idx,rsmi,psmi,rinchi,pinchi,dE0,dHrxn298,rmg_family
0,[C:1]([c:2]1[n:3][o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]=[O:4])=[N+:6]=[N-:5])([H:7])([H:8])[H:9],InChI=1S/C2H3N3O/c1-2-3-5-6-4-2/h1H3,InChI=1S/C2H3N3O/c1-2(4-3)5-6/h1H3,48.73925,21.402279999999998,
1,[C:1]([c:2]1[n:3][o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:3]=[C:2]=[N:6][N:5]=[O:4])([H:7])([H:8])[H:9],InChI=1S/C2H3N3O/c1-2-3-5-6-4-2/h1H3,InChI=1S/C2H3N3O/c1-3-2-4-5-6/h1H3,74.31711,21.5745,
2,[C:1]([O:2][C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:7])[O:2][C:3]([H:9])([H:10])[C:4]1([H:11])[H:12].[O:5]([H:8])[H:13],"InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3",InChI=1S/C3H6O.H2O/c1-2-4-3-1;/h1-3H2;1H2,102.81328,13.09638,
3,[C:1]([O:2][C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][H:13])([H:6])([H:7])[H:8].[C:3]1([H:9])([H:10])[C:4]([H:11])([H:12])[O:5]1,"InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3","InChI=1S/C2H4O.CH4O/c1-2-3-1;1-2/h1-2H2;2H,1H3",76.92773000000001,27.94548,
4,[C:1]([O:2][C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][H:13])([H:6])([H:7])[H:8].[C:3]([C:4](=[O:5])[H:12])([H:9])([H:10])[H:11],"InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3","InChI=1S/C2H4O.CH4O/c1-2-3;1-2/h2H,1H3;2H,1H3",72.31295,1.3899,
6,[C:1]([O:2][C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][C:3](=[C:4]([H:11])[H:12])[H:10])([H:6])([H:7])[H:8].[O:5]([H:9])[H:13],"InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3","InChI=1S/C3H6O.H2O/c1-3-4-2;/h3H,1H2,2H3;1H2",71.88139,9.16194,"1,3_Insertion_ROR"
7,[O:1]=[C:2]([N:3]=[N+:4]=[N-:5])[H:6],[C:2](#[N:3])[H:6].[O:1]=[N+:5]=[N-:4],InChI=1S/CHN3O/c2-4-3-1-5/h1H,InChI=1S/CHN.N2O/c1-2;1-2-3/h1H;,56.2613,8.42718,
8,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:7])([H:8])[C@:2]([C:3]([H:10])([H:11])[H:12])([H:9])[C:6]([H:15])([H:16])[C:5]([H:13])([H:14])[C:4]1,"InChI=1S/C6H10/c1-2-6-3-5(1)4-6/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-6-4-2-3-5-6/h6H,2,4-5H2,1H3/t6-/m0/s1",76.04024,54.00063000000001,
9,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1](=[C:4]([C:5]([C:6]([C:2](=[C:3]([H:10])[H:11])[H:9])([H:15])[H:16])([H:13])[H:14])[H:12])([H:7])[H:8],"InChI=1S/C6H10/c1-2-6-3-5(1)4-6/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2",79.00832,6.59273,
10,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:7])([H:8])[C@:3]2([H:10])[C:2]([H:9])=[C:6]([H:15])[C:5]([H:13])([H:14])[C@:4]12[H:12].[H:11][H:16],"InChI=1S/C6H10/c1-2-6-3-5(1)4-6/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H8.H2/c1-2-5-4-6(5)3-1;/h1-2,5-6H,3-4H2;1H/t5-,6+;/m0./s1",114.75238,22.2928,
11,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2][C:3]([H:10])([H:11])[C:4]1([C:5]([C:6]([H:9])([H:15])[H:16])([H:13])[H:14])[H:12],"InChI=1S/C6H10/c1-2-6-3-5(1)4-6/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-2-6-4-3-5-6/h6H,2,4-5H2,1H3",83.7696,78.67993,
12,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1]([c:2]1[n:3]([H:9])[c:4]([H:8])[n:5][n:6]1)[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",60.50253000000001,7.41321,
13,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1]([C:2]1=[N+:5]([N-:6][H:9])[C:4]([H:8])=[N:3]1)[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-5-1-4-2(5)6/h1,3H,(H,4,6)",115.89412,107.31071999999999,
14,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1]([C@@:2]1([H:9])[N:3]=[C:4]([H:8])[N:5]=[N:6]1)[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1-2,6H/t2-/m0/s1",60.50948,42.16648,
15,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1]([c:2]1[n:3][c:4]([H:8])[n:5]([H:9])[n:6]1)[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",49.75781,1.1839,
16,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1]([C:2]([N:3]=[C:4]=[N:5][H:8])=[N:6][H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-1-5-2(4)6/h3H,(H2,4,6)",77.76216,5.86956,
17,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",43.17672,-5.72042,ketoenol
18,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1]([C:2]1=[N:3][C@@:4]1(/[N:5]=[N:6]/[H:9])[H:8])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-5-1-2(6)4-1/h1,3H,(H,4,6)/b5-3+/t1-/m1/s1",113.19787,73.60699,
19,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1]([C:2]([N+:3]#[C:4][H:8])[N:6]([N-:5])[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H2N3O/c1-4-2(6)5-3/h1H,(H,5,6)/q-1/p+1",122.49667,117.01266000000001,
20,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[C:4](#[N+:5][N-:6][H:9])[H:8].[O:1]([C:2]#[N:3])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",InChI=1S/CH2N2.CHNO/c1-3-2;2-1-3/h1-2H;3H,101.82925,86.05471999999999,
22,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1](/[C:2]([N:3]1[C:4]([H:8])=[N:5]1)=[N:6]\[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-2(6)5-1-4-5/h1H,(H2,3,6)",97.52797,69.71840999999999,
23,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[C:2]1([H:8])=[C:6]([H:16])[C:5]([H:13])([H:14])[C:4]([H:11])([H:12])[C:3]1([H:9])[H:10].[O:1]([H:7])[H:15],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H8.H2O/c1-2-4-5-3-1;/h1-2H,3-5H2;1H2",63.9273,10.42021,"1,3_Insertion_ROR"
24,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14].[O:1]([C:2]([C:3](=[C:4]([H:11])[H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h2,4H,1,3H2;1-2H2",114.09088,41.27805,
25,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[H:7][H:12].[O:1]=[C:2]([C:6]([C:5]([C:4](=[C:3]([H:9])[H:10])[H:11])([H:13])[H:14])([H:15])[H:16])[H:8],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2/c1-2-3-4-5-6;/h2,5H,1,3-4H2;1H",90.67834,34.41599,
26,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[C:4](=[C:5]([H:13])[H:14])([H:11])[H:12].[O:1]([C:2](=[C:3]([H:9])[H:10])[C:6]([H:8])([H:15])[H:16])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C3H6O.C2H4/c1-3(2)4;1-2/h4H,1H2,2H3;1-2H2",111.2535,29.31387,
27,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[C@:2]12([H:8])[C:3]([H:9])([H:10])[C@@:4]1([H:11])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16].[O:1]([H:7])[H:12],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H8.H2O/c1-2-5-3-4(1)5;/h4-5H,1-3H2;1H2/t4-,5+;",99.24410999999999,37.78614,
28,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[C:3](=[C:4]([H:11])[H:12])([H:9])[H:10].[O:1](/[C:2](=[C:6](\[C:5]([H:13])([H:14])[H:15])[H:16])[H:8])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h2-4H,1H3;1-2H2/b3-2-;",114.11493999999999,34.4996,
29,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[H:10][H:14].[O:1]([C@:2]1([H:8])[C:3]([H:9])=[C:4]([H:11])[C:5]([H:12])([H:13])[C:6]1([H:15])[H:16])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2/c6-5-3-1-2-4-5;/h1,3,5-6H,2,4H2;1H/t5-;/m1./s1",114.07555,28.256709999999998,
30,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[O:1]([C:2]1([C:6]([C:5]([H:8])([H:13])[H:14])([H:15])[H:16])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3",125.27842,20.38128,
31,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[H:8][H:15].[O:1]([C:2]1=[C:6]([H:16])[C:5]([H:13])([H:14])[C:4]([H:11])([H:12])[C:3]1([H:9])[H:10])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2/c6-5-3-1-2-4-5;/h3,6H,1-2,4H2;1H",123.0848,23.721410000000002,
32,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[O:1]=[C:2]([C:6]([C:5]([C:4]([C:3]([H:7])([H:9])[H:10])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16])[H:8],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3",77.99404,4.081919999999999,
33,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[H:7][H:9].[O:1]=[C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:8],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2/c6-4-5-2-1-3-5;/h4-5H,1-3H2;1H",105.80298,36.84059,
34,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[H:11][H:13].[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:12])=[C:5]([H:14])[C:6]1([H:15])[H:16])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2/c6-5-3-1-2-4-5;/h1-2,5-6H,3-4H2;1H",119.29682,27.8675,
35,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[O:1]([C:6]([C:5]([C:4]([C:3]([C:2][H:8])([H:9])[H:10])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-2-3-4-5-6/h1,6H,2-5H2",118.42358,96.2675,
36,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[O:1]([C@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]1([C:5]([C:6]([H:12])([H:15])[H:16])([H:13])[H:14])[H:11])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1",125.45361000000001,22.825689999999998,
37,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[C:3]1([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16].[O:1]([C:2][H:8])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2",InChI=1S/C4H8.CH2O/c1-2-4-3-1;1-2/h1-4H2;1-2H,140.80727,95.42782,
38,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[O:1]([C:4]([C:5]([C:6]([C:2](=[C:3]([H:9])[H:10])[H:8])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2",110.22928,17.62999,
39,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([O:6]/[C:5](=[N:4]\[H:11])[H:12])([H:7])([H:8])[H:9].[N:2]#[C:3][H:10],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C2H5NO.CHN/c1-4-2-3;1-2/h2-3H,1H3;1H/b3-2-;",117.85243999999999,29.51482,
40,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[N+:4](=[C-:5][O:6][H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2,5-6H,1H3/b4-2+",72.89657,35.65031,
41,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N+:2](=[C-:3][N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-4-2-5-3-6/h3-4H,1H3,(H,5,6)",70.74973,24.67833,
42,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](\[O:6]/[C:5](=[N:4]/[H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-5-3-6-2-4/h2-4H,1H3/b4-2+,5-3-",53.99448,19.06468,ketoenol
43,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([N:2](/[C:3](=[N:4]/[H:11])[H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C2H6N2.CO/c1-4-2-3;1-2/h2H,1H3,(H2,3,4);",44.26566,9.9785,
44,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9].[N:2]#[C:3][H:10],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C2H5NO.CHN/c1-3-2-4;1-2/h2H,1H3,(H,3,4);1H",106.00344,11.064969999999999,
45,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]1[C@:3]2([H:10])[N:4]([H:11])[C@:5]2([H:12])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-5-2-3(4-2)6-5/h2-4H,1H3/t2-,3+/m0/s1",122.88391999999999,92.1776,
46,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:1]([N+:2](=[C:3]([N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])[H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-4H,1H2,(H,5,6)",79.05020999999999,44.3368,
47,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[N:2][C:3]([N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])[H:10])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-4-2-5-3-6/h3H,1-2H2,(H,5,6)",81.96947,12.1507,
48,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2](/[C:3](=[N:4]/[C:5](=[O:6])[H:12])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)",44.2551,4.36875,
49,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[N:4]=[C:5](/[O:6][H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)",46.77138,13.81979,ketoenol
50,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[N:2][C@:3]1([H:10])[N:4]([H:11])[C@@:5]1([O:6][H:7])[H:12])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-4-2-3(6)5-2/h2-3,5-6H,1H2/t2-,3-/m1/s1",88.94986,40.15461,
51,[C:1]([O:2][C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([N:6]=[C:5]=[C:4]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-3-5-4-6-2/h1,4H2,2H3",79.49615,26.89508,
52,[C:1]([O:2][C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:12])([H:7])([H:8])[H:9].[C:3](=[C:4]([C:5]#[N:6])[H:13])([H:10])[H:11],"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3","InChI=1S/C3H3N.CH4O/c1-2-3-4;1-2/h2H,1H2;2H,1H3",59.222640000000006,15.71096,"1,3_Insertion_ROR"
53,[C:1]([O:2][C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([N+:6]#[C-:5])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-5-3-4-6-2/h3-4H2,2H3",60.515159999999995,23.2551,
54,[C:1]([O:2][C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([N:6]=[C:5]=[C:4]([H:12])[H:13])([H:7])([H:8])[H:9].[O:2]=[C:3]([H:10])[H:11],"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3","InChI=1S/C3H5N.CH2O/c1-3-4-2;1-2/h1H2,2H3;1H2",95.38943,35.66055,
55,[C:1]([O:2][C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[C:5](#[N:6])[H:10],"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3","InChI=1S/C3H6O.CHN/c1-3-4-2;1-2/h3H,1H2,2H3;1H",98.14416,25.508770000000002,
56,[C:1]([O:2][C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:9])([H:11])[O:5]1)([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3","InChI=1S/C3H6O2/c1-4-3-2-5-3/h3H,2H2,1H3/t3-/m1/s1",66.00755,14.6645,
57,[C:1]([O:2][C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[O+:2][C:3](=[C:4]([O-:5])[H:11])[H:10])([H:6])[H:8].[H:7][H:9],"InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3","InChI=1S/C3H4O2.H2/c1-5-3-2-4;/h2-3H,1H2;1H",78.09619,71.28694,
58,[C:1]([O:2][C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][C:3]([O+:5]=[C-:4][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3","InChI=1S/C3H6O2/c1-4-3-5-2/h1H,3H2,2H3",103.11113,58.74233,
59,[C:1]([O:2][C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][O:5][C:4](=[C:3]([H:9])[H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3","InChI=1S/C3H6O2/c1-3-5-4-2/h3H,1H2,2H3",101.92902,58.63021,ketoenol
60,[C:1]([O:2][C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[O:2])([H:6])[H:8].[C:3](=[C:4]([O:5][H:7])[H:11])([H:9])[H:10],"InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3","InChI=1S/C2H4O.CH2O/c1-2-3;1-2/h2-3H,1H2;1H2",60.09545,11.961969999999999,Retroene
61,[C:1]([O:2][C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C+:1]([C@:4]([C:3]([O:2][H:7])([H:9])[H:10])([O-:5])[H:11])([H:6])[H:8],"InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3","InChI=1S/C3H6O2/c1-3(5)2-4/h3-4H,1-2H2/t3-/m1/s1",88.90385,78.97395,
62,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[N:6])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([N+:6]#[C-:5])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3","InChI=1S/C5H9N/c1-5(2)4-6-3/h5H,4H2,1-2H3",60.155,22.81109,
63,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[N:6])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[H:10])([H:7])[H:8].[C:4]1([H:14])([H:15])[C:5]([H:9])=[N:6]1,"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3","InChI=1S/C3H6.C2H3N/c1-3-2;1-2-3-1/h3H,1H2,2H3;1H,2H2",109.65297,69.28084,
64,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[N:6])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:5]([C:4]([C:3]([H:11])([H:12])[H:13])([H:14])[H:15])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3","InChI=1S/C5H9N/c1-3-5-4(2)6-5/h4H,3H2,1-2H3/t4-/m1/s1",151.4823,37.6854,
65,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[N:6])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([N:6]=[C:5]=[C:4]([H:14])[H:15])([H:11])[H:13])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3","InChI=1S/C5H9N/c1-3-5-6-4-2/h2-3,5H2,1H3",100.60551,30.710240000000002,
66,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[N:6])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[C:5]=[N:6][H:15])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3","InChI=1S/C5H9N/c1-5(2)3-4-6/h3,5-6H,1-2H3",94.16727,25.19379,
67,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[N:6])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[N:6][H:13])([H:14])[H:15],"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3","InChI=1S/C3H6.C2H3N/c1-3-2;1-2-3/h3H,1H2,2H3;3H,1H2",68.94008000000001,46.03988,Retroene
68,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[N:6])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])/[C:5](=[N:6]/[H:13])[C:4]1([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3","InChI=1S/C5H9N/c1-4-2-5(6)3-4/h4,6H,2-3H2,1H3/b6-5-",101.55936,21.66295,
69,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[N:6])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:6]([H:13])[C:5][C:4]1([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3","InChI=1S/C5H9N/c1-5-2-3-6-4-5/h5-6H,2,4H2,1H3/t5-/m1/s1",97.58194,44.531890000000004,
70,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[N:6])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([C:5]#[N:6])[H:14])([H:7])([H:8])[H:9].[H:10][H:15],"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3","InChI=1S/C5H7N.H2/c1-5(2)3-4-6;/h3H,1-2H3;1H",99.11556999999999,24.523120000000002,
71,[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([O+:5]=[C-:4][H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-3-4-5-2/h2H,3-4H2,1H3",115.29463,65.30041,
72,[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:6])([H:7])[H:8].[C:4](=[O:5])([H:9])[H:13],"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3","InChI=1S/C3H6.CH2O/c1-3-2;1-2/h3H,1H2,2H3;1H2",75.35295,29.44015,
73,[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:6])[H:8].[C:3](=[C:4]([O:5][H:7])[H:13])([H:11])[H:12],"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3","InChI=1S/C2H4O.C2H4/c1-2-3;1-2/h2-3H,1H2;1-2H2",61.46808000000001,32.660990000000005,Retroene
74,[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:11].[C:2](=[C:3]([C:4](=[O:5])[H:13])[H:12])([H:9])[H:10],"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3","InChI=1S/C3H4O.CH4/c1-2-3-4;/h2-3H,1H2;1H4",94.71096999999999,19.35406,
75,[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C-:4]#[O+:5].[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3","InChI=1S/C3H8.CO/c1-3-2;1-2/h3H2,1-2H3;",86.78520999999999,-2.05361,"1,2_Insertion_CO"
76,[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([O:5][C:4](=[C:3]([H:11])[H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3",94.35816,17.389020000000002,ketoenol
77,[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2](/[C:3](=[C:4](\[O:5][H:11])[H:13])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-2-3-4-5/h3-5H,2H2,1H3/b4-3-",71.6976,8.734110000000001,ketoenol
78,[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([O:5][H:9])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4+/m0/s1",92.68137,18.2289,
79,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:6][C:5]([H:11])=[N:4][C:3]1([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)",44.18246,4.69183,
80,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:6][C@:3]1(/[C:5](=[N:4]/[H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-1-2-3(5)6-2/h1-2,4H,(H2,5,6)/b4-1+/t2-/m0/s1",105.91572,44.611259999999994,
81,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:8])([H:9])[N:4]([H:10])[C:5]([H:11])=[N:6]1)\[H:7],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)",74.84423000000001,9.63434,
82,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1]([C@@:2]1(/[C:3](=[N:4]/[H:10])[H:9])[C:5]([H:11])=[N:6]1)([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-1-3(5)2-6-3/h1-2,4H,5H2/b4-1+/t3-/m1/s1",104.41515,57.19236,
83,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[C:5](#[N:6])[H:11].[N:1]([C:2]/[C:3](=[N:4]/[H:10])[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C2H4N2.CHN/c3-1-2-4;1-2/h1,3H,4H2;1H/b3-1+;",89.42296999999999,75.11845,
84,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[N:4]([H:10])[C:5][N:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1,5-6H,4H2",68.92235,31.38488,
85,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N+:1]([c:2]1[c-:3][n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H4N3/c4-3-1-5-2-6-3/h2H,4H2,(H,5,6)/q-1/p+1",75.93412,63.637080000000005,
86,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1](=[C:2]1[C-:3]([H:9])[N+:4]([H:8])([H:10])[C:5]([H:11])=[N:6]1)[H:7],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2,4H,5H2",128.77572,75.26184,
87,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:6][C:5]([H:10])([H:11])[N:4]=[C:3]1[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1H,2H2,(H2,4,6)",42.745309999999996,9.02168,
88,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N-:1]([c:2]1[c:3]([H:9])[n+:4]([H:10])[c:5]([H:11])[n:6]1[H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H4N3/c4-3-1-5-2-6-3/h1-2,4H,(H,5,6)/q-1/p+1",60.48689,31.139029999999998,
89,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1]([C:2]#[N+:6][C-:5]([N+:4](=[C-:3][H:9])[H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c1-5-3-6-2-4/h1,3,5H,4H2",99.91812,95.36773000000001,
90,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1]([C@:2]1([H:9])[C-:3]=[N+:4]([H:10])[C:5]([H:11])=[N:6]1)([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2-3,5H,4H2/t3-/m0/s1",61.83322,56.64825,Singlet_Carbene_Intra_Disproportionation
91,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1]([C:2](/[C:3](=[N:4]/[H:10])[H:9])=[N+:6]=[C-:5][H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c1-6-3(5)2-4/h1-2,4H,5H2/b4-2+",70.38105999999999,66.76689,
92,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@@:4]([H:12])([C:5]1([H:11])[H:13])[N:6]23,"InChI=1S/C5H7N/c1-3-2-5-4(1)6(3)5/h3-5H,1-2H2/t3-,4+,5-,6?","InChI=1S/C5H7N/c1-2-4-5-3(1)6(4)5/h3-5H,1-2H2/t3-,4+,5-,6?",69.84855999999999,-15.66017,
93,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[N:6]23,[C:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C:4]([H:11])([H:12])[C:5]([H:8])([H:13])[N:6]12)[H:7],"InChI=1S/C5H7N/c1-3-2-5-4(1)6(3)5/h3-5H,1-2H2/t3-,4+,5-,6?","InChI=1S/C5H7N/c1-4-5-2-3-6(4)5/h1,4-5H,2-3H2/t4-,5+,6?/m0/s1",90.25,73.9041,
94,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]([H:10])([C:4]([H:11])([H:12])[C:5]1)[N:6]2[H:13],"InChI=1S/C5H7N/c1-3-2-5-4(1)6(3)5/h3-5H,1-2H2/t3-,4+,5-,6?","InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h4-6H,2-3H2/t4-,5+",69.70489,41.4061,
95,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C@:2]([C:3](=[C:4]([H:11])[H:12])[H:10])([H:9])[N:6]=[C:5]1[H:13],"InChI=1S/C5H7N/c1-3-2-5-4(1)6(3)5/h3-5H,1-2H2/t3-,4+,5-,6?","InChI=1S/C5H7N/c1-2-5-3-4-6-5/h2,4-5H,1,3H2/t5-/m1/s1",57.218419999999995,-16.76321,
96,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[N:6]23,[C:1](=[C:5]([C:4]([C@:3]1([H:10])[C:2]([H:9])=[N:6]1)([H:11])[H:12])[H:13])([H:7])[H:8],"InChI=1S/C5H7N/c1-3-2-5-4(1)6(3)5/h3-5H,1-2H2/t3-,4+,5-,6?","InChI=1S/C5H7N/c1-2-3-5-4-6-5/h2,4-5H,1,3H2/t5-/m1/s1",75.16337,-2.5493799999999998,
97,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[N:6]23,[C:1]([C:2][H:9])([C@:5]1([H:13])[C:4]([H:11])([H:12])[C:3]([H:10])=[N:6]1)([H:7])[H:8],"InChI=1S/C5H7N/c1-3-2-5-4(1)6(3)5/h3-5H,1-2H2/t3-,4+,5-,6?","InChI=1S/C5H7N/c1-2-5-3-4-6-5/h1,4-5H,2-3H2/t5-/m1/s1",69.22295,60.17846,
98,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[N:6]2[H:9],"InChI=1S/C5H7N/c1-3-2-5-4(1)6(3)5/h3-5H,1-2H2/t3-,4+,5-,6?","InChI=1S/C5H7N/c1-2-5-3-4(1)6-5/h4-6H,1,3H2/t4-,5+/m1/s1",58.7018,50.52749,
99,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[N:6]23,[C:1]1([H:7])=[C:2]([H:9])[N:6]2[C:3]([H:8])([H:10])[C:4]([H:11])([H:12])[C@@:5]12[H:13],"InChI=1S/C5H7N/c1-3-2-5-4(1)6(3)5/h3-5H,1-2H2/t3-,4+,5-,6?","InChI=1S/C5H7N/c1-3-6-4-2-5(1)6/h1,3,5H,2,4H2/t5-/m1/s1",101.71074,2.0139299999999998,
100,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C:2][C@@:6]2([H:13])[C@@:4]([H:11])([C:3]1([H:9])[H:10])[N:5]2[H:12],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h4-6H,1-2H2/t4-,5+/m1/s1",54.69704,21.52974,
101,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]([C@:3]1([H:10])[C:2]([H:9])=[C:6]([H:13])[N:5]=[C:4]1[H:11])([H:7])([H:8])[H:12],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-5H,1H3/t5-/m1/s1",63.46416,-61.04826,
102,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1](=[C:3]([C@@:4]1([H:11])[N:5]([H:12])[C@:6]1([C:2][H:9])[H:13])[H:10])([H:7])[H:8],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-3-5-4(2)6-5/h2-6H,1H2/t4-,5+/m0/s1",58.275319999999994,43.44123,
103,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C:4]([H:11])([H:13])[N:5]([H:12])[C:6]2,"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-4-2-6-3-5(1)4/h4-6H,1-2H2/t4-,5+/m0/s1",57.68376,-18.95415,
104,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@:4]2([N:5]([C:6][H:13])[H:12])[H:11],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-6-5-3-2-4(3)5/h1,3-6H,2H2/t3-,4+,5-",62.51755,22.50882,
105,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])=[C:2]([H:9])[C:3]1([C@@:4]1([H:11])[N:5]=[C:6]1[H:13])[H:10].[H:8][H:12],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+",InChI=1S/C5H5N.H2/c1-2-4(1)5-3-6-5;/h1-5H;1H/t5-;/m0./s1,82.88329,38.70532,
106,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N+:5]1([H:12])[C-:4]([H:11])[C@:6]21[H:13],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h2-6H,1H2/t3-,4+,5+/m0/s1",110.99342,41.81343,
107,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C:2]([C@@:6]2([H:13])[C:4][N:5]2[H:12])([H:9])[C:3]1([H:10])[H:11],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-2-4(1)5-3-6-5/h4-6H,1-2H2/t5-/m1/s1",63.62008,13.90494,
108,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C:2][C@@:3]1([C@@:4]1([H:11])[N:5]([H:12])[C:6]1([H:9])[H:13])[H:10],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-2-4(1)5-3-6-5/h4-6H,1,3H2/t4-,5+/m1/s1",68.76552,50.43005,
109,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@:4]([N:5]([H:12])[H:13])([H:11])[C:6]2,"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c6-5-2-3-1-4(3)5/h3-5H,1,6H2/t3-,4-,5+/m1/s1",60.9201,27.256429999999998,
110,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:6]([H:13])[C@@:4]2([H:11])[C@:3]1([H:10])[N:5]2[H:12],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m0/s1",53.1846,-42.90005,
111,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C:4]([H:11])=[N:5][C:6]2([H:12])[H:13],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-4-2-6-3-5(1)4/h2,4-5H,1,3H2/t4-,5+/m0/s1",52.1155,-52.357479999999995,
112,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:6]([H:13])[N:5]([H:12])[C:4]([H:11])=[C:3]1[H:10],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-2-4-6-5-3-1/h2-6H,1H2",49.2582,-62.34073000000001,
113,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]([C@:3]1([H:10])[C@@:2]2([H:9])[C@:4]1([H:11])[N:5]=[C:6]2[H:13])([H:7])([H:8])[H:12],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-3-4-2-6-5(3)4/h2-5H,1H3/t3-,4+,5-/m1/s1",63.427859999999995,-17.16613,
114,[O:1]=[c:2]1[o:3][c:4]([H:7])[c:5]([H:8])[o:6]1,[C:4](=[C:5]=[O:6])([H:7])[H:8].[O:1]=[C:2]=[O:3],InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H,InChI=1S/C2H2O.CO2/c1-2-3;2-1-3/h1H2;,60.316340000000004,-12.39787,
115,[O:1]=[c:2]1[o:3][c:4]([H:7])[c:5]([H:8])[o:6]1,[O:1]=[C:2]1[C@:5]([C:4](=[O:3])[H:7])([H:8])[O:6]1,InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H,InChI=1S/C3H2O3/c4-1-2-3(5)6-2/h1-2H/t2-/m1/s1,63.88219,31.7678,ketoenol
116,[O:1]=[c:2]1[o:3][c:4]([H:7])[c:5]([H:8])[o:6]1,[O:1]=[C:2]1[O+:3]=[C-:4][C:5]([H:7])([H:8])[O:6]1,InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H,InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1H2,60.08445,43.83507,Singlet_Carbene_Intra_Disproportionation
117,[O:1]=[c:2]1[o:3][c:4]([H:7])[c:5]([H:8])[o:6]1,[O:1]=[C:2]([O:3][H:7])[O:6][C:5](=[C:4])[H:8],InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H,"InChI=1S/C3H2O3/c1-2-6-3(4)5/h2H,(H,4,5)",93.20484,80.61308000000001,
118,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[C:5](=[O:6])([H:10])[H:11].[N:1](=[C:2](/[C:3](=[O:4])[H:8])[H:9])\[H:7],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-",InChI=1S/C2H3NO.CH2O/c3-1-2-4;1-2/h1-3H;1H2/b3-1+;,80.68522,32.22009,
119,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2](\[O:6][C:5]([O+:4]=[C-:3][H:9])([H:10])[H:11])[H:8])\[H:7],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C3H5NO2/c1-5-3-6-2-4/h1-2,4H,3H2/b4-2-",92.61778000000001,68.32918000000001,
120,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[H:8][H:9].[N:1](=[C:2]1/[C-:3]=[O+:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C3H3NO2.H2/c4-3-1-5-2-6-3;/h4H,2H2;1H/b4-3-;",86.56801999999999,71.38051999999999,
121,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]1([H:7])[C:2](=[O:6])[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C3H5NO2/c5-3-1-6-2-4-3/h1-2H2,(H,4,5)",61.6938,-12.73784,ketoenol
122,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]#[C:2][C:3]([O:4][C:5]([O:6][H:7])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C3H5NO2/c4-1-2-6-3-5/h5H,2-3H2",67.57405,6.3697,
123,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]1([H:7])[C:2]2([C:3]1([H:8])[H:9])[O:4][C:5]([H:10])([H:11])[O:6]2,"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C3H5NO2/c1-3(4-1)5-2-6-3/h4H,1-2H2",101.47702,40.744479999999996,
124,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2](/[C:3]([O+:4]=[C-:5][H:11])([H:8])[H:9])[O:6][H:10])\[H:7],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C3H5NO2/c1-6-2-3(4)5/h1H,2H2,(H2,4,5)",82.17999,62.176159999999996,
125,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2](/[C:3]([O:4][H:11])([H:8])[H:9])[O+:6]=[C-:5][H:10])\[H:7],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C3H5NO2/c1-6-3(4)2-5/h1,4-5H,2H2/b4-3-",77.03468000000001,64.4521,
126,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]([C:2]1=[C:3]([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h1H,2,4H2",75.44048000000001,15.512270000000001,
127,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]1([H:7])[C:2](=[O:6])[C:3]1([H:8])[H:9].[O:4]=[C:5]([H:10])[H:11],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C2H3NO.CH2O/c4-2-1-3-2;1-2/h1H2,(H,3,4);1H2",63.7454,39.94513,
128,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[N:6])[H:7],[O:1]([C+:2]=[C:3]([O-:4])[C:5]#[N:6])[H:7],InChI=1S/C3HNO2/c4-1-3(6)2-5/h2H,"InChI=1S/C3HNO2/c4-1-3(6)2-5/h(H-,5,6)",82.61569,47.33871,
129,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[N:6])[H:7],[C:3](=[O:4])=[C:5]=[N:6][H:7].[O+:1]#[C-:2],InChI=1S/C3HNO2/c4-1-3(6)2-5/h2H,InChI=1S/C2HNO.CO/c3-1-2-4;1-2/h3H;,42.97795,34.51724,
130,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[N:6])[H:7],[O:1]=[C:2]([C:3](=[O:4])[N+:6]#[C-:5])[H:7],InChI=1S/C3HNO2/c4-1-3(6)2-5/h2H,InChI=1S/C3HNO2/c1-4-3(6)2-5/h2H,44.40801,12.80072,
131,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[N:6])[H:7],[C+:3]([O:4][H:7])=[C:5]=[N-:6].[O+:1]#[C-:2],InChI=1S/C3HNO2/c4-1-3(6)2-5/h2H,InChI=1S/C2HNO.CO/c3-1-2-4;1-2/h4H;,53.928819999999995,41.13409,
132,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[N:6])[H:7],[O:1]=[C:2]([O+:4]=[C:3]=[C:5]=[N-:6])[H:7],InChI=1S/C3HNO2/c4-1-3(6)2-5/h2H,InChI=1S/C3HNO2/c4-1-2-6-3-5/h3H,47.69259,46.42048,
133,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]=[C:2]=[C:3]([C@@:4]1([H:9])[O:5][C:6]1([H:8])[H:10])[H:7],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c5-2-1-4-3-6-4/h1,4H,3H2/t4-/m1/s1",88.88715,-4.23917,
134,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O-:1][C:2]1=[C+:6][C@@:4]([O:5][H:10])([H:9])[C:3]1([H:7])[H:8],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c5-3-1-4(6)2-3/h3,5H,1H2/t3-/m1/s1",69.1321,64.94909,
135,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]=[C:2]1[C:3]([H:7])([H:8])[O:5][C@@:6]1([C:4][H:9])[H:10],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c1-3-4(5)2-6-3/h1,3H,2H2/t3-/m1/s1",106.85146,71.92083000000001,
136,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]1[C:2](=[C:3]([H:7])[H:8])[C@@:6]1([C:4](=[O:5])[H:9])[H:10],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c1-3-4(2-5)6-3/h2,4H,1H2/t4-/m0/s1",62.105709999999995,2.06423,
137,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]=[C:2]([C@@:6]1([H:10])[C:3]([H:7])=[C:4]([H:9])[O:5]1)[H:8],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1",InChI=1S/C4H4O2/c5-3-4-1-2-6-4/h1-4H/t4-/m1/s1,87.45945999999999,4.41054,
138,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O-:1][C:2]1=[C:6]=[O+:5][C:4]([H:9])([H:10])[C:3]1([H:7])[H:8],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1",InChI=1S/C4H4O2/c5-4-1-2-6-3-4/h1-2H2,64.77809,17.101689999999998,
139,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]=[C:2]([C:3]([H:7])([H:8])[H:9])[C@@:6]1([H:10])[C-:4]=[O+:5]1,"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c1-3(5)4-2-6-4/h4H,1H3/t4-/m1/s1",65.69703,25.045070000000003,
140,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@:4]1([O+:5]=[C-:6][H:10])[H:9],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c1-6-4-2-3(4)5/h1,4H,2H2/t4-/m1/s1",92.01866,68.22934000000001,
141,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]([C:2]1=[C:6]2[C@@:4]([H:9])([C:3]1([H:7])[H:8])[O:5]2)[H:10],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3,5H,1H2/t3-/m1/s1",80.96717,54.56123,ketoenol
142,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4][C@:6]1([O:5][H:9])[H:10],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c5-3-1-2-4(3)6/h4,6H,1H2/t4-/m1/s1",67.31358,63.638119999999994,
143,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]=[C:2]=[C:6]([O:5][C:4](=[C:3]([H:7])[H:8])[H:9])[H:10],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c1-2-6-4-3-5/h2,4H,1H2",34.789229999999996,2.05262,
144,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]([C:2]1=[C:3]([H:7])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10])[H:8],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h1,3-5H/t3-,4+/m1/s1",80.5518,25.92901,ketoenol
145,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O+:1](=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:6]1[H:10])[O-:5],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c5-6-4-2-1-3-4/h1-2H,3H2",144.15191000000002,80.66156,
146,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:6]1([C:4](=[O:5])[H:9])[H:10],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c5-2-3-1-4(3)6/h2-3H,1H2/t3-/m1/s1",54.822990000000004,-8.01607,
147,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]=[C:2](/[C:3](=[C:4](\[C:6](=[O:5])[H:10])[H:9])[H:7])[H:8],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1",InChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H/b2-1-,88.91981,-22.70634,
148,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C-:4]=[O+:5][C:6]1([H:9])[H:10],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c5-4-1-2-6-3-4/h1,3H2",59.8119,13.460820000000002,
149,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O-:1][C:2](=[C+:3][H:8])[C@@:6]1([H:10])[C:4]([H:7])([H:9])[O:5]1,"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c1-3(5)4-2-6-4/h1,4H,2H2/t4-/m1/s1",79.25189,68.44798,
150,[c:1]1([H:7])[n:2][n:3][c:4]([H:8])[n:5][n:6]1,[C:1](#[N:6])[H:7].[C:4](#[N:5])[H:8].[N:2]#[N:3],InChI=1S/C2H2N4/c1-3-5-2-6-4-1/h1-2H,InChI=1S/2CHN.N2/c3*1-2/h2*1H;,51.73532,-55.023340000000005,
151,[c:1]1([H:7])[n:2][n:3][c:4]([H:8])[n:5][n:6]1,[C:1](#[N+:2][N-:3][C-:4]([N+:5]#[N:6])[H:8])[H:7],InChI=1S/C2H2N4/c1-3-5-2-6-4-1/h1-2H,InChI=1S/C2H2N4/c1-4-6-2-5-3/h1-2H,62.57784,50.61823,
152,[C:1]([N:2]1[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])([H:5])([H:6])[H:7],[C:1]([N+:2]1([H:11])[C:3]([H:8])([H:9])[C-:4]1[H:10])([H:5])([H:6])[H:7],"InChI=1S/C3H7N/c1-4-2-3-4/h2-3H2,1H3","InChI=1S/C3H7N/c1-4-2-3-4/h2,4H,3H2,1H3",66.25761999999999,52.798030000000004,
153,[C:1]([N:2]1[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])([H:5])([H:6])[H:7],[C-:1]([N+:2]1=[C:3]([H:8])[C:4]1([H:10])[H:11])([H:6])[H:7].[H:5][H:9],"InChI=1S/C3H7N/c1-4-2-3-4/h2-3H2,1H3","InChI=1S/C3H5N.H2/c1-4-2-3-4;/h2H,1,3H2;1H",84.97259,70.81461999999999,
154,[C:1]([N:2]1[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])([H:5])([H:6])[H:7],[C:1]([N+:2]([C-:3]([H:8])[H:9])=[C:4]([H:10])[H:11])([H:5])([H:6])[H:7],"InChI=1S/C3H7N/c1-4-2-3-4/h2-3H2,1H3","InChI=1S/C3H7N/c1-4(2)3/h1-2H2,3H3",48.84572,23.657870000000003,
155,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C+:1]([N:2]([C:3]([N:4]([H:9])[H:11])=[C:5]([O-:6])[H:12])[H:10])([H:7])[H:8],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2,5H,1,4H2",57.01775,28.73217,
156,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([N:4]([O-:6])[H:11])=[C+:5][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-3(4-2)5-6/h1,4-5H,2H3",135.51318,132.09779,
157,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[N:4][H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:12],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C2H4N2.CH2O/c1-4-2-3;1-2/h3H,1H3;1H2",94.2338,26.1738,
158,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N+:2](=[C-:3][N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-4-2-5-3-6/h3-4H,1H3,(H,5,6)",47.72638,17.10732,
159,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[N:2](=[C:3]=[N:4][H:11])[C:5](=[O:6])[H:12],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)",InChI=1S/C2H2N2O.CH4/c3-1-4-2-5;/h2-3H;1H4,98.15486,6.79086,
160,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([H:10])[H:11])([H:7])([H:8])[H:9].[C:3](#[N:4])[C:5](=[O:6])[H:12],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C2HNO.CH5N/c3-1-2-4;1-2/h2H;2H2,1H3",62.649159999999995,25.19357,
162,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1](=[N:2][H:10])([H:7])[H:8].[C:3](=[N:4][H:11])=[C:5]([O:6][H:9])[H:12],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C2H3NO.CH3N/c3-1-2-4;1-2/h2-4H;2H,1H2",88.14843,52.30744,Retroene
163,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([c:3]1[n:4]([H:11])[o:6][c:5]1[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-4-3-2-6-5-3/h2,4-5H,1H3",95.01785,76.41530999999999,
164,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]#[N:4])[H:10])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:11])[H:12],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C2H4N2.CH2O/c1-4-2-3;1-2/h4H,1H3;1H2",85.92152,25.07304,
165,[C:1]([O:2][C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:8])[H:9].[C:3](=[O:4])([C:5]([O:6][H:12])([H:10])[H:11])[H:7],"InChI=1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3","InChI=1S/C2H4O2.CH2O/c3-1-2-4;1-2/h1,4H,2H2;1H2",79.58038,36.500679999999996,
166,[C:1]([O:2][C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][O:4][C:5]([O:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O3/c1-5-3-6-2-4/h4H,2H2,1H3",99.03694,54.50651,
167,[C:1]([O:2][C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[O:4])[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H4O3.H2/c1-6-3(5)2-4;/h2H,1H3;1H",95.66275999999999,28.07943,
168,[C:1]([O:2][C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C@:3]1([O:4][H:12])[C:5]([H:10])([H:11])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O3/c1-5-3(4)2-6-3/h4H,2H2,1H3/t3-/m1/s1",56.90831,33.77124,
169,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([O+:6]=[C-:5][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-3-6-4-5-2/h2H,3-4H2,1H3",103.24195,58.91405,
170,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3]/[C:4](=[C:5](/[O:6][H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-2-6-4-3-5/h3-5H,2H2,1H3/b4-3+",66.57978,7.55226,ketoenol
171,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]1([O:6][H:7])[H:14],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m1/s1",79.48588000000001,-4.3785099999999995,
172,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O+:3][C:4](=[C:5]([O-:6])[H:14])[H:12])[H:11])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C4H6O2.H2/c1-2-6-4-3-5;/h2-4H,1H3;1H",72.66766,64.43656,
173,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[C:2](=[O+:3][C:4](=[C:5]([O-:6])[H:14])[H:12])([H:10])[H:11],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C3H4O2.CH4/c1-5-3-2-4;/h2-3H,1H2;1H4",88.98982,62.145830000000004,
174,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([H:10])([H:11])[H:14])([H:7])([H:8])[H:9].[O:3]=[C:4]([H:12])[H:13],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3",InChI=1S/C2H6.CH2O.CO/c3*1-2/h1-2H3;1H2;,73.8059,3.6943,
175,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][O:6][C:5](=[C:4]([H:12])[H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-3-5-6-4-2/h3H,1,4H2,2H3",101.99627,59.11455,ketoenol
176,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C@:5]1([H:14])[C:4]([H:12])([H:13])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-2-5-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1",81.87701,14.78747,
177,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:11])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:10])[H:14])([H:12])[H:13],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/2C2H4O/c2*1-2-3/h2H,1H3;2-3H,1H2",59.32884,7.54259,Retroene
178,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[O:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:7],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C2H4O2.C2H4/c3-1-2-4;1-2/h1,4H,2H2;1-2H2",66.80543,17.00923,"1,3_Insertion_ROR"
179,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4](=[C:5]=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C4H6O2.H2/c1-2-6-4-3-5;/h4H,2H2,1H3;1H",79.28434,35.96067,
180,[C:1]1([H:6])([H:7])[O:2][C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]1[H:11],[C:1]1([H:6])([H:7])[O:2][C@:5]1([C:4](=[C:3]([H:8])[H:9])[H:10])[H:11],"InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2","InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2/t4-/m0/s1",79.71051,18.00134,
181,[C:1]1([H:6])([H:7])[O:2][C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]1[H:11],[C:1]([O:2][C:3]([C:4](=[C:5])[H:10])([H:8])[H:9])([H:6])([H:7])[H:11],"InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2","InChI=1S/C4H6O/c1-3-4-5-2/h3H,4H2,2H3",83.59626,78.71056,
182,[C:1]1([H:6])([H:7])[O:2][C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]1[H:11],[C:1]([O:2][H:8])(/[C:5](=[C:4](\[C:3][H:9])[H:10])[H:11])([H:6])[H:7],"InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2","InChI=1S/C4H6O/c1-2-3-4-5/h1-3,5H,4H2/b3-2-",77.19436,72.45548000000001,
183,[C:1]1([H:6])([H:7])[O:2][C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]1[H:11],[C:1]1([H:6])([H:7])[O+:2]=[C-:3][C:4]([H:10])=[C:5]1[H:11].[H:8][H:9],"InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2","InChI=1S/C4H4O.H2/c1-2-4-5-3-1;/h1-2H,3H2;1H",80.12095,60.68337,
184,[C:1]1([H:6])([H:7])[O:2][C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]1[H:11],[C:1]1([H:6])=[C:5]=[C:4]([H:10])[C:3]([H:8])([H:9])[O:2]1.[H:7][H:11],"InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2","InChI=1S/C4H4O.H2/c1-2-4-5-3-1;/h1,4H,3H2;1H",100.84867,75.83479,
185,[C:1]1([H:6])([H:7])[O:2][C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]1[H:11],[C:1]1([H:6])([H:7])[O:2][C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1,"InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2","InChI=1S/C4H6O/c1-2-4-5-3-1/h1,3-4H2",65.18741999999999,63.636759999999995,Singlet_Carbene_Intra_Disproportionation
186,[C:1]1([H:6])([H:7])[O:2][C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]1[H:11],[C:1]([C:5]#[C:4][H:10])([H:6])([H:7])[H:11].[O:2]=[C:3]([H:8])[H:9],"InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2","InChI=1S/C3H4.CH2O/c1-3-2;1-2/h1H,2H3;1H2",107.31336,33.187509999999996,
187,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([c:2]1[n:3]([H:10])[c-:4][c:5]([H:11])[o+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h3,5H,1H3",86.79656,48.95367,
188,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[N+:3][C:4](=[C:5]([O-:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-2-5-3-4-6/h3-4H,1H3",46.36871,45.40178,
189,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C-:5]=[O+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2H2,1H3",62.8339,53.31352,Singlet_Carbene_Intra_Disproportionation
190,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]([H:7])[C:4]([H:10])=[C:5]([H:11])[O:6]1)([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3,5H,1H2",78.00197,25.63156,
191,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]=[C:4]=[C:5]([H:10])[H:11])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-3-5-4(2)6/h1H2,2H3",81.39374000000001,20.57175,
192,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]=[C:4]([H:10])[C:5]([H:7])([H:11])[O:6]1)([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2H,1,3H2",91.9982,21.366889999999998,
193,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([N:3]=[C:2]=[O:6])([H:7])([H:8])[H:9].[C:4](#[C:5][H:11])[H:10],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3",InChI=1S/C2H3NO.C2H2/c1-3-2-4;1-2/h1H3;1-2H,112.79941000000001,43.55015,
194,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:3][C@@:4]1([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-3-4(2-6)5-3/h2,4H,1H3/t4-/m1/s1",78.61878,40.11026,ketoenol
195,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[N-:3][C:4]([H:10])=[C:5]=[O+:6]1)([H:8])[H:9].[H:7][H:11],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H3NO.H2/c1-4-5-2-3-6-4;/h2H,1H2;1H",136.07587,91.26720999999999,
196,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([O:6]/[C:5](=[C:4](\[N+:3]#[C-:2])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-5-3-4-6-2/h3-4H,2H3/b4-3-",116.49696999999999,47.66803,
197,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C:5]=[C:6]([O:4][H:11])[H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,4-6H,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1,4-6H,3H2",68.46408000000001,-0.76932,
198,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:8])[H:9])[H:7],[C:3]([O:4][H:7])([C:5]#[C:6][H:12])([H:10])[H:11].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,4-6H,3H2/t4-/m0/s1","InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h1,4H,3H2;1H2",97.95954,19.19503,
199,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2](/[C:3]([O:4][H:11])=[C:5](/[C:6][H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,4-6H,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h1-2,5-6H,3H2/b4-2-",69.8391,44.65757,
200,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:8])[H:9])[H:7],[C:3]([O:4][H:11])(=[C:5]=[C:6]([H:7])[H:12])[H:10].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,4-6H,3H2/t4-/m0/s1","InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h3-4H,1H2;1H2",41.502759999999995,14.86571,Retroene
201,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:8])[H:9])[H:7],[O:1](/[C:6](=[C:5]1\[C:2]([H:8])([H:9])[C@:3]1([O:4][H:11])[H:10])[H:12])[H:7],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,4-6H,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2,4-6H,1H2/b3-2+/t4-/m1/s1",72.24446,-1.21576,
202,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:8])[H:9])[H:7],[H:9][H:11].[O:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:12])([H:8])[H:10])[H:7],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,4-6H,3H2/t4-/m0/s1","InChI=1S/C4H4O2.H2/c1-2-4(6)3-5;/h1,5H,3H2;1H",91.43674,20.60415,
203,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]([O:4][H:11])([C:6](=[C:5])[H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,4-6H,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h2,4-6H,3H2/t4-/m0/s1",57.52644,46.95068,Singlet_Carbene_Intra_Disproportionation
204,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:8])[H:9])[H:7],[C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])[H:8].[O:1]([H:7])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,4-6H,3H2/t4-/m0/s1","InChI=1S/C4H4O.H2O/c1-3-4(2)5;/h1-2,4-5H;1H2/t4-;/m1./s1",82.488,7.54985,
205,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[O:1]([C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1","InChI=1S/C3H4O2/c4-1-3-2-5-3/h3-4H,2H2/t3-/m0/s1",80.96498000000001,50.83436,
206,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[O:1]=[C:2]([C@@:3]([C:4][H:9])([O:5][H:8])[H:7])[H:6],"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1","InChI=1S/C3H4O2/c1-3(5)2-4/h1-3,5H/t3-/m1/s1",73.32112,69.69428,
207,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[O+:1](=[C-:2][H:6])[C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1,"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1","InChI=1S/C3H4O2/c1-4-3-2-5-3/h1,3H,2H2/t3-/m1/s1",108.84763999999998,62.62953,
208,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[O:1](/[C:2](=[C:3]1\[C:4]([H:8])([H:9])[O:5]1)[H:6])[H:7],"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1","InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,4H,2H2/b3-1+",71.89811999999999,19.26675,ketoenol
209,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[O:1]([C-:2]([C@@:3]1([H:7])[C:4]([H:9])=[O+:5]1)[H:6])[H:8],"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1",InChI=1S/C3H4O2/c4-1-3-2-5-3/h1-4H/t3-/m0/s1,104.93746999999999,70.63933,
210,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[O-:1][C:2](=[C:3]([O+:5]=[C:4]([H:8])[H:9])[H:7])[H:6],"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1","InChI=1S/C3H4O2/c1-5-3-2-4/h2-3H,1H2",51.9059,42.9812,
211,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[O-:1][C:2](=[C:3]=[O+:5][C:4]([H:7])([H:8])[H:9])[H:6],"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1","InChI=1S/C3H4O2/c1-5-3-2-4/h2H,1H3",76.16901,44.46595,
212,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[O-:1][C:2](=[C+:3][C:4]([O:5][H:7])([H:8])[H:9])[H:6],"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1","InChI=1S/C3H4O2/c4-2-1-3-5/h2,5H,3H2",70.16056999999999,61.173019999999994,
213,[O:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[O:4])[N+:6]#[C-:5])([H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h5H,2H2","InChI=1S/C3H3NO2/c1-4-3(6)2-5/h5H,2H2",42.75375,13.0246,
214,[O:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]=[C:2]([C@@:3]([O:4][H:7])([C:5]#[N:6])[H:9])[H:8],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h5H,2H2","InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m0/s1",44.68161,0.6765100000000001,
215,[O:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C@@:3]1([O:4][H:7])[C:5]#[N:6],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h5H,2H2","InChI=1S/C3H3NO2/c4-1-3(5)2-6-3/h5H,2H2/t3-/m1/s1",60.826269999999994,16.78537,
216,[O:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](\[O:4][H:7])[C:5]#[N:6])[H:8])[H:9],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h5H,2H2","InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2,5-6H/b3-2-",65.60302,1.7398,ketoenol
217,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1)([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h6H,2-4H2,1H3/t6-/m0/s1",67.28864,65.9888,Singlet_Carbene_Intra_Disproportionation
218,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:3]([C:4]([H:11])([H:13])[H:14])([H:12])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H10/c1-5-3-4-6(5)2/h3-6H,1-2H3/t5-,6-/m1/s1",131.13849,22.004820000000002,
219,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:6]=[C:5]([C:4]([C:3]([H:11])([H:12])[H:16])([H:13])[H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H10/c1-3-5-6-4-2/h3,6H,4H2,1-2H3",130.11481,23.23035,
220,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:14])=[C:5]=[C:6]1[H:16])([H:7])([H:8])[H:9].[H:13][H:15],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H8.H2/c1-6-4-2-3-5-6;/h2,5-6H,4H2,1H3;1H/t6-;/m0./s1",116.69283,95.70996,
221,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C:3](/[C:2](=[C:6](\[C:5](=[C:4]([H:13])[H:14])[H:15])[H:16])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H10/c1-3-5-6-4-2/h3,5-6H,1,4H2,2H3/b6-5-",105.9956,16.457079999999998,
222,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C:4]([H:14])=[C:5]([H:15])[C@@:6]12[H:16].[H:9][H:13],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H8.H2/c1-2-5-4-6(5)3-1;/h1-2,5-6H,3-4H2;1H/t5-,6+;/m0./s1",99.68279,35.18345,
223,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4]([H:13])([H:14])[H:15])([H:11])[H:12])([C:6](=[C:5])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H10/c1-4-6(3)5-2/h5-6H,4H2,1,3H3/t6-/m0/s1",84.87529,74.86645,
224,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:16])[C:5]([H:10])([H:15])[C:4]([H:13])([H:14])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3",84.95827,-2.875,
225,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:16])[C:5]([H:15])=[C:4]([H:13])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9].[H:10][H:14],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H8.H2/c1-6-4-2-3-5-6;/h2-4H,5H2,1H3;1H",58.983369999999994,21.837410000000002,
226,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:6]1([C:5](=[C:4]([H:13])[H:14])[H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H10/c1-3-6-4-5(6)2/h3,5-6H,1,4H2,2H3/t5-,6+/m0/s1",84.81517,21.7048,
227,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C-:2]1=[C:6]([H:16])[C+:5]([H:15])[C:4]([H:13])([H:14])[C:3]1([H:11])[H:12].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C5H6.CH4/c1-2-4-5-3-1;/h1-2H,3,5H2;1H4",87.55076,77.02122,
228,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h6H,2,4-5H2,1H3/t6-/m0/s1",67.49492,66.19974,Singlet_Carbene_Intra_Disproportionation
229,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:6](/[C:5]1([H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H10/c1-2-3-6-4-5-6/h2-3,6H,4-5H2,1H3/b3-2+",85.26623000000001,20.43819,
230,[C:1]([C:2]#[C:3][C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]=[C:3]([C+:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h4H2,1H3","InChI=1S/C5H5N/c1-3-5(2)4-6/h2H2,1H3",91.1431,55.592330000000004,
231,[C:1]([C:2]#[C:3][C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])[H:8])([H:7])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h4H2,1H3","InChI=1S/C5H5N/c1-2-3-4-5-6/h3H,1,4H2",130.94301000000002,1.31247,
232,[C:1]([C:2]#[C:3][C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]=[C:4]([C:5]#[N:6])[H:11])([H:7])[H:9].[H:8][H:10],"InChI=1S/C5H5N/c1-2-3-4-5-6/h4H2,1H3","InChI=1S/C5H3N.H2/c1-2-3-4-5-6;/h4H,1H2;1H",86.13362,39.32747,
233,[C:1]([C:2]#[C:3][C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C:4](=[C:5]=[N:6][H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h4H2,1H3","InChI=1S/C5H5N/c1-2-3-4-5-6/h4,6H,1H3",85.5288,18.96123,
234,[C:1]([C:2]#[C:3][C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h4H2,1H3","InChI=1S/C5H5N/c1-5(2)3-4-6/h3H2,1H3",59.02541,54.252869999999994,
235,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[C:1]1=[C:2]([H:8])[N:3]=[C:4]([H:9])[C:5]([H:7])([H:10])[N:6]=1,InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,"InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1,3H,2H2",120.48454,73.88447,
236,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[C-:1]([C-:2]([N+:3]#[C:4][H:9])[H:8])([N+:6]#[C:5][H:10])[H:7],InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,InChI=1S/C4H4N2/c1-5-3-4-6-2/h1-4H,101.01855,100.78005999999999,
237,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[C:1]1([H:7])=[N+:6]=[C:5]=[C:4]([H:9])[N-:3][C:2]1([H:8])[H:10],InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,"InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1,4H,2H2",106.19503999999999,77.65534,
238,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[C:1]1([H:7])=[C+:2][N:3]([H:8])[C:4]([H:9])=[C:5]([H:10])[N-:6]1,InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,"InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-3,6H",86.76179,47.41064,
239,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[C@:1]12([H:7])[C:2]([H:8])=[N:3][C@@:4]1([H:9])[C:5]([H:10])=[N:6]2,InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,"InChI=1S/C4H4N2/c1-3-4(5-1)2-6-3/h1-4H/t3-,4-/m0/s1",94.45545,68.08953000000001,
240,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[C-:1](=[N+:6]=[C:5]([C@:4]1([H:9])[C:2]([H:8])=[N:3]1)[H:10])[H:7],InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,InChI=1S/C4H4N2/c1-5-2-4-3-6-4/h1-4H/t4-/m1/s1,108.61851000000001,95.02954,
241,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[C:1]1([H:7])=[N:6][C@@:5]2([H:10])[N:3]3[C@:2]1([H:8])[C@:4]32[H:9],InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,"InChI=1S/C4H4N2/c1-2-3-4(5-1)6(2)3/h1-4H/t2-,3-,4-,6?/m0/s1",89.91806,61.77165,
242,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[c:1]1([H:7])[c:2]([H:8])[n:3]2[c:4]([H:9])[c:5]([H:10])[n:6]12,InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,InChI=1S/C4H4N2/c1-2-6-4-3-5(1)6/h1-4H,137.45899,99.56093,
243,[C:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3](=[C:4]([C:5]#[N:6])[H:15])([H:12])[H:13].[H:7][H:14],"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3","InChI=1S/C3H3N.C2H4.H2/c1-2-3-4;1-2;/h2H,1H2;1-2H2;1H",96.02743000000001,55.748180000000005,
244,[C:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5][N:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3","InChI=1S/C5H9N/c1-5-3-2-4-6-5/h5-6H,2-3H2,1H3/t5-/m0/s1",95.90489000000001,40.83896,
245,[C:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[N:6][H:11])([H:14])[H:15],"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3","InChI=1S/C3H6.C2H3N/c1-3-2;1-2-3/h3H,1H2,2H3;3H,1H2",68.92421,44.33206,Retroene
246,[C:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]/[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3","InChI=1S/C5H9N/c1-2-4-3-5(4)6/h4,6H,2-3H2,1H3/b6-5-/t4-/m0/s1",109.21983999999999,36.48968,
247,[C:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:5]=[N:6][H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3","InChI=1S/C5H9N/c1-2-3-4-5-6/h4,6H,2-3H2,1H3",93.05219,24.55783,
248,[C:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([N:6]=[C:5]=[C:4]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3","InChI=1S/C5H9N/c1-3-5-6-4-2/h2-3,5H2,1H3",96.88537,28.285090000000004,
249,[C:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:4]([C:5]#[N:6])([H:14])[H:15])[H:13])[H:10])([H:8])([H:9])[H:11].[H:7][H:12],"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3","InChI=1S/C5H7N.H2/c1-2-3-4-5-6;/h2-3H,4H2,1H3;1H/b3-2+;",115.88408000000001,29.23647,
250,[C:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([N+:6]#[C-:5])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3","InChI=1S/C5H9N/c1-3-4-5-6-2/h3-5H2,1H3",59.78771999999999,22.783179999999998,
251,[C:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]/[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3","InChI=1S/C5H9N/c1-4-2-3-5(4)6/h4,6H,2-3H2,1H3/b6-5-/t4-/m0/s1",100.73688,19.72811,
252,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:10])[C-:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h3-4,6H,1H3/t4-/m1/s1",67.81497,52.604319999999994,
253,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1=[C:5]=[N:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h5H,3H2,1H3",108.31371000000001,35.30857,
254,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C+:3]([H:10])[C@:4]1([C-:5]=[N:6][H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h3-5H,1H3/t4-,6?/m1/s1",138.57705,89.88707,
255,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]([C-:3]([H:10])[H:11])=[C:4]([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H6N2/c1-6(2)4-3-5/h4H,1H2,2H3",41.01897,13.50331,
256,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:4]([C:5]#[N:6])[C:3]1([H:10])[H:11])([H:7])[H:9].[H:8][H:12],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H4N2.H2/c1-6-3-4(6)2-5;/h1,3H2;1H",82.27509,64.88855,
257,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([N+:6]#[C-:5])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H6N2/c1-5-4-3-6(4)2/h4H,3H2,2H3/t4-,6?/m0/s1",58.86818,21.16416,
258,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1](/[N:6]=[C:5]1\[N:2]2[C:3]([H:10])([H:11])[C@:4]21[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H6N2/c1-5-4-3-2-6(3)4/h3H,2H2,1H3/b5-4-/t3-,6?/m0/s1",114.3637,35.83361,
259,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[C-:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H6N2/c1-6(4-5)2-3-6/h2H,3H2,1H3",81.1164,71.34588000000001,
260,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[C:4]([C:5]#[N:6])([H:10])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H6N2/c1-6-4-2-3-5/h4H,2H2,1H3/b6-4+",85.06009,-18.277179999999998,
261,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:6]([O:5][H:12])([H:13])[H:14])[C:3]([H:10])([H:11])[C:4]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-5(4-6)2-3-5/h6H,2,4H2,1H3/t5-/m0/s1",72.93848,57.31681,
262,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C@@:4]1([H:12])[O:5][C:6]1([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-3-5-4-6-5/h5H,3-4H2,1H3/t5-/m1/s1",72.4167,63.41223000000001,
263,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:13])[C:3]([H:10])([H:11])[C@:4]1([O+:5]=[C-:6][H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-4-3-5(4)6-2/h2,4-5H,3H2,1H3/t4-,5-/m1/s1",81.97348000000001,44.56896,
264,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[O:5])[H:12])([H:10])[H:11])=[C:6]([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-5(2)3-4-6/h4H,1,3H2,2H3",45.632540000000006,-32.42685,
265,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:4]1([H:12])[C:3]([H:10])([H:11])[C:2][C:6]([H:13])([H:14])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,3-4H2,1H3/t5-/m0/s1",87.35969,34.4801,
266,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O+:5]=[C-:6]2)([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H6O.H2/c1-5-2-4(5)6-3-5;/h4H,2H2,1H3;1H/t4-,5-;/m1./s1",87.20926,69.8558,
267,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C@:4]([C:3][H:10])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h2,4-5H,3H2,1H3/t4-,5+/m0/s1",63.47444,62.7434,
268,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2][C:6]([O:5][C:4](=[C:3]([H:10])[H:11])[H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-3-5-6-4-2/h4H,2,5H2,1H3",72.22979000000001,54.48828,
269,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:13])[C-:4]([H:12])[O+:5]=[C:6]1[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-5(2)3-6-4-5/h3-4H,1-2H3",85.34433,47.03662,
270,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3",67.51916,-29.955679999999997,
271,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])([H:11])[C@@:4]2([H:12])[O:5][C@@:6]12[H:14])([H:7])[H:8].[H:9][H:13],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H6O.H2/c1-3-2-4-5(3)6-4;/h4-5H,1-2H2;1H/t4-,5+;/m1./s1",102.96413000000001,28.26137,
272,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C-:4]=[O+:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-5(2)3-6-4-5/h3H2,1-2H3",52.10715,26.2279,
273,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:6]([O:5][H:11])([H:13])[H:14])[C:3]([H:10])=[C:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-5(4-6)2-3-5/h2-3,6H,4H2,1H3",71.66901999999999,10.511,
274,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:12])[C:3]([H:10])([H:11])[C-:4]=[O+:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h5H,2,4H2,1H3/t5-/m0/s1",55.76923000000001,8.03186,
275,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]#[C:5][H:13])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:5]([H:12])([H:13])[C:4]1)([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3","InChI=1S/C5H8/c1-5-3-2-4-5/h5H,2-3H2,1H3/t5-/m0/s1",94.96521,65.66844,
276,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]#[C:5][H:13])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]=[C:5]([H:9])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3","InChI=1S/C5H8/c1-4-5(2)3/h1H2,2-3H3",78.07979,-3.86628,
277,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]#[C:5][H:13])[H:9])([H:6])([H:7])[H:8],[C:1](/[C:2](=[C:4](/[C:3]([H:10])([H:11])[H:12])[C:5][H:13])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3","InChI=1S/C5H8/c1-4-5(2)3/h2,4H,1,3H3/b5-4+",89.58582,58.11518,
278,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,2,4H2,1H3/t5-/m1/s1",65.56342,64.30913000000001,Singlet_Carbene_Intra_Disproportionation
279,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,3-4H2,1H3/t5-/m1/s1",65.25424,63.46714,Singlet_Carbene_Intra_Disproportionation
280,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C:4]([H:11])=[C:5]([H:13])[C@@:6]12[H:14].[H:7][H:12],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C5H6O.H2/c1-2-6-5-3-4(1)5;/h1-2,4-5H,3H2;1H/t4-,5+;/m0./s1",93.54906,35.185790000000004,
281,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1]([C@:5]1([H:13])[C:4]([H:11])([H:12])[O:3][C:2]([H:10])=[C:6]1[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2-3,5H,4H2,1H3/t5-/m0/s1",92.471,-0.73721,
282,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4]([C:5]#[C:6][H:14])([H:11])([H:12])[H:13],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C3H4.C2H4O/c1-3-2;1-2-3/h1H,2H3;2H,1H3",106.94116000000001,28.08826,
283,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:6]([C:5](=[C:4]([H:11])[H:12])[H:13])([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3",67.48518,-6.32205,
284,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C:6]#[C:5][H:13])([H:10])[H:14])([H:7])([H:8])[H:9].[O:3]=[C:4]([H:11])[H:12],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C4H6.CH2O/c1-3-4-2;1-2/h1H,4H2,2H3;1H2",106.08698999999999,38.05771,
285,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][C:4]([H:11])([H:12])[H:13])([C:6](=[C:5])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O/c1-4-5(2)6-3/h4-5H,2-3H3/t5-/m1/s1",83.36162,78.86238,
286,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C-:2]1=[O+:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C4H4O.CH4/c1-2-4-5-3-1;/h1-2H,3H2;1H4",79.26731,52.07862,
287,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2](/[C:6](=[C:5](\[C:4]([O:3][H:7])([H:11])[H:12])[H:13])[H:14])[H:10])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-4,6H,1,5H2/b4-3-",64.37239,14.00443,
288,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2][C:4]([O:5][C:3]([H:9])([H:10])[H:11])([H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3","InChI=1S/C4H8O/c1-3-4-5-2/h4H2,1-2H3",114.76576999999999,81.81586999999999,
289,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C-:4]=[O+:5]1)([H:6])([H:7])[H:8].[H:12][H:13],"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3",InChI=1S/C4H6O.H2/c1-4(2)3-5-4;/h1-2H3;1H,89.87093,63.66863000000001,
290,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2]([C:4]([C:3]([H:9])([H:10])[H:11])([H:12])[H:13])=[O:5])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3","InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3",76.42727,-23.15842,
291,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1](=[C:2]1[C:4]([H:12])([H:13])[O:5]1)([H:6])[H:7].[C:3]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3",InChI=1S/C3H4O.CH4/c1-3-2-4-3;/h1-2H2;1H4,120.48936,28.537259999999996,
292,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])=[O+:5][C-:4]([H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3","InChI=1S/C4H8O/c1-4(2)5-3/h3H2,1-2H3",69.01171,49.62019,
293,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([O+:5]=[C-:4][H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3","InChI=1S/C4H8O/c1-4(2)5-3/h3-4H,1-2H3",78.27268000000001,47.98912,
294,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C-:2]=[O+:5][C:4]([C:3]([H:9])([H:10])[H:11])([H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3","InChI=1S/C4H8O/c1-3-5-4-2/h3H2,1-2H3",105.96211000000001,38.31667,
295,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([C:4][H:12])[O:5][H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3","InChI=1S/C4H8O/c1-4(2,3)5/h1,5H,2-3H3",71.96285,67.59124,
296,[C:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)","InChI=1S/C3H5NO2/c1-2-6-3(4)5/h1H3,(H2,4,5)",77.41060999999999,53.323609999999995,
297,[C:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2]#[O+:3].[C-:4]#[O+:5].[C:1]([N:6]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)","InChI=1S/CH5N.2CO/c3*1-2/h2H2,1H3;;",127.5551,28.903440000000003,
298,[C:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[O:5])=[N:6][H:11],"InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2H,1H3;2H",86.9804,16.39077,
299,[C:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:5][C:4](=[C:2]=[O:3])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)","InChI=1S/C3H5NO2/c1-6-3(4)2-5/h4H2,1H3",104.4981,59.20216,ketoenol
300,[C:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([O-:3])[C+:4]([O:5][H:7])[N:6]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)","InChI=1S/C3H5NO2/c1-2(5)3(4)6/h6H,1,4H2",47.5501,40.8546,
301,[C:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:7])[C:4](=[O:5])[N:6]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)","InChI=1S/C3H5NO2/c1-2(5)3(4)6/h5H,1H2,(H2,4,6)",69.54335,10.87355,ketoenol
302,[C:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[O+:5]=[C-:4][N:6]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)","InChI=1S/C3H5NO2/c1-3(5)6-2-4/h4H2,1H3",57.31418000000001,40.0645,
303,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1]([C@@:2]([O:3][C:5]([H:11])([H:12])[H:13])([C:4][H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C4H8O/c1-4(2)5-3/h1,4H,2-3H3/t4-/m0/s1",114.97676000000001,82.82324,
304,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1]([C@@:2]([O:3][H:11])([C:4](=[C:5]([H:12])[H:13])[H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3/t4-/m1/s1",61.47413,-5.7568,
305,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[O:3][C:4]1=[C:5]([H:12])[H:13])([H:6])([H:7])[H:8].[H:10][H:11],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C4H6O.H2/c1-3-4(2)5-3;/h4H,1H2,2H3;1H/t4-;/m1./s1",116.31961000000001,34.68012,
306,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1]([C:4]([C:2](=[O:3])[H:9])([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3",63.58268,-18.82968,
307,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1]([C-:2]=[O+:3][C:4]([C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C4H8O/c1-3-5-4-2/h3H2,1-2H3",76.50542,37.23474,
308,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2][C@@:4]([O:3][H:9])([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C4H8O/c1-3-4(2)5/h4-5H,1-2H3/t4-/m0/s1",71.56371999999999,66.57630999999999,
309,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([O+:3]=[C-:4][H:10])([C:5]([H:11])([H:12])[H:13])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C4H8O/c1-4(2)5-3/h3-4H,1-2H3",103.34579000000001,46.93188,
310,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:6])[H:9])([H:7])[H:8].[O:3]=[C:4]([C:5]([H:11])([H:12])[H:13])[H:10],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C2H4O.C2H4/c1-2-3;1-2/h2H,1H3;1-2H2",83.65101,5.2424,
311,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[O+:3]=[C-:4]1)([H:6])([H:7])[H:8].[C:5]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C3H4O.CH4/c1-3-2-4-3;/h3H,1H3;1H4/t3-;/m1./s1",92.60712,54.89196,
312,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1]([C-:2]([O+:3]=[C:4]([C:5]([H:11])([H:12])[H:13])[H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C4H8O/c1-3-5-4-2/h3-4H,1-2H3",69.94037,50.0782,
313,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[c:6]1[H:9])[H:7],[O:1]([C:2]1=[C:6]=[C:5]([H:8])[O:4][N:3]1[H:9])[H:7],"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h2,4-5H",109.23231000000001,62.7616,
314,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[c:6]1[H:9])[H:7],[O:1]=[c:2]1[n:3]([H:7])[o:4][c:5]([H:8])[c:6]1[H:9],"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)",50.45066,5.11574,ketoenol
315,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[c:6]1[H:9])[H:7],[O:1]([C:2]1=[N:3][O+:4]=[C-:5][C:6]1([H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1H2,(H,4,5)",69.37907,51.59543,Singlet_Carbene_Intra_Disproportionation
316,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[c:6]1[H:9])[H:7],[O:1]([C:2]([N:3]=[O:4])=[C:6]=[C:5]([H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c1-2-3(5)4-6/h5H,1H2",76.49001,60.30528,
317,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[c:6]1[H:9])[H:7],[O:1]([C:2]1=[C+:6][C:5]([H:8])([H:9])[O:4][N-:3]1)[H:7],"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h5H,2H2",76.46781,77.03907,Singlet_Carbene_Intra_Disproportionation
318,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[c:6]1[H:9])[H:7],[O:1]([C:2]1=[C:6]([H:9])[C@@:5]2([H:8])[N:3]1[O:4]2)[H:7],"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-2-1-3-4(2)6-3/h1,3,5H/t3-,4?/m0/s1",92.05719,70.11486,
319,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[c:6]1[H:9])[H:7],[O:1]([N:3]=[C:2]=[C:6]([C:5](=[O:4])[H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-3-1-2-4-6/h1,3,6H",79.90587,40.088409999999996,
320,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[c:6]1[H:9])[H:7],[O:1]([C:2]1=[N:3][C@:6]1([C:5](=[O:4])[H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-1-2-3(6)4-2/h1-2H,(H,4,6)/t2-/m0/s1",64.61144,16.36484,ketoenol
321,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[c:6]1[H:9])[H:7],[O-:1][C:2]1=[N:3][O+:4]=[C:5]([H:8])[C:6]1([H:7])[H:9],"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h2H,1H2",82.42693,40.14009,
322,[O:1]=[C:2]([N:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10])[H:6],[H:6][H:9].[N:3]1=[C:5]([H:10])[C:4]1([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2","InChI=1S/C2H3N.CO.H2/c1-2-3-1;1-2;/h1H,2H2;;1H",81.11065,41.05742,
323,[O:1]=[C:2]([N:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10])[H:6],[O:1]=[C:2]=[N:3][C:4]([C:5]([H:6])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2","InChI=1S/C3H5NO/c1-2-4-3-5/h2H2,1H3",64.88813,-32.71816,
324,[O:1]=[C:2]([N:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10])[H:6],[O:1]1[C:2]([H:6])=[N:3][C:4]([H:7])([H:8])[C:5]1([H:9])[H:10],"InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2","InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2",46.88864,-15.223189999999999,ketoenol
325,[O:1]=[C:2]([N:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10])[H:6],[O:1]=[C:2]([N+:3]1([H:10])[C:4]([H:7])([H:8])[C-:5]1[H:9])[H:6],"InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2","InChI=1S/C3H5NO/c5-3-4-1-2-4/h1,3-4H,2H2",69.44134,59.5351,
326,[O:1]=[C:2]([N:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10])[H:6],[O:1]=[C:2]([C:5]([N:3]=[C:4]([H:7])[H:8])([H:9])[H:10])[H:6],"InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2","InChI=1S/C3H5NO/c1-4-2-3-5/h3H,1-2H2",75.48665,-1.8165099999999998,
327,[O:1]=[C:2]([N:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10])[H:6],[C:4](=[C:5]([H:9])[H:10])([H:7])[H:8].[O:1]=[C:2]=[N:3][H:6],"InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2",InChI=1S/C2H4.CHNO/c1-2;2-1-3/h1-2H2;2H,60.976000000000006,-15.687579999999999,
328,[O:1]=[C:2]([N:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10])[H:6],[O:1]([C:2](=[N+:3]1[C:4]([H:7])([H:8])[C-:5]1[H:9])[H:6])[H:10],"InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2","InChI=1S/C3H5NO/c5-3-4-1-2-4/h1,3,5H,2H2",65.32531,60.4079,
329,[O:1]=[C:2]([N:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10])[H:6],[O:1]1[C:2]([H:6])=[N+:3]([C-:4]([H:7])[H:8])[C:5]1([H:9])[H:10],"InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2","InChI=1S/C3H5NO/c1-4-2-5-3-4/h2H,1,3H2",86.65306,63.32342,
330,[O:1]=[C:2]([N:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10])[H:6],[O:1]=[C:2]([N+:3]([C-:4]([H:7])[H:8])=[C:5]([H:9])[H:10])[H:6],"InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2","InChI=1S/C3H5NO/c1-4(2)3-5/h3H,1-2H2",49.98392,33.68833,
331,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[O:5][C:6]2([H:13])[H:14],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3]1([H:14])=[C:6]([H:13])[O:5][C:4]1([H:11])[H:12],InChI=1S/C5H8O/c1-2-5(1)3-6-4-5/h1-4H2,"InChI=1S/C3H4O.C2H4/c1-2-4-3-1;1-2/h1-2H,3H2;1-2H2",106.93526999999999,20.77976,
332,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[O:5][C:6]2([H:13])[H:14],[C-:1]1([H:8])[C:2]([H:9])([H:10])[C@@:3]12[C:4]([H:11])=[O+:5][C:6]2([H:13])[H:14].[H:7][H:12],InChI=1S/C5H8O/c1-2-5(1)3-6-4-5/h1-4H2,"InChI=1S/C5H6O.H2/c1-2-5(1)3-6-4-5;/h1,3H,2,4H2;1H/t5-;/m1./s1",103.92926,98.87069,
333,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C-:4]([H:12])[O+:5]=[C:6]2[H:14].[H:11][H:13],InChI=1S/C5H8O/c1-2-5(1)3-6-4-5/h1-4H2,"InChI=1S/C5H6O.H2/c1-2-5(1)3-6-4-5;/h3-4H,1-2H2;1H",89.5398,83.58039000000001,
334,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1=[C:4]([H:11])[H:12].[O:5]=[C:6]([H:13])[H:14],InChI=1S/C5H8O/c1-2-5(1)3-6-4-5/h1-4H2,InChI=1S/C4H6.CH2O/c1-4-2-3-4;1-2/h1-3H2;1H2,67.39619,14.179429999999998,2+2_cycloaddition
335,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]([O-:5])([H:11])[H:12])[C+:6]([H:13])[H:14],InChI=1S/C5H8O/c1-2-5(1)3-6-4-5/h1-4H2,InChI=1S/C5H8O/c1-5(4-6)2-3-5/h1-4H2,67.89873,67.42113,
336,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]([O+:5]=[C-:6][H:14])([H:11])[H:12])[H:13],InChI=1S/C5H8O/c1-2-5(1)3-6-4-5/h1-4H2,"InChI=1S/C5H8O/c1-6-4-5-2-3-5/h1,5H,2-4H2",84.8178,46.69475,
337,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C-:4]=[O+:5][C:6]2([H:13])[H:14].[H:11][H:12],InChI=1S/C5H8O/c1-2-5(1)3-6-4-5/h1-4H2,InChI=1S/C5H6O.H2/c1-2-5(1)3-6-4-5;/h1-3H2;1H,84.46329,63.292519999999996,
338,[O:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:8])[H:7],[O:1]([C@@:2]([C:3]#[N:4])([N+:6]#[C-:5])[H:8])[H:7],"InChI=1S/C3H2N2O/c4-1-3(6)2-5/h3,6H","InChI=1S/C3H2N2O/c1-5-3(6)2-4/h3,6H/t3-/m0/s1",53.89875,18.5185,
339,[O:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:5]1=[N:6][C@@:2]1([C:3]#[N:4])[H:8])[H:7],"InChI=1S/C3H2N2O/c4-1-3(6)2-5/h3,6H","InChI=1S/C3H2N2O/c4-1-2-3(6)5-2/h2H,(H,5,6)/t2-/m1/s1",92.70464,21.81492,
340,[O:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:2]([C:3]#[N:4])=[C:5]=[N:6][H:8])[H:7],"InChI=1S/C3H2N2O/c4-1-3(6)2-5/h3,6H","InChI=1S/C3H2N2O/c4-1-3(6)2-5/h4,6H",83.14025,16.56232,
341,[O:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:8])[H:7],[C:5]=[N:6][H:7].[O:1]=[C:2]([C:3]#[N:4])[H:8],"InChI=1S/C3H2N2O/c4-1-3(6)2-5/h3,6H",InChI=1S/C2HNO.CHN/c3-1-2-4;1-2/h2H;2H,68.55595,29.391,
342,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]1=[C:5]=[C:6]([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-5-4(2)6-5/h4H,1H2,2H3/t4-/m1/s1",83.46338,5.96512,
343,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C-:4]=[C:5]=[C+:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-4-5(2)6/h1,5-6H,2H3/t5-/m1/s1",66.45038000000001,49.50908,
344,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:3]=[C-:4][C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-5-6-4-2/h1H,4H2,2H3",73.9775,35.96518,
345,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@@:4]([O:3][H:7])([C:5]#[C:6][H:12])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-5(6)4-2/h1,4-6H,2H2/t5-/m0/s1",62.46495,-5.05311,
346,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][C:4]1([H:11])[C:5]([H:7])=[C:6]1[H:12])[H:10])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-6-5-3-4-5/h2-5H,1H2",85.66702,13.13239,
347,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:4]([O:3][H:10])([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-5(6)4-2/h1,5-6H,2H3/t5-/m0/s1",71.96433,66.91492,
348,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:6]([H:12])=[C:5]=[C:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h3-5H,1H3/t5-/m1/s1",67.49919,16.55153,
349,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([O+:3]=[C:4]([C:5]#[C:6][H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-5-6-4-2/h1,4-5H,2H3",57.994719999999994,41.41301,
350,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3]/[C:4]1=[C:5](\[C:6][H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,3-4H,2H3/b5-3-/t4-/m1/s1",78.37774,55.57256999999999,
351,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:6](=[C:5])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-5-4(2)6-5/h3-5H,2H3/t4-,5+/m1/s1",57.89618000000001,49.42372,Singlet_Carbene_Intra_Disproportionation
352,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][C:4](=[C:5]=[C:6]([H:7])[H:12])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-5-6-4-2/h4-5H,1-2H2",49.01603,-0.55704,
353,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][n:5]1,[N:1]1=[N:5][N:4]=[C:3]([H:8])[C:2]1([H:6])[H:7],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-2-4-5-3-1/h1H,2H2",53.20759,24.52357,
354,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][n:5]1,[N:1]1([H:6])[C:2]([H:7])([H:8])[C:3]#[N+:4][N-:5]1,"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-2-4-5-3-1/h3H,1H2",82.67067,77.29759,Singlet_Carbene_Intra_Disproportionation
355,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][n:5]1,[N:1](=[C:2](/[C-:3]([N+:4]#[N:5])[H:8])[H:7])\[H:6],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)",InChI=1S/C2H3N3/c3-1-2-5-4/h1-3H/b3-1+,31.75726,16.772560000000002,
356,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][n:5]1,[C:2](#[C:3][H:8])[H:7].[N:1](=[N+:5]=[N-:4])[H:6],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)",InChI=1S/C2H2.HN3/c1-2;1-3-2/h1-2H;1H,89.75748,61.16502,
357,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][n:5]1,[N:1](=[N:5][N:4]=[C:3]=[C:2]([H:7])[H:8])[H:6],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-2-4-5-3/h3H,1H2",115.74306000000001,52.1441,
358,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][n:5]1,[n:1]1[c:2]([H:7])[c:3]([H:8])[n:4][n:5]1[H:6],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)",47.34721,-4.970219999999999,
359,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][n:5]1,[N:1]1([H:6])[C:2]([H:7])=[C+:3][N:4]([H:8])[N-:5]1,"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-2-4-5-3-1/h1,3-4H",84.31038000000001,42.33748,
360,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([c:2]1[n:3][c:4]([H:9])[n:5]([H:10])[n:6]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)",46.41048,-0.74173,
361,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N+:1]([c:2]1[n-:3][c:4]([H:9])[n:5][n:6]1)([H:7])([H:8])[H:10],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H3N4/c3-2-4-1-5-6-2/h1H,(H2-,3,4,5,6)/q-1/p+1",58.20296,39.60515,
362,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C+:2][N:6]([N-:5])[H:10])([H:7])[H:8].[N:3]#[C:4][H:9],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/CH3N3.CHN/c2-1-4-3;1-2/h4H,2H2;1H",128.85342,111.462,
363,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1](=[c:2]1\[n:3][c:4]([H:9])[n:5]([H:7])[n:6]1[H:10])\[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)",113.64303999999998,23.51799,
364,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[C:4](#[N:5])[H:9].[N:1]([N:3]=[C:2]=[N:6][H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/CH3N3.CHN/c2-1-4-3;1-2/h2H,3H2;1H",124.67531000000001,56.16,
365,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C:2][N:6]([N:5]1[N:3]=[C:4]1[H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-4-6-2-5-6/h2,4H,3H2",145.49407,116.81643000000001,
366,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C:2]([N:3]=[C:4]=[N:5][H:9])=[N:6][H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-6-2(4)5/h3H,(H3,4,5)",77.05861,5.97783,
367,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C:2]([N:3]1[C:4]([H:9])=[N:5]1)=[N:6][H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2(4)6-1-5-6/h1H,(H3,3,4)",96.97785,69.62023,
368,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C:2]1=[N:3][C@:4]1(/[N:5]=[N:6]/[H:10])[H:9])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-2(5-1)6-4/h2,4H,(H2,3,5)/b6-4+/t2-/m0/s1",102.09692,66.81851999999999,
369,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1](=[C:2]1[N:3]=[C:4]([H:9])[N-:5][N+:6]1([H:7])[H:10])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,6H2,(H-,3,4,5)",75.65308,40.382090000000005,
370,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C@:2]1([H:10])[N:3]=[C:4]([H:9])[N:5]=[N:6]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1-2H,3H2/t2-/m1/s1",57.55584,39.50966,
371,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([c:2]1[n+:3]([H:9])[c-:4][n:5][n:6]1[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h4H,(H3,3,5,6)",86.13894,49.88997,
372,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([c:2]1[n:3]([H:10])[c:4]([H:9])[n:5][n:6]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)",57.86121,7.51652,
373,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[C:4](#[N+:5][N-:6][H:10])[H:9].[N:1]([C:2]#[N:3])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)",InChI=1S/2CH2N2/c1-3-2;2-1-3/h1-2H;2H2,92.34989,77.76522,
374,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1](=[c:2]1/[n:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])\[H:7],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)",56.11408,12.09206,
375,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2]1/[O:3][C:4]([H:9])([H:10])[C-:5]=[N+:6]1[H:8])\[H:7],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h4-5H,2H2/b4-3+",88.59783,25.98349,
376,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[C:4](=[C:5]=[N:6][H:8])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C2H3N.CHNO/c1-2-3;2-1-3/h3H,1H2;2H",68.49452,3.95263,Retroene
377,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([C:4]([C:5]#[N:6])([H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)",55.6465,-15.93896,ketoenol
378,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([C:5]1=[N:6][C:4]1([H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C3H4N2O/c6-2-5-3-1-4-3/h2H,1H2,(H,4,5,6)",57.30039,18.42201,
379,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2](/[O:3][C:4]([N+:6]#[C-:5])([H:9])[H:10])[H:8])\[H:7],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C3H4N2O/c1-5-3-6-2-4/h2,4H,3H2/b4-2+",57.40841999999999,20.2116,
380,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[N:1]([C-:2]=[O+:3][C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C3H4N2O/c4-1-2-6-3-5/h2,5H2",79.75793,34.7816,
381,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2](/[O:3][C:4](=[C:5]=[N:6][H:10])[H:9])[H:8])\[H:7],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+",InChI=1S/C3H4N2O/c4-1-2-6-3-5/h2-5H/b5-3+,94.38853,26.9802,
382,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2]([H:8])[H:10])[H:7].[O:3]=[C:4]([C:5]#[N:6])[H:9],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C2HNO.CH3N/c3-1-2-4;1-2/h2H;2H,1H2",96.22024,26.83656,
383,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[C:5](#[N:6])[H:10].[N:1](=[C:2](/[O+:3]=[C-:4][H:9])[H:8])\[H:7],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+",InChI=1S/C2H3NO.CHN/c1-4-2-3;1-2/h1-3H;1H/b3-2+;,95.50676999999999,83.69593,
384,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([N:6]=[C:5]=[C:4]([H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C3H4N2O/c1-2-4-5-3-6/h3H,1H2,(H,5,6)",66.85794,28.853659999999998,
385,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[n:1]1([H:7])[c:2]([H:8])[o+:3][c:4]([H:9])[c:5]1[N-:6][H:10],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2,4-5H",96.98427,26.49462,
386,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](/[C:2](=[C:3](/[O:4][H:13])[H:12])[H:11])([H:7])([H:8])[H:9].[H:10][H:14],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CO.H2/c1-2-3-4;1-2;/h2-4H,1H3;;1H/b3-2+;;",76.47728000000001,27.68931,
387,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3]([O:4][H:12])=[C:5](/[O:6][H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-4(6)3-5/h3,5-6H,2H2,1H3/b4-3-",65.97046999999999,6.11777,ketoenol
388,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3](\[O:4][H:13])(=[C:5](\[O:6][H:9])[H:14])[H:12],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1",InChI=1S/C2H4O2.C2H4/c3-1-2-4;1-2/h1-4H;1-2H2/b2-1-;,59.231930000000006,33.76008,Retroene
389,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][H:13])([H:7])([H:8])[H:9].[C:2](=[C:3]([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H4O.CH4O/c1-2-3-4;1-2/h2-3H,1H2;2H,1H3",110.71965,28.768159999999998,"1,3_Insertion_ROR"
390,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C+:3]([O:4][H:13])=[C:5]([O-:6])[H:14].[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C2H2O2.C2H6/c3-1-2-4;1-2/h1H,(H-,3,4);1-2H3",77.33622,70.82111,
391,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([H:7])([H:8])([H:9])[H:14].[C:2](=[C:3]([O:4][H:13])[H:12])([H:10])[H:11],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C2H4O.CO.CH4/c1-2-3;1-2;/h2-3H,1H2;;1H4",96.55954,16.328329999999998,
392,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5][O:6][H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-4(6)3-5/h4-6H,2H2,1H3/t4-/m1/s1",80.3593,52.96009,
393,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:12])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3",37.64739,-4.83603,
394,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:10])([H:11])[C@:3]([O:4][H:13])([H:12])[C@:5]1([O:6][H:9])[H:14],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+",85.83504,15.234620000000001,
395,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[H:14])[H:11])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2.H2/c1-4(2-5)3-6;/h2-4H,1H3;1H",101.4058,22.61477,
396,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([O:6][H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-3-4(5)6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1",58.1405,18.911070000000002,
397,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C:5](=[O:6])[H:14])[H:12])[H:11])([H:7])([H:8])[H:9].[O:4]([H:10])[H:13],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O.H2O/c1-2-3-4-5;/h2-4H,1H3;1H2/b3-2-;",71.68313,11.878910000000001,"1,3_Insertion_ROR"
398,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[O:1]([C:2]1=[N:3][N:6]1/[C:5](=[N:4]/[H:8])[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-1-5-2(6)4-5/h1,3H,(H,4,6)/b3-1+",92.60635,75.13362,
399,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[O-:1][c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n+:6]1[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",48.35018,11.94298,ketoenol
400,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[O:1]([N:3]=[C:2]=[N:6][C:5](=[N:4][H:8])[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-1-4-2-5-6/h1,3,6H",98.70509,65.90873,
401,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[O:1]=[c:2]1[n:3]([H:7])[n:4]([H:8])[c:5]([H:9])[n:6]1,"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",53.5291,9.222489999999999,ketoenol
402,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[C:5](#[N:6])[H:9].[O:1]([C:2]#[N+:3][N-:4][H:8])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/CH2N2O.CHN/c2-3-1-4;1-2/h2,4H;1H",99.3899,88.87059,
403,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[O:1]([C:2](=[N:3][N:4]([H:8])[H:9])[N+:6]#[C-:5])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c1-4-2(6)5-3/h3H2,(H,5,6)",91.51467,46.90661,
404,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[O:1]([c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[n:6]1)[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",49.130720000000004,4.56608,
405,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[O:1]([N+:6]1=[C:2]=[N:3][N:4]([H:8])[C-:5]1[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-5-1-3-4-2-5/h1,3,6H",162.99342,88.37706,
406,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[O:1]([N:6]=[C:2]=[N:3][N:4]([C:5][H:9])[H:8])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c1-3-4-2-5-6/h1,3,6H",165.98363999999998,133.27302,
407,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[O:1]([C:2]1=[N:6][C:5]([H:8])([H:9])[N:4]=[N:3]1)[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H2,(H,3,6)",49.69703,25.49579,
408,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N-:6][N+:2]#[C:3][H:10])([H:7])([H:8])[H:9].[N:4]#[N:5],"InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3","InChI=1S/C2H4N2.N2/c1-3-4-2;1-2/h1H,2H3;",120.26567,10.97733,
409,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]([N:4]=[N+:5]=[N-:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3","InChI=1S/C2H4N4/c1-4-2-5-6-3/h2H,1H3",34.3772,13.922260000000001,
410,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:3]1([H:10])[N:2]=[N:6][N:5]=[N:4]1)([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3","InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h2H,1H3",68.08423,22.26645,
411,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[N+:6]=[N-:5])([H:7])([H:8])[H:9].[C:3](#[N:4])[H:10],"InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3",InChI=1S/CH3N3.CHN/c1-3-4-2;1-2/h1H3;1H,58.035869999999996,24.52662,
412,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1](=[N+:2]1[C:3]([H:7])([H:10])[N:4]=[N:5][N-:6]1)([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3",InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h1-2H2,110.7053,48.9314,
413,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([n:6]1[n:2][c:3]([H:10])[n:4][n:5]1)([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3","InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3",68.8773,-3.9560699999999995,
414,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[O:1]=[N:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h3H,1-2H2",74.25001,13.40412,ketoenol
415,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[O:1]([N:2]([C:3]1=[C:6]([H:11])[O:5][C:4]1([H:8])[H:9])[H:10])[H:7],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h1,4-5H,2H2",84.45905,19.58428,
416,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[O:1]([N:2]1[C:3](=[C:4]([H:8])[H:9])[C:6]([H:10])([H:11])[O:5]1)[H:7],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C3H5NO2/c1-3-2-6-4(3)5/h5H,1-2H2",81.6982,35.32247,
417,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[O:1](/[N:2]=[C:3](/[C:4]([O+:5]=[C-:6][H:10])([H:8])[H:9])[H:11])[H:7],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C3H5NO2/c1-6-3-2-4-5/h1-2,5H,3H2/b4-2+",79.29844,45.779759999999996,
418,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[O-:1][N+:2]#[C:3][C:4]([O:5][C:6]([H:7])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C3H5NO2/c1-6-3-2-4-5/h3H2,1H3",71.17109,6.404059999999999,
419,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[H:9][H:10].[O:1]([N-:2][C:3]1=[C:4]([H:8])[O+:5]=[C:6]1[H:11])[H:7],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C3H3NO2.H2/c5-4-3-1-6-2-3;/h1-2,5H;1H",95.87908,88.43573,
420,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[O-:1][N:2]([C+:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h4H,1-2H2",55.186769999999996,18.45099,
421,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2]([N+:3]1=[C:4]([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11].[C:1]([H:7])([H:8])([H:9])[H:12],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C4H7N.CH4/c1-4-3-5(4)2;/h3-4H,2H2,1H3;1H4/t4-;/m1./s1",93.72125,60.24568000000001,
422,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:5]([N:3]1[C:2]([H:10])([H:11])[C:4]1([H:12])[H:13])([C:6]([H:15])([H:16])[H:17])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C5H11N/c1-5(2)6-3-4-6/h5H,3-4H2,1-2H3",119.28159,0.8311200000000001,
423,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[H:7][H:14].[N:3]1=[C:5]([C:6]([H:15])([H:16])[H:17])[C:4]1([H:12])[H:13],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C3H5N.C2H4.H2/c1-3-2-4-3;1-2;/h2H2,1H3;1-2H2;1H",90.41967,50.60391,
424,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N+:3]1([C:6]([H:15])([H:16])[H:17])[C:4]([H:12])([H:13])[C-:5]1[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C5H11N/c1-3-6(2)4-5-6/h4H,3,5H2,1-2H3",111.56703,59.42151,
425,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([N+:3]1=[C:5]([H:14])[C:4]1([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[C:6]([H:10])([H:15])([H:16])[H:17],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C4H7N.CH4/c1-2-5-3-4-5;/h2-3H,4H2,1H3;1H4",100.81484,61.35527,
426,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([N+:3]1=[C:4]([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])[H:11])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C5H9N.H2/c1-3-6-4-5(6)2;/h3-5H,1-2H3;1H/t5-;/m1./s1",83.41771,70.16669,
427,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2]([N+:3]1=[C:5]([C:6]([H:15])([H:16])[H:17])[C:4]1([H:12])[H:13])([H:10])[H:11].[C:1]([H:7])([H:8])([H:9])[H:14],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C4H7N.CH4/c1-4-3-5(4)2;/h2-3H2,1H3;1H4",93.51278,59.87868,
428,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]1[C:4]([H:12])=[C:5]1[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[C:6]([H:13])([H:15])([H:16])[H:17],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C4H7N.CH4/c1-2-5-3-4-5;/h3-4H,2H2,1H3;1H4",122.15213,60.509640000000005,
429,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N+:3]([C-:4]([H:12])[H:13])=[C:5]([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C5H11N/c1-4-6(3)5-2/h4H,3,5H2,1-2H3",48.479929999999996,28.94091,
430,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([N+:3]1=[C:5]([C:6]([H:15])([H:16])[H:17])[C:4]1([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[H:10][H:14],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C5H9N.H2/c1-3-6-4-5(6)2;/h3H,4H2,1-2H3;1H",82.73671999999999,69.63511,
431,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[H:7][H:12].[N:3]1=[C:4]([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C3H5N.C2H4.H2/c1-3-2-4-3;1-2;/h2-3H,1H3;1-2H2;1H/t3-;;/m1../s1",91.84491,56.13305,
432,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N+:3]1([H:13])[C-:4]([H:12])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C5H11N/c1-3-6-4-5(6)2/h4-6H,3H2,1-2H3/t5-/m1/s1",65.18245999999999,51.67475,
433,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C@@:3]1([H:8])[C+:2]=[C:6]([H:10])[N-:5][N:4]1[H:9])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h2-3,5-6H/t3-/m0/s1",97.78461,77.15644,
434,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C:2]1=[C:6]([H:10])[C@@:3]1([N:4]([N:5])[H:9])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c4-5-2-1-3(2)6/h1-2,5-6H/t2-/m0/s1",141.74532,93.86442,
435,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C@:6]1([H:10])[C+:2]=[C:3]([H:8])[N:4]([H:9])[N-:5]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h2-4,6H/t3-/m1/s1",110.46016999999999,83.60766,
436,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C:2]1([H:9])[C:3]([H:8])=[N:4][N:5]=[C:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-3,6H",50.462540000000004,29.90617,
437,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]([H:9])[N:5]=[C:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1,5H,2H2",72.63793000000001,9.471589999999999,ketoenol
438,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[N-:4]([N+:5]#[C:6][H:10])[H:9].[O:1]([C:2]#[C:3][H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C2H2O.CH2N2/c1-2-3;1-3-2/h1,3H;1-2H",121.16384,103.49001,
439,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C@@:2](/[C:3](=[N:4]/[H:9])[H:8])([C:6]#[N:5])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c4-1-3(6)2-5/h1,3-4,6H/b4-1+/t3-/m0/s1",93.24613000000001,6.64838,
440,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([c:2]1[c+:3]([H:8])[n:4]([H:9])[n:5]([H:10])[c-:6]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1,4-6H",77.77694,51.0625,
441,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C:2]1=[C:6]([H:10])[N:5]=[N:4][C:3]1([H:8])[H:9])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1,6H,2H2",50.43311,24.25597,
442,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C:2]([C:3](=[N:4][H:9])[H:8])=[C:6]=[N:5][H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c4-1-3(6)2-5/h1,4-6H",91.5814,26.5278,
443,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C:2][C@@:6]1([H:10])[C+:3]([H:8])[N:4]([H:9])[N-:5]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-2-3-1-4-5-3/h1,3-4,6H/t3-/m1/s1",128.77129,121.39747,
444,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C:2]1=[C-:3][N+:4]([H:8])([H:9])[N:5]=[C:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1,6H,5H2",81.30894,67.80637,
445,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]=[C:2]1[C+:3]([H:8])[N:4]([H:9])[N-:5][C:6]1([H:7])[H:10],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1,4H,2H2",72.65876,28.579729999999998,
446,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C:3](=[C:2]=[C:6](/[N:5]=[N:4]/[H:9])[H:10])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c4-5-2-1-3-6/h2-4,6H/b5-4+",94.70815,62.405559999999994,
447,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C@:2]1([H:8])[C:3][N:4]([H:9])[N:5]=[C:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1,3,5-6H/t3-/m0/s1",61.289719999999996,55.79906999999999,Singlet_Carbene_Intra_Disproportionation
448,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N+:5]1([H:12])[C-:6]2[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-4-1-3-2-5(3)4/h2-6H,1H2/t3-,4+/m1/s1",92.92108,53.231280000000005,
449,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]([C:3]([C:4][H:11])([H:9])[H:10])(/[C:6](=[N:5]/[H:12])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c1-2-4(6)3-5/h1,3-6H,2H2/b5-3+/t4-/m0/s1",63.44425,53.63436,
450,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N+:5]2([H:12])[C-:4]([H:11])[C@:6]12[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h1,3-6H,2H2/t3-,4+/m1/s1",111.82388999999999,58.1196,
451,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C:2][C:3]([C@@:4]1([H:11])[N:5]([H:12])[C:6]1([H:8])[H:13])([H:9])[H:10])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h4-6H,1,3H2/t4-/m1/s1",72.18703000000001,42.1135,
452,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C-:4]([H:11])[N:5]([H:12])[C+:6]1[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-4-1-2-5-3-4/h2-6H,1H2/t4-/m0/s1",60.52044,7.35313,
453,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1](/[C:2](=[C:6](/[C:3](/[C:4](=[N:5]/[H:12])[H:11])([H:9])[H:10])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c5-3-1-2-4-6/h2-6H,1H2/b4-2+,5-3+",59.93297,-23.19373,
454,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]1[C@@:2]2([H:8])[C:3]([H:9])([H:10])[C@:4]([N:5]([H:7])[H:12])([H:11])[C@@:6]12[H:13],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c5-2-1-3-4(2)6-3/h2-4H,1,5H2/t2-,3+,4-/m1/s1",62.61595,1.05693,
455,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1](/[C:2](=[C:6](/[C@@:4]1([H:11])[C:3]([H:9])([H:10])[N:5]1[H:12])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h1-2,4-6H,3H2/b2-1+/t4-/m0/s1",84.90119,-5.3411,
456,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4][N:5]([H:12])[C:6]1([H:11])[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-4-1-2-5-3-4/h4-6H,1,3H2/t4-/m0/s1",55.90185,0.92189,
457,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[C:2]1([H:8])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13].[O:1]([H:7])[H:9],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H5N.H2O/c1-2-4-3(1)5-4;/h1-5H;1H2/t3-,4+;",81.49696,32.797270000000005,"1,3_Insertion_ROR"
458,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]1(/[C:6](=[N:5]/[H:12])[H:13])[H:11])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c5-2-3-1-4(3)6/h2-6H,1H2/b5-2+/t3-,4+/m1/s1",57.16868,-15.255020000000002,
459,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[H:9][H:12].[O:1]([C@@:2]1([H:8])[C:3]([H:10])=[C:4]([H:11])[N:5]=[C:6]1[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H5NO.H2/c6-4-1-2-5-3-4;/h1-4,6H;1H/t4-;/m0./s1",85.523,-1.55558,
460,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[H:7][H:10].[O:1]=[C:2]([C@@:3]1([H:9])[C@:4]2([H:11])[N:5]([H:12])[C@:6]12[H:13])[H:8],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H5NO.H2/c6-1-2-3-4(2)5-3;/h1-5H;1H/t2-,3-,4+;",124.68416,43.09281,
461,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C:2]([C:3](/[C:4](=[N:5]/[H:12])[H:11])([H:9])[H:10])=[C:6]([H:8])[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c1-4(6)2-3-5/h3,5-6H,1-2H2/b5-3+",81.695,-26.200570000000003,
462,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[H:11][H:13].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C-:4][N:5]([H:12])[C+:6]1)[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H5NO.H2/c6-4-1-2-5-3-4;/h4-6H,1H2;1H/t4-;/m0./s1",110.01888000000001,81.98203000000001,
463,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]=[C:2]([C:3]([C@@:4]1([H:11])[N:5]([H:12])[C:6]1([H:7])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m1/s1",73.13964,-12.852780000000001,
464,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]=[C:2]([C@@:6]1([H:13])[C@:4]([C:3]([H:7])([H:9])[H:10])([H:11])[N:5]1[H:12])[H:8],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1",74.9204,-14.881520000000002,
465,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:6]1([N:5]([C:4][H:11])[H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c1-5-3-2-4(3)6/h1,3-6H,2H2/t3-,4+/m1/s1",83.79066,29.21477,
466,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[N:5]=[C:6]1[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-4-1-2-5-3-4/h3-4,6H,1-2H2/t4-/m0/s1",57.177409999999995,-32.01368,
467,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:13])[N:5]([H:12])[C:6]1)[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-4-1-2-5-3-4/h4-6H,1-2H2/t4-/m0/s1",58.33027,0.54425,
468,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[N:5][C:6]1([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-4-1-2-5-3-4/h2,4,6H,1,3H2/t4-/m0/s1",58.16613,-33.71715,
469,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[C:2]1[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13].[O:1]([H:7])[H:8],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H5N.H2O/c1-2-4-3(1)5-4;/h3-5H,1H2;1H2/t3-,4+;/m1./s1",79.8394,67.15031,
470,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[H:12][H:13].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:6]12[C:4]([H:11])=[N:5]2)[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H5NO.H2/c6-3-1-4(3)2-5-4;/h2-3,6H,1H2;1H/t3-,4-;/m0./s1",125.94057,48.17767,
471,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H5NO.H2/c6-3-1-2-4(3)5-2;/h2,4-5H,1H2;1H/t2-,4-;/m1./s1",88.19617,17.09338,
472,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C:2](=[C:6]([N:5]([C:4](=[C:3]([H:9])[H:10])[H:11])[H:12])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h2-6H,1H2",76.95991,-17.94525,
473,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C:2][C@@:6]1([H:13])[C@:4]([C:3]([H:8])([H:9])[H:10])([H:11])[N:5]1[H:12])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h3-6H,1H3/t3-,4+/m1/s1",64.66953000000001,31.399259999999998,
474,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C-:4]2[N+:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h3-4,6H,1,5H2/t3-,4+/m0/s1",67.67832,51.56222,
475,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3](=[C:4]([H:11])[H:12])[H:10])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H10/c1-3-6(2)4-5-6/h3H,1,4-5H2,2H3",86.79799,23.908,
476,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:11])[C:3]([H:10])=[C:4]([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m0/s1",88.01212,2.91604,
477,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[C:4]([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])[H:8].[H:9][H:11],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H8.H2/c1-6-4-2-3-5-6;/h2,4H,1,3,5H2;1H",88.0796,27.93833,
478,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C@:5]([C:4]([H:11])([H:12])[H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H10/c1-5-3-6(2)4-5/h3,5H,4H2,1-2H3/t5-/m1/s1",129.61809,21.241979999999998,
479,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H10/c1-5-3-4-6(5)2/h3,6H,4H2,1-2H3/t6-/m1/s1",130.02653,21.11018,
480,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]=[C:4]([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H8.H2/c1-6-4-2-3-5-6;/h2H,3,5H2,1H3;1H",114.8098,92.05451,
481,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C+:2]1[C:3]([H:10])=[C-:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H8.H2/c1-6-4-2-3-5-6;/h5H,2,4H2,1H3;1H",93.19421,85.84035,
482,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@@:5]2([H:14])[C:6]1([H:15])[H:16])([H:7])[H:9].[H:8][H:13],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H8.H2/c1-4-2-5-3-6(4)5;/h5-6H,1-3H2;1H/t5-,6-;/m1./s1",117.06911000000001,59.15371999999999,
483,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([H:11])[H:12])[C:6]([C:5]([H:10])([H:13])[H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H10/c1-4-6(3)5-2/h1,5H2,2-3H3",132.14185,25.279770000000003,
484,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])=[C:6]([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H10/c1-5(2)6-3-4-6/h6H,1,3-4H2,2H3",89.57082,22.42325,
485,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:16])[C:5]([H:13])([H:14])[C:4]([H:11])=[C:3]1[H:10])([H:7])([H:8])[H:9].[H:12][H:15],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H8.H2/c1-6-4-2-3-5-6;/h2,4-5H,3H2,1H3;1H",61.81437,24.45135,
486,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:16])[C@@:3]1([C:4]([C:5]([H:13])([H:14])[H:15])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H10/c1-3-6-4-5(6)2/h4,6H,3H2,1-2H3/t6-/m0/s1",91.79393,44.52346,
487,[C:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C+:2]([C:3]#[N:4])=[C:5]=[N-:6].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H4N2/c1-4(2-5)3-6/h4H,1H3",InChI=1S/C3N2.CH4/c4-2-1-3-5;/h;1H4,87.02356,86.90016999999999,
488,[C:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]#[N:4])=[C:5]=[N:6][H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H4N2/c1-4(2-5)3-6/h4H,1H3","InChI=1S/C4H4N2/c1-4(2-5)3-6/h5H,1H3",83.02325,15.1858,
489,[C:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]#[N:4])[H:10])([H:8])[H:9].[C:5]=[N:6][H:7],"InChI=1S/C4H4N2/c1-4(2-5)3-6/h4H,1H3","InChI=1S/C3H3N.CHN/c1-2-3-4;1-2/h2H,1H2;2H",112.2392,38.02126,
490,[C:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]#[N:4])([N+:6]#[C-:5])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H4N2/c1-4(2-5)3-6/h4H,1H3","InChI=1S/C4H4N2/c1-4(3-5)6-2/h4H,1H3/t4-/m0/s1",59.782830000000004,22.18618,
491,[C:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:5]([N+:4]#[C-:3])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H4N2/c1-4(2-5)3-6/h4H,1H3","InChI=1S/C4H4N2/c1-3-4(5-2)6-3/h3H,1H3/t3-/m0/s1",113.41156000000001,59.356590000000004,
492,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4][H:13])([H:11])[H:12])([O:6][C:5]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10O/c1-4-5(2)6-3/h1,5H,4H2,2-3H3/t5-/m0/s1",127.05113,90.7396,
493,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:5]([H:14])([H:15])[H:16])([H:11])[H:12])([O+:6]=[C-:4][H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10O/c1-4-5(2)6-3/h3,5H,4H2,1-2H3/t5-/m0/s1",129.786,51.35947,
494,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C@@:4]([C:5]([H:14])([H:15])[H:16])([O:6][H:12])[H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10O/c1-3-4-5(2)6/h3-6H,1-2H3/b4-3+/t5-/m1/s1",86.76007,-5.42741,
495,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4][C:5]([H:14])([H:15])[H:16])([H:11])[H:12])([O:6][H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10O/c1-3-4-5(2)6/h5-6H,4H2,1-2H3/t5-/m0/s1",73.63955,59.62024,
496,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:3]([C:2](=[O+:6][C-:4]([C:5]([H:14])([H:15])[H:16])[H:13])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10O/c1-3-5-6-4-2/h4-5H,3H2,1-2H3",124.36301999999999,58.38624,
497,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4]([C:5]([H:14])([H:15])[H:16])(=[O:6])[H:13],"InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2H,1H3",60.79006,5.81571,2+2_cycloaddition
498,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9].[C:4]([C:5]([H:14])([H:15])[H:16])[H:13],"InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C3H6O.C2H4/c1-3-2-4-3;1-2/h3H,2H2,1H3;1H,2H3/t3-;/m0./s1",121.68553999999999,106.41429,
499,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],[O:1]=[C:2]([C:3]([C:4][H:8])([H:6])[H:7])[C:5]([H:9])([H:10])[H:11],InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2,"InChI=1S/C4H6O/c1-3-4(2)5/h1H,3H2,2H3",83.44519,76.17733,
500,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],[O:1]=[C:2]=[C:5]([C:4]([C:3]([H:6])([H:7])[H:11])([H:8])[H:9])[H:10],InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2,"InChI=1S/C4H6O/c1-2-3-4-5/h3H,2H2,1H3",81.08479,0.59917,
501,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],[O-:1][C:2]([C:3]([C:4]([H:8])([H:9])[H:11])([H:6])[H:7])=[C+:5][H:10],InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2,"InChI=1S/C4H6O/c1-3-4(2)5/h2H,3H2,1H3",75.06915,69.88817,
502,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],[O:1]([C:2]1=[C:5]([H:10])[C:4]([H:8])([H:9])[C:3]1([H:6])[H:7])[H:11],InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2,"InChI=1S/C4H6O/c5-4-2-1-3-4/h2,5H,1,3H2",78.99571,14.9095,ketoenol
503,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],[H:9][H:11].[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])=[C:5]1[H:10],InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2,"InChI=1S/C4H4O.H2/c5-4-2-1-3-4;/h1-2H,3H2;1H",98.58925,32.86088,
504,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],[C:4](=[C:5]([H:10])[H:11])([H:8])[H:9].[O:1]=[C:2]=[C:3]([H:6])[H:7],InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2,InChI=1S/C2H2O.C2H4/c1-2-3;1-2/h1H2;1-2H2,56.74912,22.24355,
505,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:13])[C:3]([H:10])=[C:4]([H:11])[C:5]([H:12])=[C-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-4,6H,1H3",86.67562,78.26418000000001,
506,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:6]([H:13])[C:5]([H:12])=[C:4]([H:11])[C:3]1([H:8])[H:10])([H:7])[H:9],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-4H,1,5H2",95.2696,50.98556,
507,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:6](/[C:5](=[C:4]=[C:3]([H:10])[H:11])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-3-4-5-6-2/h4-5H,1H2,2H3/b6-5+",72.10096999999999,42.81695,
508,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:3]=[C:4]([H:11])[C:5]([H:12])=[C:6]1[H:13])([H:7])[H:9].[H:8][H:10],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H5N.H2/c1-6-4-2-3-5-6;/h2-4H,1H2;1H",123.23698999999999,101.79848,
509,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C-:4]=[C:5]([H:12])[C+:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2,4H,5H2,1H3",72.01758000000001,66.47735,Singlet_Carbene_Intra_Disproportionation
510,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:6]=[C:5]([H:12])[H:13])([H:7])([H:8])[H:9].[C:3](#[C:4][H:11])[H:10],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C3H5N.C2H2/c1-3-4-2;1-2/h1H2,2H3;1-2H",142.59287,73.01302,
511,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C-:1]([N+:2]1([H:8])[C:3]([H:10])=[C:4]([H:11])[C:5]([H:12])=[C:6]1[H:13])([H:7])[H:9],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-6H,1H2",97.24074,92.11069,
512,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@:6]1([H:13])[N:2]=[C:3]([H:10])[C:4]([H:11])=[C:5]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-5H,1H3/t5-/m0/s1",63.17966,9.385689999999999,
513,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:6]([H:13])[C:5]([H:8])([H:12])[C:4]([H:11])=[C:3]1[H:10])([H:7])[H:9],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2,4-5H,1,3H2",109.64442,55.3358,
514,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:12])[C:4]([H:11])=[C:5]=[C:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2,5H,4H2,1H3",93.13164,70.55088,
515,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[N:2]2[C@:3]1([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]2([H:8])[H:13],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-2-5-4-6(5)3-1/h1-2,5H,3-4H2/t5-,6?/m1/s1",107.39578999999999,35.10559,
516,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13],[C:1]([C:2](=[C:3]([H:10])[H:11])[H:8])([C:5]([O:4][H:9])([H:12])[H:13])([H:6])[H:7],InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2,"InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2",83.0159,8.1558,
517,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[O+:4][C-:5]1[H:12].[H:11][H:13],InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2,"InChI=1S/C4H6O.H2/c1-2-4-5-3-1;/h3-4H,1-2H2;1H",85.33643000000001,80.20931,
518,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13],[C:1](=[C:2]([H:8])[H:9])([C:5]([H:7])([H:12])[H:13])[H:6].[C:3](=[O:4])([H:10])[H:11],InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2,"InChI=1S/C3H6.CH2O/c1-3-2;1-2/h3H,1H2,2H3;1H2",88.29351,22.73969,
519,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13],[C:1]([C:2]([C:3]([O+:4]=[C-:5][H:12])([H:10])[H:11])([H:8])[H:9])([H:6])([H:7])[H:13],InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2,"InChI=1S/C4H8O/c1-3-4-5-2/h2H,3-4H2,1H3",81.48366,62.57122,
520,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13],[C:1]1([H:6])=[C:5]([H:12])[O:4][C:3]([H:10])([H:11])[C:2]1([H:8])[H:9].[H:7][H:13],InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2,"InChI=1S/C4H6O.H2/c1-2-4-5-3-1;/h1,3H,2,4H2;1H",110.57701999999999,25.37148,
521,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13],[C:1](=[C:5]([H:12])[H:13])([H:6])[H:7].[C:2]1([H:8])([H:9])[C:3]([H:10])([H:11])[O:4]1,InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2,InChI=1S/C2H4O.C2H4/c1-2-3-1;1-2/h1-2H2;1-2H2,114.92416999999999,43.231770000000004,
522,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O:1]=[C:2]=[C:6]([C:5]([N:4]=[C:3]([H:7])[H:8])([H:9])[H:10])[H:11],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c1-5-3-2-4-6/h2H,1,3H2",32.56024,-12.83037,
523,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O-:1][C:2]1=[C:6]2[N+:4]([H:11])([C:3]1([H:7])[H:8])[C:5]2([H:9])[H:10],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h6H,1-2H2",58.17759,41.468790000000006,
524,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[C:3]1([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@:6]12[H:11].[O+:1]#[C-:2],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C3H5N.CO/c1-3-2-4(1)3;1-2/h3H,1-2H2;/t3-,4?;",74.71754,11.34468,
525,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[N:4]1=[C:6]([H:11])[C:5]1([H:9])[H:10].[O:1]=[C:2]=[C:3]([H:7])[H:8],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C2H3N.C2H2O/c1-2-3-1;1-2-3/h1H,2H2;1H2",67.03169,21.38488,
526,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[N+:4]2([H:10])[C-:5]([H:9])[C@@:6]12[H:11],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h1,3,5H,2H2/t3-/m0/s1",65.19003000000001,49.31666,
527,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O-:1][C:2]1=[C:6]([H:11])[N+:4](=[C:5]([H:9])[H:10])[C:3]1([H:7])[H:8],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c1-5-2-4(6)3-5/h2H,1,3H2",55.87075,2.97877,
528,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[C:3](=[N:4][C:6](=[C:5]([H:9])[H:10])[H:11])([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C3H5N.CO/c1-3-4-2;1-2/h3H,1-2H2;",69.90748,-14.710729999999998,
529,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O-:1][C:2]([C:3]([N:4]=[C:5]([H:9])[H:10])([H:7])[H:8])=[C+:6][H:11],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c1-4(6)3-5-2/h1H,2-3H2",61.65428000000001,58.14611,
530,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O:1]([C:2]1=[C:3]([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h2-3,6H,1H2/t3-,5?/m0/s1",81.74889,24.50854,ketoenol
531,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O-:1][C:2]1=[C:3]([H:8])[N+:4]2([H:7])[C:5]([H:9])([H:10])[C@@:6]12[H:11],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h2-3,6H,1H2/t3-,5?/m0/s1",72.29818,37.18046,
532,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[C-:3]([N+:4]1=[C:6]([H:11])[C:5]1([H:9])[H:10])([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C3H5N.CO/c1-4-2-3-4;1-2/h2H,1,3H2;",56.75958000000001,43.734759999999994,
533,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O:1]([C:2]1=[C:6]2[N:4]([C:3]1([H:7])[H:8])[C:5]2([H:9])[H:10])[H:11],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h6H,1-2H2",82.07204,55.11253000000001,ketoenol
534,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([H:7])[H:8])([H:4])([H:5])[H:6],[C:1]([C:2](=[C:3]([H:10])[H:11])[H:8])([H:4])([H:5])[H:7].[H:6][H:9],"InChI=1S/C3H8/c1-3-2/h3H2,1-2H3","InChI=1S/C3H6.H2/c1-3-2;/h3H,1H2,2H3;1H",116.14608999999999,30.38775,
535,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([H:7])[H:8])([H:4])([H:5])[H:6],[C:1](=[C:2]([H:7])[H:8])([H:4])[H:5].[C:3]([H:6])([H:9])([H:10])[H:11],"InChI=1S/C3H8/c1-3-2/h3H2,1-2H3",InChI=1S/C2H4.CH4/c1-2;/h1-2H2;1H4,115.42161999999999,20.91602,
536,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]([C@@:2]1([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C:6]1([H:8])[H:12])[H:7],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c1-4-2-5-3-6-4/h1,4H,2-3H2/t4-/m1/s1",66.04929,67.10006,
537,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]1([H:7])=[C:6]([H:12])[C:2]1([O:3][C:4]([O:5][H:8])([H:10])[H:11])[H:9],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h1-2,4-5H,3H2",76.02116,24.97064,
538,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]([C:2](=[O:3])[H:9])([C:6](=[O+:5][C-:4]([H:10])[H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c1-6-4-2-3-5/h3-4H,1-2H2",58.39609,45.187259999999995,
539,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1](=[C:6]([O:5][C:4]([O+:3]=[C-:2][H:9])([H:10])[H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c1-3-6-4-5-2/h2-3H,1,4H2",61.39264,50.02272,
540,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:12])[O:3][C:4]([H:10])([H:11])[O+:5]=[C-:6]1,"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c1-2-5-4-6-3-1/h1-2,4H2",57.57818,31.29632,
541,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]([C@@:2]1([H:9])[O:3][C:4]([H:10])([H:11])[O+:5]=[C-:6]1)([H:7])([H:8])[H:12],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c1-4-2-5-3-6-4/h4H,3H2,1H3/t4-/m1/s1",53.18051,21.01879,
542,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]([C:2](=[O:3])[H:9])([C@@:6]1([H:12])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1",66.55928,-6.9497800000000005,
543,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]([C@@:2]1([H:9])[O:3][C:4]([H:10])=[O+:5][C-:6]1[H:12])([H:7])([H:8])[H:11],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c1-4-2-5-3-6-4/h2-4H,1H3/t4-/m1/s1",71.33599,35.315220000000004,
544,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[O+:5][C-:6]1[H:12],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c1-2-5-4-6-3-1/h2,4H,1,3H2",87.72185,37.72658,
545,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]1([H:7])([H:8])[C-:2]=[O+:3][C:4]([H:10])([H:11])[O+:5]=[C-:6]1.[H:9][H:12],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H4O2.H2/c1-2-5-4-6-3-1;/h1,4H2;1H",108.5515,101.2059,
546,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O+:3]=[C-:4][O:5][C@:6]12[H:12].[H:10][H:11],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H4O2.H2/c1-3-4(1)6-2-5-3;/h3-4H,1H2;1H/t3-,4+;",79.61032,40.98284,
547,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]1([H:7])([H:8])[C-:2]2[O:3][C:4]([H:11])=[O+:5][C@@:6]12[H:12].[H:9][H:10],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H4O2.H2/c1-3-4(1)6-2-5-3;/h2-3H,1H2;1H/t3-;/m0./s1",103.14065,75.00241,
548,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H8O/c1-3-5(2)4-6/h6H,3-4H2,1H3",51.49221,50.27298,
549,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]=[C:5]([H:12])[H:13])[O:6][H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H8O/c1-3-5(6)4-2/h6H,1,4H2,2H3",68.24224,-1.27159,
550,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C:4][C:5]([O:6][H:14])([H:12])[H:13])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-3,6H,5H2,1H3/b3-2-",73.59085,50.61691,
551,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:4](=[C:3]=[C:2]([H:10])[H:11])[C:5]([O:6][H:14])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H8O/c1-3-5(2)4-6/h6H,1,4H2,2H3",94.2963,-0.58729,
552,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:10])([H:11])[C:3]1=[C:4]=[C:5]([O:6][H:14])[H:12].[H:9][H:13],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H6O.H2/c6-4-3-5-1-2-5;/h4,6H,1-2H2;1H",94.41712,42.64124,
553,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([C:5]([O:6][H:14])([H:12])[H:13])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,4,6H,5H2,1H3",80.19265,-0.98009,
554,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]=[C:5]([O:6][H:14])[H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H8O/c1-2-3-4-5-6/h3,5-6H,2H2,1H3",71.11435999999999,-1.81665,
555,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]=[C:5]([O:6][H:14])[H:12])[H:11])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H6O.H2/c1-2-3-4-5-6;/h2,5-6H,1H3;1H",76.99276,32.0967,
556,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:10])([H:11])[C:3]1=[C:4]([C:5]([O:6][H:14])([H:12])[H:13])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h3,6H,1-2,4H2",99.35203,4.99896,
557,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]([C:2](=[C:3]([H:10])[H:11])[H:9])([C:6](=[O+:5][C-:4]([H:12])[H:13])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-3-4-5-6-2/h3,5H,1-2,4H2",75.56504,64.28992,
558,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([C:6][H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h1,5H,2-4H2/t5-/m0/s1",129.39164,86.27935,
559,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@@:3]1([H:10])[C:4]([H:12])([H:13])[O:5][C:6]2([H:11])[H:14],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+",106.70773999999999,-4.02208,
560,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:13])[C:3]([H:10])([H:11])[C:4]([H:12])=[O+:5][C-:6]1[H:14],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h4-5H,1-3H2",95.00737,38.95778,
561,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@:2]([C:3]([H:10])([H:11])[H:13])([H:9])[C@:6]1([O+:5]=[C-:4][H:12])[H:14],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-3-5(4)6-2/h2,4-5H,3H2,1H3/t4-,5+/m1/s1",83.4687,58.41038,
562,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@:2]([C:3][H:11])([H:9])[C@:6]1([O:5][C:4]([H:10])([H:12])[H:13])[H:14],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-3-5(4)6-2/h1,4-5H,3H2,2H3/t4-,5+/m1/s1",89.41223000000001,83.69672,
563,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2][C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1([H:9])[H:14],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1",InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2-5H2,67.58629,61.30591999999999,
564,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:14])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O+:5]=[C-:6]1,"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1",InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-4H2,57.33024,32.48728,
565,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C-:4]([H:13])[O+:5]=[C:6]1[H:14])([H:7])([H:8])[H:12],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h3-5H,2H2,1H3/t5-/m0/s1",71.66704,42.54353,
566,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1](=[C:6]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:14])([H:7])[H:8].[C:4](=[O:5])([H:12])[H:13],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C4H6.CH2O/c1-3-4-2;1-2/h3-4H,1-2H2;1H2",74.59635,17.21066,
567,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]([C@@:6]1([H:14])[C:2]([H:7])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)[H:8],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h1,5H,2-4H2/t5-/m0/s1",65.06183,66.38858,
568,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:6]([H:14])[O:5][C:4]([H:12])([H:13])[C:3]1([H:10])[H:11],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2",115.22256999999999,-15.77772,
569,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@:2]([C:3]([C:4][H:12])([H:10])[H:11])([H:9])[C@:6]1([O:5][H:13])[H:14],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-2-4-3-5(4)6/h1,4-6H,2-3H2/t4-,5+/m1/s1",82.26966,80.28497,
570,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C-:4]([H:12])[O+:5]=[C:6]12.[H:13][H:14],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H6O.H2/c1-2-6-5-3-4(1)5;/h2,4H,1,3H2;1H/t4-;/m1./s1",104.83768,91.72426,
571,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]([C@@:2]1([H:9])[C@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]12[H:14])([H:7])([H:8])[H:10],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4-,5+/m0/s1",103.45924000000001,19.736079999999998,
572,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1](/[C:2](=[C:3](\[C:4]([H:10])([H:12])[H:13])[H:11])[H:9])([C:6](=[O:5])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-3,5H,4H2,1H3/b3-2-",67.73692,-12.62477,
573,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]([C@@:6]1([H:14])[C:2][C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,2,4H2,1H3/t5-/m0/s1",62.10405,54.5078,
574,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:6]1[H:14].[C:3]1([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1,"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C3H4.C2H4O/c2*1-2-3-1/h1-2H,3H2;1-2H2",122.08285,66.1802,
575,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:8])=[C:6]([H:14])[C:2]1([C:3]([C:4]([O:5][H:7])([H:12])[H:13])([H:10])[H:11])[H:9],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h1-2,5-6H,3-4H2",77.1305,31.69218,
576,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1](=[C:6]([O:5][C:4]([C:3](=[C:2]([H:9])[H:11])[H:10])([H:12])[H:13])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-3-5-6-4-2/h3-4H,1-2,5H2",97.22816999999999,7.108289999999999,
577,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O+:5]=[C-:6]1)([H:7])([H:8])[H:14],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h5H,2-3H2,1H3/t5-/m0/s1",53.34919,25.64398,
578,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3][C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14].[H:10][H:11],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H6O.H2/c1-2-6-5-3-4(1)5;/h4-5H,2-3H2;1H/t4-,5+;/m1./s1",95.91145999999999,86.5919,
579,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1](=[C:2]([C:3]([C:4]([O+:5]=[C-:6][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-3-4-5-6-2/h2-3H,1,4-5H2",69.72279,53.9817,
580,[O:1]=[C:2]([C:3]#[C:4][C:5]#[N:6])[H:7],[O+:1](=[C-:2][H:7])[C:3]#[C:4][C:5]#[N:6],InChI=1S/C4HNO/c5-3-1-2-4-6/h4H,InChI=1S/C4HNO/c1-6-4-2-3-5/h1H,102.70812,78.40217,
581,[O:1]=[C:2]([C:3]#[C:4][C:5]#[N:6])[H:7],[O:1]=[C:2]([C:3]#[C:4][N+:6]#[C-:5])[H:7],InChI=1S/C4HNO/c5-3-1-2-4-6/h4H,InChI=1S/C4HNO/c1-5-3-2-4-6/h4H,60.85354,25.17863,
582,[O:1]=[C:2]([C:3]#[C:4][C:5]#[N:6])[H:7],[O:1]=[C:2]([C:3](=[C-:4])[N+:6]#[C:5])[H:7],InChI=1S/C4HNO/c5-3-1-2-4-6/h4H,InChI=1S/C4HNO/c1-4(3-6)5-2/h3H,92.01496999999999,78.68508,
583,[O:1]=[C:2]([C:3]#[C:4][C:5]#[N:6])[H:7],[O:1]=[C:2]([C:3](=[C:4])[C:5]#[N:6])[H:7],InChI=1S/C4HNO/c5-3-1-2-4-6/h4H,InChI=1S/C4HNO/c1-4(2-5)3-6/h3H,53.25671,52.71553,
584,[O:1]=[C:2]([C:3]#[C:4][C:5]#[N:6])[H:7],[O:1]=[C:2]=[C:3]=[C:4]=[C:5]=[N:6][H:7],InChI=1S/C4HNO/c5-3-1-2-4-6/h4H,InChI=1S/C4HNO/c5-3-1-2-4-6/h5H,84.73376,28.9365,
585,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[N:1](=[C:2]1/[C@@:3]2([H:7])[C@:4]1([H:8])[C:5]([H:10])([H:11])[N:6]2[H:12])\[H:9],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H6N2/c5-3-2-1-6-4(2)3/h2,4-6H,1H2/b5-3+/t2-,4-/m1/s1",108.4711,39.863009999999996,
586,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[N:1](=[C:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])[H:7],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h5-6H,1-2H2",90.4898,26.956840000000003,
587,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[H:7][H:11].[N-:1]=[C:2]=[C:3]1[C:4]([H:8])([H:9])[C+:5]([H:10])[N:6]1[H:12],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H4N2.H2/c5-3-4-1-2-6-4;/h2,6H,1H2;1H",73.8538,60.51106,
588,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[N:1]#[C:2][C@@:3]1([H:7])[C-:4]([H:9])[C:5]([H:10])([H:11])[N+:6]1([H:8])[H:12],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H5N2/c5-3-4-1-2-6-4/h1,4,6H,2H2/q-1/p+1/t4-/m1/s1",78.51013,70.20401,
589,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[N:1]#[C:2][C@@:3]1([H:7])[C-:4]([H:9])[N+:6]1([C:5]([H:8])([H:10])[H:11])[H:12],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h3-4,6H,1H3/t4-/m0/s1",100.45172,60.07011,
590,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[N+:1](#[C-:2])[C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H6N2/c1-5-4-2-3-6-4/h4,6H,2-3H2/t4-/m1/s1",49.84022,19.07093,
591,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[H:10][H:11].[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5][N:6]1[H:12],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H4N2.H2/c5-3-4-1-2-6-4;/h4,6H,1H2;1H/t4-;/m1./s1",83.98976,60.961969999999994,
592,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[H:9][H:12].[N:1]#[C:2][C:3]1=[N:6][C:5]([H:10])([H:11])[C:4]1([H:7])[H:8],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1",InChI=1S/C4H4N2.H2/c5-3-4-1-2-6-4;/h1-2H2;1H,116.47203999999999,24.50851,
593,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[C:3]1([H:7])=[N:6][C:5]([H:10])([H:11])[C:4]1([H:8])[H:9].[N:1](=[C:2])[H:12],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C3H5N.CHN/c1-2-4-3-1;1-2/h2H,1,3H2;2H",52.82974,37.56734,
594,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[C:5](=[N:6][H:12])([H:10])[H:11].[N:1]#[C:2][C:3](=[C:4]([H:8])[H:9])[H:7],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C3H3N.CH3N/c1-2-3-4;1-2/h2H,1H2;2H,1H2",70.18126,10.42251,
595,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[N:1]#[C:2][C@@:3]([C:4]([H:8])([H:9])[H:11])([N:6]([C:5][H:10])[H:12])[H:7],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H6N2/c1-4(3-5)6-2/h2,4,6H,1H3/t4-/m1/s1",90.85785,33.09101,
596,[O:1]=[c:2]1[n:3]([H:7])[n:4][n:5][n:6]1[H:8],[O-:1][c:2]1[n:3][n:4]([H:7])[n:5][n+:6]1[H:8],"InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)","InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)",64.83655,16.07359,
597,[O:1]=[c:2]1[n:3]([H:7])[n:4][n:5][n:6]1[H:8],[O:1]([c:2]1[n:3][n:4][n:5][n:6]1[H:8])[H:7],"InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)","InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)",56.27843000000001,8.468110000000001,ketoenol
598,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][n:6]1)([H:7])[H:8],[N:1]([c:2]1[c:3]([H:9])[n:4][n:5]([H:10])[n:6]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)",43.69715,-5.60829,
599,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][n:6]1)([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:7])([H:9])[N:4]([H:10])[N:5]=[N:6]1)\[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H2,(H2,3,4,5)",85.06676,19.745720000000002,
600,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][n:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:6][N:5]=[N:4][C:3]1([H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H2,(H2,3,4,5)",49.46974,14.029770000000001,
601,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][n:6]1)([H:7])[H:8],[N:1]([C:2]#[C:3][H:9])([H:7])[H:8].[N:4](=[N+:5]=[N-:6])[H:10],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H3N.HN3/c1-2-3;1-3-2/h1H,3H2;1H",91.12552,62.79104,
602,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][n:6]1)([H:7])[H:8],[N:1]([C:2](/[C:3](=[N:4]/[H:10])[H:9])=[N+:6]=[N-:5])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-2(4)6-5/h1,3H,4H2/b3-1+",35.308409999999995,23.315520000000003,
603,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][n:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:6][C@:3]1([N+:4](=[N-:5])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-2(5-1)6-4/h2,6H,(H2,3,5)/t2-/m0/s1",108.78625,64.18021999999999,
604,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C-:3]([N+:4]1=[C:6]([H:16])[C:5]1([H:14])[H:15])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:17],"InChI=1S/C5H11N/c1-2-3-6-4-5-6/h2-5H2,1H3","InChI=1S/C5H9N.H2/c1-2-3-6-4-5-6;/h3-4H,2,5H2,1H3;1H",82.32163,69.39872,
605,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:5]([N:4]=[C:6]([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-2-3-6-4-5-6/h2-5H2,1H3","InChI=1S/C5H11N/c1-3-4-5-6-2/h2-5H2,1H3",92.56004,-14.479989999999999,
606,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([N+:4]([C-:5]([H:14])[H:15])=[C:6]([H:16])[H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-2-3-6-4-5-6/h2-5H2,1H3","InChI=1S/C5H11N/c1-4-5-6(2)3/h2-5H2,1H3",49.05728,24.036579999999997,
607,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([N+:4]1([H:16])[C:5]([H:14])([H:15])[C-:6]1[H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-2-3-6-4-5-6/h2-5H2,1H3","InChI=1S/C5H11N/c1-2-3-6-4-5-6/h4,6H,2-3,5H2,1H3",66.29581,52.541740000000004,
608,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[O:4][C@@:5]2([H:11])[C@:6]13[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:12])[O:4][C@@:5]2([H:11])[C:6]1,"InChI=1S/C5H6O/c1-2-4-3(1)5(2)6-4/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-2-5-4(1)3-6-5/h4-5H,1,3H2/t4-,5-/m0/s1",67.39945999999999,44.03927,
609,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[O:4][C@@:5]2([H:11])[C@:6]13[H:12],[C:1]([C@@:2]1([H:9])[C@:3]2([H:10])[O:4][C@@:5]1([H:11])[C:6]2)([H:7])([H:8])[H:12],"InChI=1S/C5H6O/c1-2-4-3(1)5(2)6-4/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-3-4-2-5(3)6-4/h3-5H,1H3/t3-,4+,5-",72.8727,42.51961,
610,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[O:4][C@@:5]2([H:11])[C@:6]13[H:12],[C:1](=[C:6]([C@:3]1([H:10])[C:2]([H:9])=[C:5]([H:11])[O:4]1)[H:12])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-4-3(1)5(2)6-4/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-2-5-3-4-6-5/h2-5H,1H2/t5-/m1/s1",85.56681999999999,-31.62758,
611,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[O:4][C@@:5]2([H:11])[C@:6]13[H:12],[C-:1]1([H:7])[C@:2]2([H:9])[C:3]3=[O+:4][C@:5]2([H:11])[C@@:6]13[H:12].[H:8][H:10],"InChI=1S/C5H6O/c1-2-4-3(1)5(2)6-4/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H4O.H2/c1-2-4-3(1)5(2)6-4;/h1-4H;1H/t2-,3+,4-;",89.99792,81.91338,
612,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[O:4][C@@:5]2([H:11])[C@:6]13[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C-:3]=[O+:4][C@@:5]2([H:11])[C:6]1([H:10])[H:12],"InChI=1S/C5H6O/c1-2-4-3(1)5(2)6-4/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-2-5-4(1)3-6-5/h4-5H,1-2H2/t4-,5-/m0/s1",58.66563000000001,7.64738,
613,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[O:4][C@@:5]2([H:11])[C@:6]13[H:12],[C:1]([C@@:6]1([H:12])[C@@:3]2([H:10])[C:2]([H:7])([H:9])[C@:5]1([H:11])[O:4]2)[H:8],"InChI=1S/C5H6O/c1-2-4-3(1)5(2)6-4/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-3-4-2-5(3)6-4/h1,3-5H,2H2/t3-,4+,5-",81.28586,70.55626,
614,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[O:4][C@@:5]2([H:11])[C@:6]13[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:6]1([C:5](=[O:4])[H:11])[H:12],"InChI=1S/C5H6O/c1-2-4-3(1)5(2)6-4/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c6-4-5-2-1-3-5/h1-2,4-5H,3H2/t5-/m0/s1",33.73945,-48.11518,
615,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[O:4][C@@:5]2([H:11])[C@:6]13[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])=[C:6]1[C@@:5]2([O:4][H:12])[H:11],"InChI=1S/C5H6O/c1-2-4-3(1)5(2)6-4/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c6-5-3-1-4(5)2-3/h1,3,5-6H,2H2/t3-,5-/m1/s1",87.20785,75.69858,
616,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[C:3](=[C:4]([O:5][H:6])[H:11])([H:9])[H:10].[O:1]=[C:2]([H:7])[H:8],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2","InChI=1S/C2H4O.CH2O/c1-2-3;1-2/h2-3H,1H2;1H2",35.47984,23.10824,Retroene
617,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[H:9][H:11].[O:1]([C:2]([C:3](=[C:4]=[O:5])[H:10])([H:7])[H:8])[H:6],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2","InChI=1S/C3H4O2.H2/c4-2-1-3-5;/h1,4H,2H2;1H",80.41677,27.922990000000002,
618,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3]([C:4][O:5][H:11])([H:9])[H:10])([H:7])[H:8])[H:6],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2","InChI=1S/C3H6O2/c4-2-1-3-5/h4-5H,1-2H2",80.07087,51.21402,
619,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2]([O:5][C:4](=[C:3]([H:9])[H:10])[H:11])([H:7])[H:8])[H:6],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2","InChI=1S/C3H6O2/c1-2-5-3-4/h2,4H,1,3H2",76.18709,12.257480000000001,ketoenol
620,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[C:2](=[C:3]([C:4](=[O:5])[H:11])[H:10])([H:7])[H:8].[O:1]([H:6])[H:9],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2","InChI=1S/C3H4O.H2O/c1-2-3-4;/h2-3H,1H2;1H2",56.84976999999999,8.08858,"1,3_Insertion_ROR"
621,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[C-:4]#[O+:5].[C:2](=[C:3]([H:9])[H:10])([H:7])[H:8].[O:1]([H:6])[H:11],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2",InChI=1S/C2H4.CO.H2O/c2*1-2;/h1-2H2;;1H2,71.37099,9.42963,
622,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]1[C:2]([H:7])([H:8])[C:3]([H:9])([H:10])[C@@:4]1([O:5][H:6])[H:11],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2","InChI=1S/C3H6O2/c4-3-1-2-5-3/h3-4H,1-2H2/t3-/m1/s1",49.6173,10.47143,
623,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[C-:4]#[O+:5].[O:1]([C:2]([C:3]([H:7])([H:9])[H:10])([H:8])[H:11])[H:6],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2","InChI=1S/C2H6O.CO/c1-2-3;1-2/h3H,2H2,1H3;",109.8782,-3.65424,"1,2_Insertion_CO"
624,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2](/[C:3](=[C:4](/[O:5][H:9])[H:11])[H:10])([H:7])[H:8])[H:6],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2","InChI=1S/C3H6O2/c4-2-1-3-5/h1-2,4-5H,3H2/b2-1+",66.20649,8.52576,ketoenol
625,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[C:3]([C:4](=[O:5])[H:11])([H:7])([H:9])[H:10].[O:1]([C:2][H:8])[H:6],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2","InChI=1S/C2H4O.CH2O/c1-2-3;1-2/h2H,1H3;1-2H",79.63835,66.73357,
626,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[N:3](=[C:4]([H:9])[H:10])[H:8].[O:1]=[C:2]([C:5]#[C:6][H:11])[H:7],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C3H2O.CH3N/c1-2-3-4;1-2/h1,3H;2H,1H2",92.86057,38.08238,
627,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1](/[C:2](=[N:3]/[H:8])[H:7])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-6-4-5/h1,4-5H,3H2/b5-4+",72.13691,16.718770000000003,ketoenol
628,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O-:1][C:6]#[C:5][C:4]([N:3]([C+:2]([H:7])[H:11])[H:8])([H:9])[H:10],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-5-3-2-4-6/h5H,1,3H2",136.37975,50.75407,
629,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:2]([C@@:4]([N:3]([H:8])[H:10])([C:5]#[C:6][H:11])[H:9])[H:7],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-4(5)3-6/h1,3-4H,5H2/t4-/m0/s1",85.89976,18.41897,
630,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:2]([N:3]([C:4]([C:6](=[C:5])[H:11])([H:9])[H:10])[H:8])[H:7],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-5-4-6/h2,4H,3H2,(H,5,6)",55.1192,48.12692,Singlet_Carbene_Intra_Disproportionation
631,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:2]([N:3]([C:6](=[C:5]=[C:4]([H:9])[H:10])[H:11])[H:8])[H:7],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-5-4-6/h3-4H,1H2,(H,5,6)",75.66835,-1.1997799999999998,
632,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:2]([N:3]([C+:4]([C:5](=[C-:6][H:11])[H:10])[H:9])[H:8])[H:7],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-5-4-6/h1-4H,(H,5,6)",68.31354,41.8563,
633,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:5]1[C:4]([H:9])([H:10])[N:3]([H:8])[C:2]([H:7])=[C:6]1[H:11],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-2,5H,3H2",112.57593,-27.320970000000003,
634,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1](/[C:2](=[N:3]/[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)",46.13904,11.61385,ketoenol
635,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O+:1]1=[C:2]([H:7])[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C-:6]1,"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-5-4-6-3-1/h1,4-5H,2H2",45.560179999999995,47.456509999999994,
636,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:2]([C@:5]1([C:6][H:11])[N:3]([H:8])[C:4]1([H:9])[H:10])[H:7],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-4(3-6)2-5-4/h1,3,5H,2H2/t4-/m1/s1",108.89658,81.11728000000001,
637,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1]1[C@:2]([C:6](=[C:5]=[C:4]([H:9])[H:10])[H:11])([H:7])[N:3]1[H:8],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-4-5-6-4/h3-5H,1H2/t4-/m0/s1",110.95038999999998,61.39978000000001,
638,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O+:1](=[C:2]([N:3]([C-:4]([H:9])[H:10])[H:8])[H:7])[C:5]#[C:6][H:11],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-3-6-4-5-2/h1,4-5H,2H2",97.95244,78.66046,
639,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[H:7][H:8].[O:1]=[C:2]=[N:3][C:4]([C:5]#[C:6][H:11])([H:9])[H:10],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H3NO.H2/c1-2-3-5-4-6;/h1H,3H2;1H",80.05036,19.10142,
640,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[C:4](=[C:5]=[C:6]([H:7])[H:11])([H:9])[H:10].[O:1]=[C:2]=[N:3][H:8],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)",InChI=1S/C3H4.CHNO/c1-3-2;2-1-3/h1-2H2;2H,63.533409999999996,-2.27882,Retroene
641,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[N:3](=[C:4](/[C:5]#[C:6][H:11])[H:9])\[H:8].[O:1]=[C:2]([H:7])[H:10],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C3H3N.CH2O/c1-2-3-4;1-2/h1,3-4H;1H2/b4-3+;",89.60576999999999,38.22698,
642,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:2][C@@:6]1([H:14])[C@:4]([C:3]([H:8])([H:9])[H:10])([H:11])[C:5]1([H:12])[H:13])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-2-5(4)3-6/h4-6H,2H2,1H3/t4-,5-/m0/s1",67.25123,38.98747,
643,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4][C@:6]1([C:5]([H:11])([H:12])[H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4-6H,3H2,1H3/t4-,5+/m1/s1",67.63625,64.32403000000001,
644,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4][C:5]([H:12])([H:13])[C:6]1([H:11])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h5-6H,1,3-4H2/t5-/m1/s1",61.652069999999995,42.09149,
645,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:2]([C@@:6]1([H:14])[C@:4]([C:3][H:10])([H:11])[C:5]1([H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-2-5(4)3-6/h1,4-6H,2-3H2/t4-,5-/m0/s1",80.59931999999999,67.39066,
646,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]=[C:2]([C@@:6]1([H:14])[C@:4]([C:3]([H:7])([H:9])[H:10])([H:11])[C:5]1([H:12])[H:13])[H:8],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1",71.60911999999999,-17.98092,
647,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]([C:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-2-5(6)3-4/h1,4-6H,2-3H2/t4-,5+",67.31518,67.05339000000001,
648,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]([C:3]([C:4][H:11])([H:9])[H:10])([C:6](=[C:5]([H:12])[H:13])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-3-5(6)4-2/h1,4-6H,2-3H2/t5-/m0/s1",78.16408,70.87377,
649,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C+:2]1[C:3]([H:9])([H:10])[C-:4]([H:11])[C:5]([H:12])([H:13])[C:6]1([H:8])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,6H,2-4H2",89.57267,65.13543,
650,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:14])[C:5]([H:12])([H:13])[C:6]1)[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h5-6H,1-3H2/t5-/m0/s1",65.23495,49.104820000000004,
651,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]=[C:2]([C:3]([C:4]1([H:11])[C:5]([H:12])([H:13])[C:6]1([H:7])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2",66.30297,-14.09469,
652,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[H:7][H:12].[O:1]=[C:2]([C:3]([C:4]1([H:11])[C:5]([H:13])=[C:6]1[H:14])([H:9])[H:10])[H:8],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H6O.H2/c6-4-3-5-1-2-5;/h1-2,4-5H,3H2;1H",86.92426999999999,41.62149,
653,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H6O.H2/c6-5-2-3-1-4(3)5;/h3-4H,1-2H2;1H/t3-,4-;/m1./s1",83.0964,11.57668,
654,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[C:2]1([H:8])=[C:3]([H:10])[C@:4]2([H:11])[C:5]([H:12])([H:13])[C@:6]12[H:14].[O:1]([H:7])[H:9],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H6.H2O/c1-2-5-3-4(1)5;/h1-2,4-5H,3H2;1H2/t4-,5+;",79.6711,27.587120000000002,"1,3_Insertion_ROR"
655,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:6]1([C:5][H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h1,4-6H,2-3H2/t4-,5+/m1/s1",63.45188,63.18691,
656,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[H:7][H:14].[O:1]=[C:2]([C:6]12[C:3]([H:9])([H:10])[C:4]1([H:11])[C:5]2([H:12])[H:13])[H:8],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H6O.H2/c6-3-5-1-4(5)2-5;/h3-4H,1-2H2;1H",105.99803,27.084559999999996,
657,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:2]1=[C:6]([H:14])[C:5]([H:12])([H:13])[C:4]([H:8])([H:11])[C:3]1([H:9])[H:10])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h3,6H,1-2,4H2",89.58256999999999,-30.697609999999997,
658,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:2]([C:3]([C:4](=[C:5]([H:12])[H:13])[H:11])([H:9])[H:10])=[C:6]([H:8])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h3,6H,1-2,4H2",101.51365,-14.63345,
659,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:5]([C@:4]1([H:11])[C:3]([H:9])([H:10])[C:2]([H:8])=[C:6]1[H:14])([H:12])[H:13])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h1-2,5-6H,3-4H2/t5-/m0/s1",91.83796,1.3794799999999998,
660,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:11])([C@@:6]1([H:14])[C:4][C:5]1([H:12])[H:13])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h4-6H,2H2,1H3/t4-,5+/m0/s1",77.10031,66.33253,
661,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:2][C:3]([C:4]1([H:11])[C:5]([H:12])([H:13])[C:6]1([H:8])[H:14])([H:9])[H:10])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h5-6H,1-3H2",74.59418000000001,40.99017,
662,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1](/[C:2](=[C:6](/[C:5]([C:4](=[C:3]([H:9])[H:10])[H:11])([H:12])[H:13])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,4-6H,1,3H2/b5-4+",52.371590000000005,-10.82869,
663,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:6]1([C:5]([C:4][H:11])([H:12])[H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-2-4-3-5(4)6/h1,4-6H,2-3H2/t4-,5+/m1/s1",79.73008,78.84416999999999,
664,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:13])[C:6]1([H:12])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2",65.39313,-26.11215,
665,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[C:2]1[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14].[O:1]([H:7])[H:8],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H6.H2O/c1-2-5-3-4(1)5;/h4-5H,1,3H2;1H2/t4-,5+;/m0./s1",74.37040999999999,64.93288000000001,
666,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]#[C:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:4]([H:13])([H:14])[H:15])=[C:5]=[C:6]([C:3]([H:10])([H:11])[H:12])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3","InChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-3H3",93.13557,-4.15445,
667,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]#[C:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:4]([H:13])([H:14])[H:15])[C:3]([H:10])([H:12])[C:6]([H:11])([H:16])[C:5]1)([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3","InChI=1S/C6H10/c1-6(2)4-3-5-6/h3-4H2,1-2H3",93.92586999999999,60.398590000000006,
668,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]#[C:6][H:16])([H:7])([H:8])[H:9],[C:1]([C+:2]([C:3]([H:10])([H:11])[H:12])[C:5]([C:4]([H:13])([H:14])[H:15])=[C-:6][H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3","InChI=1S/C6H10/c1-5(2)6(3)4/h1H,2-4H3",85.53313,54.73829,
669,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[H:10])[C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3",75.52919,4.9993,
670,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4](=[O:5])([C:6]([H:14])([H:15])[H:16])[H:11],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2H,1H3",83.03361,27.6026,
671,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([H:10])[H:16])([H:7])([H:8])[H:9].[C:4](=[O:5])=[C:6]([H:14])[H:15],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C3H8.C2H2O/c1-3-2;1-2-3/h3H2,1-2H3;1H2",87.23216,23.26354,
672,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C-:1]([O+:5]=[C:4]([C:2]([C:3]([H:11])([H:12])[H:13])([H:9])[H:10])[C:6]([H:14])([H:15])[H:16])([H:7])[H:8],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C5H10O/c1-4-5(2)6-3/h3-4H2,1-2H3",106.66415,76.28581,
673,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O+:5]=[C-:4][C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C5H10O/c1-4-6-5(2)3/h5H,1-3H3",110.02453999999999,58.767630000000004,
674,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([O:5]/[C:4](=[C:2](/[C:3]([H:11])([H:12])[H:13])[H:10])[C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C5H10O/c1-4-5(2)6-3/h4H,1-3H3/b5-4+",99.07199,21.75584,ketoenol
675,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])=[C:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C5H10O/c1-4(2)5(3)6/h4,6H,3H2,1-2H3",64.87416,11.121960000000001,ketoenol
676,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([O:5][H:10])[C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C5H10O/c1-4(2)5(3)6/h6H,1-3H3",68.29092,10.540939999999999,ketoenol
677,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C-:4]=[O+:5][C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C5H10O/c1-5(2)4-6-3/h5H,1-3H3",114.61788999999999,66.74096,
678,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C@@:4]([C:6]([H:14])([H:15])[H:16])([H:10])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3/t4-/m0/s1",79.8693,20.82011,
679,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:4]([O-:5])[C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9].[C:3]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3",InChI=1S/C4H6O.CH4/c1-3-4(2)5;/h1-2H3;1H4,87.41685,82.97041,
680,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:7])([H:10])[N:4]([H:11])[C:5]([H:12])=[C:6]1[H:13])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-3,6H,1,4H2",93.82306,23.21947,
681,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C-:3][N+:4]([H:10])([H:11])[C:5]([H:12])=[C:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-3H,6H2,1H3",87.34451,78.53583,
682,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[N+:4]([H:11])([H:12])[C-:5]=[C:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2,4H,6H2,1H3",86.74835999999999,76.61341,
683,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C+:2]1[C:3]([H:10])([H:12])[N:4]([H:11])[C-:5]=[C:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2,6H,4H2,1H3",120.21256000000001,50.21873,
684,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C+:3]([H:10])[N:4]([H:11])[C:5]([H:7])([H:12])[C-:6]1[H:13])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2,4,6H,1,3H2",128.77081,71.31622,
685,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C@:6]1(/[C:5](=[N:4]/[H:11])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-4-2-5(4)3-6/h2-3,5-6H,1H3/b6-3+/t5-/m0/s1",104.04321,59.32966,
686,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C-:3]([H:10])[N+:4]([H:7])([H:11])[C:5]([H:12])=[C:6]1[H:13])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4H,1,6H2",126.6874,82.34101,
687,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C-:6][C:5]([H:12])([H:13])[N:4]([H:11])[C+:3]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h4,6H,3H2,1H3",71.37145,66.6898,Singlet_Carbene_Intra_Disproportionation
688,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[N:4]/[H:11])[H:10])=[C:6]=[C:5]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-3-5(2)4-6/h4,6H,1H2,2H3/b6-4+",105.99286000000001,43.803740000000005,
689,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C+:1]([C:2]1=[C:3]([H:10])[N:4]([H:11])[C-:5]([H:12])[C:6]1([H:7])[H:13])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h3-4,6H,1-2H2",96.41346,56.661480000000005,
690,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:13])[C:5]([H:11])([H:12])[N:4]=[C:3]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2,4H,3H2,1H3",45.15293,14.00753,
691,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3][N:4]([H:11])[C:5]([H:12])=[C:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-3,5-6H,1H3/t5-/m1/s1",60.65981,54.601780000000005,Singlet_Carbene_Intra_Disproportionation
692,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[C:6](/[C:5](=[N:4]/[H:11])[H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-2-3-4-5-6/h2,4-6H,1H3/b6-5+",109.31069,43.75447,
693,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:6](=[C:2]=[C:3]([N:4]([C:5][H:12])[H:11])[H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-3-4-5-6-2/h2-3,5-6H,1H3",159.44028,93.11221,
694,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C+:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c-:5][c:6]1[H:13])([H:8])[H:9].[H:7][H:12],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H5N.H2/c1-5-2-3-6-4-5;/h2,4,6H,1H2;1H",152.25739,101.19348000000001,
695,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:13])[C:5]([H:12])=[N:4][C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-3H,4H2,1H3",45.46455,13.585920000000002,
696,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C+:3]([H:10])[N:4]([H:11])[C:5]([H:12])=[C-:6]1)([H:8])[H:9].[H:7][H:13],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H5N.H2/c1-5-2-3-6-4-5;/h3-4,6H,1H2;1H",127.93443,107.39833,
697,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:13])[C+:3]([H:10])[N:4]([H:11])[C:5]([H:12])=[C-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h3-6H,1H3/t5-/m0/s1",81.64636,81.69828000000001,
698,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]12[C@@:3]3([H:10])[N:4]([H:11])[C@:5]1([H:12])[C@@:6]23[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3(5)6-4(2)5/h2-4,6H,1H3/t2-,3-,4+,5+",135.48062,89.95824,
699,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@:3]1([H:10])[C-:2]=[C:6]([H:13])[C+:5]([H:12])[N:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2,4-6H,1H3/t5-/m1/s1",88.14146,67.17385999999999,
700,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[N:4]([H:11])[C:5][C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h4,6H,2H2,1H3",61.257290000000005,51.07752,Singlet_Carbene_Intra_Disproportionation
701,[C:1]([O:2][C:3]([C:4]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[O:2]=[C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([H:10])[H:11])[C:6]([H:16])([H:17])[H:18],"InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3","InChI=1S/C4H8O.CH4/c1-3-4(2)5;/h3H2,1-2H3;1H4",101.22308000000001,-7.073360000000001,
702,[C:1]([O:2][C:3]([C:4]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:8])[H:9].[C:4]([H:7])([H:10])([H:11])[H:12],"InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3","InChI=1S/C4H8O.CH4/c1-4(2)5-3;/h3H2,1-2H3;1H4",87.77976,65.62248000000001,
703,[C:1]([O:2][C:3]([C:4]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([O:2][C:4]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:3]([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18],"InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3",InChI=1S/C3H6.C2H6O/c2*1-3-2/h2*1-2H3,125.26981,96.16450999999999,
704,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:10])[C:3]([H:11])=[C:4]([O-:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2,6H,3H2,1H3",59.558040000000005,28.209670000000003,
705,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([N+:2]12[C:3]([H:10])([H:11])[C-:4]([O:5]1)[C:6]2([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-2-4(3-5)6-5/h2-3H2,1H3",140.76892,132.83706,
706,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([O:5][H:12])=[C:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2,6H,3H2,1H3",79.65538000000001,18.0522,ketoenol
707,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:6]([H:12])[H:13])([H:7])([H:8])[H:9].[C:3](=[C:4]=[O:5])([H:10])[H:11],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C2H5N.C2H2O/c1-3-2;1-2-3/h1H2,2H3;1H2",57.268159999999995,9.50125,
708,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([N+:2]1=[C:6]([H:12])[C:4]([O-:5])=[C:3]1[H:11])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C4H5NO.H2/c1-5-2-4(6)3-5;/h2-3H,1H3;1H",80.89611,69.75856,
709,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C-:4]#[O+:5].[C:1]([N+:2]([C-:3]([H:10])[H:11])=[C:6]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C3H7N.CO/c1-4(2)3;1-2/h1-2H2,3H3;",42.978609999999996,30.57255,
710,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[N:2]([H:8])[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c6-4-1-2-5-3-4/h5H,1-3H2",80.9383,-23.13606,
711,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([O:5][C:4]12[N:2]([C:3]1([H:10])[H:11])[C:6]2([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-6-4-2-5(4)3-4/h2-3H2,1H3",111.58573999999999,36.02882,
712,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1](=[N+:2]1[C:3]([H:10])([H:11])[C:4]([O-:5])=[C:6]1[H:13])([H:7])[H:9].[H:8][H:12],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C4H5NO.H2/c1-5-2-4(6)3-5;/h2H,1,3H2;1H",63.0093,37.013490000000004,
713,[O:1]([C:2]([C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8])[H:6],[C:2](=[C:3]([H:9])[H:10])([H:7])[H:8].[C:4](=[O:5])([H:11])[H:12].[O:1]([H:6])[H:13],"InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2",InChI=1S/C2H4.CH2O.H2O/c2*1-2;/h1-2H2;1H2;1H2,64.6553,29.96776,
714,[O:1]([C:2]([C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3]([C:4][H:11])([H:9])[H:10])([H:7])[H:8])[H:6].[O:5]([H:12])[H:13],"InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2","InChI=1S/C3H6O.H2O/c1-2-3-4;/h1,4H,2-3H2;1H2",82.6386,91.29127,
715,[O:1]([C:2]([C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8])[H:6],[H:6][H:11].[O:1]([C:2]([C:3]([C:4](=[O:5])[H:12])([H:9])[H:10])([H:7])[H:8])[H:13],"InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2","InChI=1S/C3H6O2.H2/c4-2-1-3-5;/h2,5H,1,3H2;1H",66.51521,16.42802,
716,[O:1]([C:2]([C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8])[H:6],[C:2]1([H:7])([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5]1.[O:1]([H:6])[H:13],"InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2",InChI=1S/C3H6O.H2O/c1-2-4-3-1;/h1-3H2;1H2,80.64075,22.62138,
717,[O:1]([C:2]([C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3](=[C:4]([H:11])[H:12])[H:10])([H:7])[H:8])[H:6].[O:5]([H:9])[H:13],"InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2","InChI=1S/C3H6O.H2O/c1-2-3-4;/h2,4H,1,3H2;1H2",68.18168,13.228029999999999,"1,3_Insertion_ROR"
718,[O:1]([C:2]([C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8])[H:6],[C:4]([O:5][H:13])[H:11].[O:1]([C:2]([C:3]([H:9])([H:10])[H:12])([H:7])[H:8])[H:6],"InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2","InChI=1S/C2H6O.CH2O/c1-2-3;1-2/h3H,2H2,1H3;1-2H",86.99938,74.78516,
719,[C:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([c:2]1[o:3][c:6]([H:12])[c:5]([H:11])[c:4]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3",56.390440000000005,-28.98882,
720,[C:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[O+:3][C-:5]=[C:6]([H:12])[C:4]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2H,3H2,1H3",59.15363000000001,44.69377,
721,[C:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:11])=[C:4](\[C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3","InChI=1S/C5H6O/c1-3-4-5(2)6/h1,4,6H,2H3/b5-4+",58.647180000000006,5.0526,ketoenol
722,[C:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:12])[C:5](=[O:3])[C:4]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3","InChI=1S/C5H6O/c1-4-2-5(6)3-4/h2H,3H2,1H3",111.27301999999999,-11.752889999999999,
723,[C:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([O:3][H:12])[C:4]([H:10])([H:11])[C:5]1=[C:6])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3","InChI=1S/C5H6O/c1-4-3-5(4,2)6/h6H,3H2,2H3/t5-/m1/s1",81.36465,67.58533,
724,[C:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:8])[H:9].[C:4](=[C:5]=[C:6]([H:7])[H:12])([H:10])[H:11],"InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3",InChI=1S/C3H4.C2H2O/c1-3-2;1-2-3/h1-2H2;1H2,65.71998,21.101860000000002,Retroene
725,[C:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:6](=[C:5]=[C:4]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3","InChI=1S/C5H6O/c1-3-4-5(2)6/h4H,1H2,2H3",61.47955,-3.17256,
726,[C:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:7])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3","InChI=1S/C5H6O/c1-3-4-5(2)6/h1,6H,2,4H2",66.61487,11.23657,ketoenol
727,[O:1]([C:2]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:7])[H:8])[H:6],[H:6][H:9].[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:7],"InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2","InChI=1S/C4H6O.H2/c5-3-4-1-2-4;/h3-4H,1-2H2;1H",104.41659,14.99019,
728,[O:1]([C:2]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:7])[H:8])[H:6],[C:2](=[C:3]1[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:7])[H:8].[O:1]([H:6])[H:9],"InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2",InChI=1S/C4H6.H2O/c1-4-2-3-4;/h1-3H2;1H2,76.55676,19.76673,"1,3_Insertion_ROR"
729,[O:1]([C:2]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:7])[H:8])[H:6],[C:4](=[C:5]([H:12])[H:13])([H:10])[H:11].[O:1]([C:2](=[C:3]([H:7])[H:9])[H:8])[H:6],"InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2","InChI=1S/C2H4O.C2H4/c1-2-3;1-2/h2-3H,1H2;1-2H2",97.12048,14.034460000000001,
730,[O:1]([C:2]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:7])[H:8])[H:6],[O:1]1[C:2]([H:7])([H:8])[C@@:3]1([C:4]([C:5]([H:6])([H:12])[H:13])([H:10])[H:11])[H:9],"InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2","InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1",72.52189,3.16348,
731,[O:1]([C:2]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:7])[H:8])[H:6],[O:1]([C:4]([C:5]([C:3](=[C:2]([H:7])[H:8])[H:9])([H:12])[H:13])([H:10])[H:11])[H:6],"InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2","InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2",83.87338000000001,-3.54503,
732,[O:1]([C:2]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:7])[H:8])[H:6],[C:2]([H:7])[H:8].[O:1]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],"InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2","InChI=1S/C3H6O.CH2/c4-3-1-2-3;/h3-4H,1-2H2;1H2",131.7644,114.22358,
733,[O:1]([C:2]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:7])[H:8])[H:6],[C:3]1([H:9])=[C:5]([H:13])[C:4]1([H:10])[H:11].[H:6][H:12].[O:1]=[C:2]([H:7])[H:8],"InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2","InChI=1S/C3H4.CH2O.H2/c1-2-3-1;1-2;/h1-2H,3H2;1H2;1H",102.05485999999999,73.09376,
734,[C:1]([C:2]([C:3]([C:4]([O:5][C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:14])[H:15])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[O:5]([C:6]([H:16])([H:17])[H:18])[H:12],"InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3","InChI=1S/C4H8.CH4O/c1-3-4-2;1-2/h3H,1,4H2,2H3;2H,1H3",68.60537,14.50584,"1,3_Insertion_ROR"
735,[C:1]([C:2]([C:3]([C:4]([O:5][C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2](=[C:3]([C:4]([O:5][C:6]([H:16])([H:17])[H:18])([H:14])[H:15])[H:13])([H:10])[H:11],"InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3","InChI=1S/C4H8O.CH4/c1-3-4-5-2;/h3H,1,4H2,2H3;1H4",113.05838999999999,19.52175,
736,[C:1]([C:2]([C:3]([C:4]([O:5][C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:4]([O+:5]=[C:6]([H:16])[H:18])([H:14])[H:15].[C:1]([C:2]([C:3]([H:12])([H:13])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3","InChI=1S/C3H8.C2H4O/c2*1-3-2/h3H2,1-2H3;1-2H2",96.73241,75.19986999999999,
737,[C:1]([C:2]([C:3]([C:4]([O:5][C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4](=[O:5])([H:14])[H:15].[C:6]([H:11])([H:16])([H:17])[H:18],"InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3","InChI=1S/C3H6.CH2O.CH4/c1-3-2;1-2;/h3H,1H2,2H3;1H2;1H4",95.1226,23.61255,
738,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:9])([H:7])[H:8])[H:6],[O:1]=[C:2]([C:3]([C:5](=[C:4])[H:9])([H:7])[H:8])[H:6],"InChI=1S/C4H4O/c1-2-3-4-5/h1,4H,3H2","InChI=1S/C4H4O/c1-2-3-4-5/h2,4H,3H2",63.9548,50.3235,Singlet_Carbene_Intra_Disproportionation
739,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:9])([H:7])[H:8])[H:6],[O:1]=[C:2]([C:5](=[C:4]=[C:3]([H:7])[H:8])[H:9])[H:6],"InChI=1S/C4H4O/c1-2-3-4-5/h1,4H,3H2","InChI=1S/C4H4O/c1-2-3-4-5/h3-4H,1H2",56.665569999999995,-3.64006,
740,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:9])([H:7])[H:8])[H:6],[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[c:5]1[H:9],"InChI=1S/C4H4O/c1-2-3-4-5/h1,4H,3H2",InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H,55.64439,-31.70624,
741,[O:1]=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[O+:1](=[C-:2][H:7])[C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2","InChI=1S/C4H5NO/c1-6-4-2-3-5/h1H,2,4H2",117.97155,67.41242,
742,[O:1]=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[H:7][H:9].[O:1]=[C:2]=[C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])[H:8],"InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2","InChI=1S/C4H3NO.H2/c5-3-1-2-4-6;/h2H,1H2;1H",79.41964,30.08878,
743,[O:1]=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C@:2]2([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1=[N:6]2,"InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2","InChI=1S/C4H5NO/c1-2-4-5-3(1)6-4/h3H,1-2H2/t3-/m1/s1",100.68791999999999,101.43782,
744,[O:1]=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](\[C:4]([C:5]#[N:6])([H:10])[H:11])[H:8])[H:7])[H:9],"InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2","InChI=1S/C4H5NO/c5-3-1-2-4-6/h2,4,6H,1H2/b4-2-",72.88288,8.34895,ketoenol
745,[O:1]=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4]([N+:6]#[C-:5])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2","InChI=1S/C4H5NO/c1-5-3-2-4-6/h4H,2-3H2",60.44333,23.19012,
746,[O:1]=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:5]1=[N:6][C:4]1([H:10])[H:11],"InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2","InChI=1S/C4H5NO/c1-2-6-4-3-5-4/h2H,1,3H2",96.15697,58.234280000000005,
747,[C:1]([C@@:2]([O:3][H:11])([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@@:4]1([C:5]([C:6]([H:11])([H:15])[H:16])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5-/m1/s1",72.95107,2.37586,
748,[C:1]([C@@:2]([O:3][H:11])([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](/[C:5]([C:6]([O:3][H:11])([H:15])[H:16])([H:13])[H:14])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H10O/c1-2-3-4-5-6/h2-3,6H,4-5H2,1H3/b3-2+",85.32401999999999,-2.19996,
749,[C:1]([C@@:2]([O:3][H:11])([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([O:3][H:11])([H:7])([H:8])[H:9].[C:2]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10],"InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H6.CH4O/c1-4-2-3-4;1-2/h1,4H,2-3H2;2H,1H3",127.39599,98.76547,
750,[C:1]([C@@:2]([O:3][H:11])([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:4]1[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9].[O:3]([H:11])[H:12],"InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8.H2O/c1-2-5-3-4-5;/h2H,3-4H2,1H3;1H2",74.70359,21.1962,"1,3_Insertion_ROR"
751,[C:1]([C@@:2]([O:3][H:11])([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])[H:8].[O:3]([H:9])[H:11],"InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8.H2O/c1-2-5-3-4-5;/h2,5H,1,3-4H2;1H2",66.25757,13.912189999999999,"1,3_Insertion_ROR"
752,[C:1]([C@@:2]([O:3][H:11])([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4][C:5]([C:6]([H:12])([H:15])[H:16])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H10O/c1-3-4-5(2)6/h5-6H,3H2,1-2H3/t5-/m1/s1",66.2193,63.89403000000001,
753,[C:1]([C@@:2]([O:3][H:11])([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4]1([H:12])=[C:5]([H:13])[C:6]1([H:15])[H:16].[H:11][H:14],"InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H4.C2H4O.H2/c1-2-3-1;1-2-3;/h1-2H,3H2;2H,1H3;1H",101.0984,68.01208000000001,
754,[C:1]([C@@:2]([O:3][H:11])([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4]1([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H6.C2H4O/c1-2-3-1;1-2-3/h1-3H2;2H,1H3",80.30346999999999,12.49661,
755,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:5][C@@:6]1(/[N:3]=[N:4]/[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-2-3(5-2)6-4/h3-4H,1H3/b6-4+/t3-/m1/s1",141.9474,54.66641,
756,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([c:2]1[n:3][n:4][n:5]([H:10])[c:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)",50.684020000000004,4.97208,
757,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C+:6][N:5]([H:11])[N:4]([H:10])[N-:3]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h4,6H,1H3",81.79191999999999,53.73816,
758,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([c:2]1[n:3]([H:10])[n:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)",51.28946,5.0970699999999995,
759,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C+:1]([C:2]1=[N:3][N:4]([H:10])[N-:5][C:6]1([H:7])[H:11])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h6H,1-2H2",106.72498999999999,49.80784,
760,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[N+:3][N-:4][H:10])([H:7])([H:8])[H:9].[N:5]#[C:6][H:11],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C2H4N2.CHN/c1-2-4-3;1-2/h3H,1H3;1H",82.2629,61.186319999999995,
761,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([N:3]=[C:2]=[C:6]([N:5]=[N:4][H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-5-2-3-6-4/h3-4H,1H3",103.62558,50.94722,
762,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]([H:7])[N:4]([H:10])[N:5]=[C:6]1[H:11])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2,5-6H,1H2",88.95538,38.62623,
763,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[N:3])([H:7])([H:8])[H:9].[N-:4]([N+:5]#[C:6][H:11])[H:10],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)",InChI=1S/C2H3N.CH2N2/c1-2-3;1-3-2/h1H3;1-2H,82.97631,56.6236,
764,[O:1]([C:2]([C:3]#[C:4][H:8])([H:6])[H:7])[H:5],[C+:2](=[C:3]=[C-:4][H:8])[H:6].[O:1]([H:5])[H:7],"InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2",InChI=1S/C3H2.H2O/c1-3-2;/h1-2H;1H2,75.19344,77.06825,
765,[O:1]([C:2]([C:3]#[C:4][H:8])([H:6])[H:7])[H:5],[O:1]([C:2]([C:4](=[C:3])[H:8])([H:6])[H:7])[H:5],"InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2","InChI=1S/C3H4O/c1-2-3-4/h2,4H,3H2",53.95802,47.82633,Singlet_Carbene_Intra_Disproportionation
766,[O:1]([C:2]([C:3]#[C:4][H:8])([H:6])[H:7])[H:5],[O:1]([C:2](=[C:3]=[C:4]([H:7])[H:8])[H:6])[H:5],"InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2","InChI=1S/C3H4O/c1-2-3-4/h3-4H,1H2",62.15225,-4.3502,
767,[C:1]([C:2]([C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4][C:5]([C:6]([H:14])([H:17])[H:18])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3-5H2,1-2H3",67.38837,63.021440000000005,
768,[C:1]([C:2]([C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:13])([H:7])([H:8])[H:9].[C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:12],"InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3","InChI=1S/C4H6.C2H6/c1-4-2-3-4;1-2/h1,4H,2-3H2;1-2H3",91.37380999999999,88.8485,
769,[C:1]([C:2]([C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:15])[H:16])([C:6]([H:11])([H:17])[H:18])[H:14],"InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3","InChI=1S/2C3H6/c2*1-3-2/h2*3H,1H2,2H3",90.50844000000001,14.37565,
770,[C:1]([C:2]([C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3](=[C:4]([C:5]([C:6]([H:7])([H:17])[H:18])([H:15])[H:16])[H:14])([H:12])[H:13],"InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3","InChI=1S/C4H8.C2H4/c1-3-4-2;1-2/h3H,1,4H2,2H3;1-2H2",87.8021,18.076320000000003,
771,[C:1]([C:2]([C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3](=[C:4]1[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13].[H:7][H:14],"InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3",InChI=1S/C4H6.C2H4.H2/c1-4-2-3-4;1-2;/h1-3H2;1-2H2;1H,104.54669,62.31416,
772,[C:1]([C:2]([C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[C:4](/[C:6](=[C:5]([H:15])[H:16])[H:17])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:18],"InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3","InChI=1S/C6H10.H2/c1-3-5-6-4-2;/h3,5-6H,1,4H2,2H3;1H/b6-5+;",109.8895,22.656,
773,[C:1]([C:2]([C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:5]([H:15])[H:16])[H:14])([H:12])[H:13])([H:10])[H:11])([C:6]([H:7])([H:17])[H:18])([H:8])[H:9],"InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",103.48639,-3.1981,
774,[C:1]([C:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([C:5]1([H:13])[H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(3-5)6-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-2-3-5-4-6-5/h5H,3-4H2,1H3/t5-/m0/s1",90.51567,49.5451,
775,[C:1]([C:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([C:5]1([H:13])[H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:5]([H:13])[H:14])[H:12])([H:10])[H:11])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(3-5)6-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3",38.37856,-46.43594,
776,[C:1]([C:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([C:5]1([H:13])[H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:5]([C:4][H:12])([H:13])[H:14])[C:3]([H:10])([H:11])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(3-5)6-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-3-5(2)4-6-5/h1H,3-4H2,2H3/t5-/m0/s1",91.61624,61.602880000000006,
777,[C:1]([C:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([C:5]1([H:13])[H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1([C:5]([H:12])([H:13])[H:14])[C:3]([H:10])([H:11])[C-:4]=[O+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(3-5)6-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-5(2)3-4-6-5/h3H2,1-2H3",64.85762,9.7397,
778,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1](=[C:2](/[O:3][H:7])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])\[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1",45.88811,12.60178,ketoenol
779,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[C:4]1([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12].[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C2H5N.CHNO/c1-2-3-1;2-1-3/h3H,1-2H2;2H",85.36758,16.98402,
780,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1](/[C:2]([O:3][H:10])=[C:4]([C:5](=[N:6]/[H:12])/[H:11])\[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-2-1-3(5)6/h1-2,4,6H,5H2/b3-1-,4-2+",75.99396999999999,2.15698,
781,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1](/[C:2]([O:3][H:9])=[C:4]1/[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h5-6H,1,4H2/b3-2+",65.08032,38.69539,ketoenol
782,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2](=[O+:3][N-:6][H:12])[C:4](=[C:5]([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c1-2-3(4)6-5/h2,5H,1,4H2",113.33383,81.68496,
783,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2]([O-:3])=[C:4]=[N+:6]([C:5]([H:9])([H:10])[H:11])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c1-5-2-3(4)6/h6H,4H2,1H3",70.3115,23.07798,
784,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C@@:2]1([O:3][H:12])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[N:6]12)([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-3(6)2-1-5(2)3/h2,6H,1,4H2/t2-,3+,5?/m1/s1",65.72199,43.49476,
785,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[C:2](=[O:3])=[C:4]1[C:5]([H:10])([H:11])[N:6]1[H:12].[N:1]([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H3NO.H3N/c5-2-3-1-4-3;/h4H,1H2;1H3",84.17831,55.2734,"1,3_NH3_elimination"
786,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2]([O-:3])=[C:4]1[C:5]([H:10])([H:11])[N+:6]1([H:9])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h5-6H,1,4H2",75.59554,47.42088,
787,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C+:2]([O:3][H:11])[C@@:4]1([H:9])[C-:5]([H:10])[N:6]1[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h1-2,5-6H,4H2/t2-/m1/s1",103.74934,78.80886,
788,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2]([O-:3])=[C:4]([N+:6](=[C:5]([H:10])[H:11])[H:12])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c1-5-2-3(4)6/h2,6H,1,4H2",48.58303,19.58929,
789,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2](=[O:3])[N+:6]1([H:12])[C-:4]([H:9])[C:5]1([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1,5H,2H2,(H2,4,6)",68.11232,50.39167,
790,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:4]([H:9])[C:5]([H:10])([H:11])[N:6]([H:12])[O:3]1)([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-3-1-2-5-6-3/h1,5H,2,4H2",82.19303000000001,41.92883,ketoenol
791,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2](=[O:3])/[C:4](=[N:6]/[C:5]([H:10])([H:11])[H:12])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c1-5-2-3(4)6/h2H,1H3,(H2,4,6)/b5-2+",63.5716,-11.091,
792,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:4]([N:6]=[C:5]([H:10])[H:11])([H:9])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c1-5-2-3(4)6/h1-2H2,(H2,4,6)",66.29117,-7.745010000000001,
793,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C-:5]([H:11])[N+:6]1([H:10])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h1-2H,5H2,(H2,4,6)/t2-/m1/s1",68.47131999999999,50.9826,
794,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C@@:2]1([H:10])[C:3]([H:8])=[N:4][C:5]([H:9])=[N:6]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-3,6H/t3-/m0/s1",50.83078,21.37205,
795,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2][N:6]([C:5](=[N+:4]=[C-:3][H:8])[H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c1-4-2-5-3-6/h1-2,5-6H",89.81485,89.813,
796,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]1=[N:6][C:5]([H:9])([H:10])[N:4]=[C:3]1[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1H,2H2,(H,5,6)",46.75441,9.98938,
797,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C@@:5]1([H:9])[N-:4][C:3]([H:8])=[C+:2][N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1,3,5-6H/t3-/m0/s1",126.34611000000001,53.4626,
798,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]1=[C:3]([H:8])[N:4]1/[C:5](=[N:6]/[H:10])[H:9])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c4-2-5-1-3(5)6/h1-2,4,6H/b4-2+",101.54295,88.28217,
799,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C@@:2]1([H:8])[C-:3]=[N+:4]=[C:5]([H:9])[N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2-3,5-6H/t3-/m0/s1",75.28971,69.74741,Singlet_Carbene_Intra_Disproportionation
800,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2][N:6]([C@:5]1([H:9])[C:3]([H:8])=[N:4]1)[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-2-5-3-1-4-3/h1,3,5-6H/t3-/m1/s1",126.05349,74.66541,
801,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]=[C:2]1[C:3]([H:8])=[N:4][C:5]([H:7])([H:9])[N:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1H,2H2,(H,5,6)",104.47633,-2.53537,
803,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[N:4]#[C:5][H:9].[O:1]([C:2]1=[C:3]([H:8])[N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C2H3NO.CHN/c4-2-1-3-2;1-2/h1,3-4H;1H",108.52246000000001,95.60441,
804,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[N:4](=[C:5]=[N:6][H:10])[H:9].[O:1]([C:2]#[C:3][H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C2H2O.CH2N2/c1-2-3;2-1-3/h1,3H;2-3H",127.10472,60.5222,
805,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]1=[C:3]([H:8])[N:4]([H:9])[C:5][N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1,4-6H",65.79606,29.10186,
806,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([c:2]1[c-:3][n:4]([H:8])[c+:5]([H:9])[n:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2,4-6H",80.78386,44.80712,
807,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]/[C:3](=[N:4]/[C:5](=[N:6]/[H:10])[H:9])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c4-3-5-1-2-6/h1,3-4,6H/b4-3+,5-1+",96.09036,79.54086,
808,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1](/[C:2]([C:3](=[N+:4]=[C-:5][H:9])[H:8])=[N:6]\[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c1-5-2-3(4)6/h1-2H,(H2,4,6)",58.49906,52.47685,
809,[C:1]([C:2]([O:3][C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4](=[O:5])=[N:6][H:12],"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C2H6O.CHNO/c1-2-3;2-1-3/h3H,2H2,1H3;2H",53.387240000000006,21.20766,"1,3_Insertion_ROR"
810,[C:1]([C:2]([O:3][C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[O:3]=[C:4]([O:5][H:8])[N:6]([H:12])[H:13],"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C2H4.CH3NO2/c1-2;2-1(3)4/h1-2H2;2H2,(H,3,4)",46.679159999999996,15.118520000000002,Retroene
811,[C:1]([C:2]([O:3][C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[O:3][C@@:4]1([O:5][H:8])[N:6]([H:12])[H:13],"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO2/c4-3(5)1-2-6-3/h5H,1-2,4H2/t3-/m1/s1",85.44273000000001,35.46294,
812,[C:1]([C:2]([O:3][C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[N:6]([H:8])([H:12])[H:13].[O:3]=[C:4]=[O:5],"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)",InChI=1S/C2H4.CO2.H3N/c1-2;2-1-3;/h1-2H2;;1H3,61.90793000000001,14.87,
813,[C:1]([C:2]([O:3][C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3]/[C:4]([O:5][H:13])=[N:6]\[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)",49.360929999999996,18.966479999999997,ketoenol
814,[C:1]([C:2]([O:3][C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:11])([H:7])([H:8])[H:9].[C:4](=[O:5])([N:6]([H:12])[H:13])[H:10],"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C2H4O.CH3NO/c1-2-3;2-1-3/h2H,1H3;1H,(H2,2,3)",87.96800999999999,21.907729999999997,
815,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C-:4]=[C:5]([H:13])[C+:6]1[H:14])([H:7])([H:8])[H:12],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-6-4-2-3-5-6/h2,4,6H,5H2,1H3/t6-/m1/s1",93.75435999999999,53.99524,
816,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2][C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C:6]1([H:9])[H:14],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2H,3-5H2",68.38235,59.91349,
817,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]([C:2](=[C:3]([H:10])[H:11])[H:9])(/[C:6](=[C:5](\[C:4][H:12])[H:13])[H:14])([H:7])[H:8],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-3-5-6-4-2/h1,3-5H,2,6H2/b5-3-",86.94696,83.21316,
818,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])=[C:6]1[H:14],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2",53.368159999999996,-10.865639999999999,
819,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4][C:5]([H:12])([H:13])[C@:6]12[H:14],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h5-6H,2-4H2/t5-,6+",68.00761999999999,67.8207,Singlet_Carbene_Intra_Disproportionation
820,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])=[C:4]([H:12])[C:5]([H:13])=[C:6]12.[H:11][H:14],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H6.H2/c1-2-5-4-6(5)3-1;/h1-3,5H,4H2;1H/t5-;/m1./s1",110.23846999999999,58.56159,
821,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]([C:2]1([H:9])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:10],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-6-4-2-3-5-6/h2-6H,1H3",70.82677,-9.7835,
822,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1](=[C:6]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:14])([H:7])[H:8].[C:4](#[C:5][H:13])[H:12],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C4H6.C2H2/c1-3-4-2;1-2/h3-4H,1-2H2;1-2H",112.6373,47.66182,
823,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])=[C:6]2[H:14],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-6-3-5(1)4-6/h1-2,5-6H,3-4H2/t5-,6+",66.98988,20.17493,
824,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]([C@@:6]1([H:14])[C:2][C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-6-4-2-3-5-6/h2,4,6H,3H2,1H3/t6-/m1/s1",67.45515,61.38742,
825,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:14])[C:5]([H:13])=[C:6]12,"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h2,6H,1,3-4H2/t6-/m1/s1",107.94348000000001,37.94137,
826,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C+:4]([H:12])[C:5]([H:13])=[C-:6]1)([H:7])([H:8])[H:14],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-6-4-2-3-5-6/h2-3,6H,4H2,1H3/t6-/m0/s1",64.13538,53.95393000000001,
827,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5][C@@:6]12[H:14],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h5-6H,1-2,4H2/t5-,6+/m1/s1",65.63107,62.86605,Singlet_Carbene_Intra_Disproportionation
828,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1](=[C:2](/[C:6](=[C:5](\[C:4](=[C:3]([H:10])[H:11])[H:12])[H:13])[H:14])[H:9])([H:7])[H:8],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2/b6-5-",67.69161,12.98911,
829,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:12])[C:6]1([C:5](=[C:4]=[C:3]([H:10])[H:11])[H:13])[H:14],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-3-6-4-5-6/h3,6H,1,4-5H2",140.14236,25.46999,
830,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]12([H:8])[C:2]3([H:9])[C:3]([H:11])=[C:4]([H:12])[C:5]1([H:13])[C:6]23[H:14].[H:7][H:10],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1",InChI=1S/C6H6.H2/c1-2-4-5-3(1)6(4)5;/h1-6H;1H,100.99436,55.61489,
831,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[N:4]#[C:5][H:9].[O:1]1/[C:2](=[N:6]\[H:10])[C:3]1([H:7])[H:8],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C2H3NO.CHN/c3-2-1-4-2;1-2/h3H,1H2;1H/b3-2-;",85.9334,60.05271,
832,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[O:1]=[C:2]1[C:3]([H:7])([H:8])[N+:4]([H:9])=[C-:5][N:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h4H,1H2,(H,5,6)",67.55726,22.49607,
833,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[O-:1][c:2]1[c:3]([H:7])[n+:4]([H:8])[c:5]([H:9])[n:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)",55.84661,16.76661,
834,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[H:8][H:9].[O-:1][C:2]1=[C:3]([H:7])[N:4]=[C:5]=[N+:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C3H2N2O.H2/c6-3-1-4-2-5-3;/h1,6H;1H",126.26326999999999,81.67090999999999,
835,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[O:1]=[C:2]([C:3]([N+:4]#[C-:5])([H:7])[H:8])[N:6]([H:9])[H:10],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C3H4N2O/c1-5-2-3(4)6/h2H2,(H2,4,6)",81.27399,17.07619,
836,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]1/[C:5](=[N:6]/[H:10])[H:9],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C3H4N2O/c4-2-5-1-3(5)6/h2,4H,1H2/b4-2+",67.82233000000001,49.884029999999996,
837,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[C:3](=[N:4]/[C:5](=[N:6]/[H:10])[H:9])([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C2H4N2.CO/c1-4-2-3;1-2/h2-3H,1H2;/b3-2+;",61.54081,34.933370000000004,
838,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[O:1]=[C:2](/[C:3](=[N:4]\[C:5](=[N:6]\[H:10])[H:9])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C3H4N2O/c4-3-5-1-2-6/h1-4H/b4-3+,5-1-",58.977109999999996,38.67225,
839,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)",73.43656999999999,8.588230000000001,ketoenol
840,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[O:1]([C:2]1=[N:6][C:5]([H:9])=[N:4][C:3]1([H:7])[H:8])[H:10],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)",52.62695,11.0342,ketoenol
841,[C:1]([C:2](=[N:3][O:4][H:9])[C:5]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8],[C:1]([C:2]([N:3]([O:4][H:9])[H:12])=[C:5]([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3","InChI=1S/C3H7NO/c1-3(2)4-5/h4-5H,1H2,2H3",65.33093000000001,16.68994,
842,[C:1]([C:2](=[N:3][O:4][H:9])[C:5]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8],[C:1]([C:2]([N:3]=[O:4])([C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3","InChI=1S/C3H7NO/c1-3(2)4-5/h3H,1-2H3",80.17201999999999,16.51823,ketoenol
843,[C:1]([C:2](=[N:3][O:4][H:9])[C:5]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8],[C:1]([C:2]([N:3])([O:4][H:9])[C:5]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3","InChI=1S/C3H7NO/c1-3(2,4)5/h5H,1-2H3",71.72968,63.489059999999995,
844,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4]([C:5]([C:6]([H:16])([H:17])[H:18])([H:8])[H:15])([H:13])[H:14])[H:12],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3",99.65892,2.42923,
845,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]1)([H:10])[H:11])([H:7])([H:8])[H:9].[C:6]([H:15])([H:16])([H:17])[H:18],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8.CH4/c1-2-5-3-4-5;/h5H,2-3H2,1H3;1H4/t5-;/m0./s1",99.11237,89.08848,
846,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:4]([C:5]([C:6]([H:16])([H:17])[H:18])([H:12])[H:15])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12/c1-3-5-6-4-2/h3-5H2,1-2H3",67.90312,65.06177,
847,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5][C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12/c1-4-6(3)5-2/h6H,4H2,1-3H3/t6-/m1/s1",69.54255,66.70243,
848,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[C:3]1([H:12])=[C:4]([H:14])[C:5]1([C:6]([H:16])([H:17])[H:18])[H:15].[H:8][H:13],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H6.C2H4.H2/c1-4-2-3-4;1-2;/h2-4H,1H3;1-2H2;1H",113.52528000000001,78.84534000000001,
849,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[C:3]1([H:12])=[C:5]([H:15])[C:4]1([H:13])[H:14].[C:6]([H:8])([H:16])([H:17])[H:18],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C3H4.C2H4.CH4/c1-2-3-1;1-2;/h1-2H,3H2;1-2H2;1H4",125.43133,68.41816999999999,
850,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[C:3](=[C:4]([H:13])[H:14])([C:5]([C:6]([H:16])([H:17])[H:18])([H:8])[H:15])[H:12],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H8.C2H4/c1-3-4-2;1-2/h3H,1,4H2,2H3;1-2H2",93.33769000000001,19.148329999999998,
851,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:5]([C:3]1([H:12])[C:2]([H:10])([H:11])[C:4]1([H:13])[H:14])([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3",132.66208,0.90585,
852,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[C:3]1([H:8])([H:12])[C:4]([H:13])([H:14])[C:5]1([C:6]([H:16])([H:17])[H:18])[H:15],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H8.C2H4/c1-4-2-3-4;1-2/h4H,2-3H2,1H3;1-2H2",114.469,23.792089999999998,
853,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([C:5][C:6]([H:16])([H:17])[H:18])([H:13])[H:14])([H:12])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12/c1-3-5-6-4-2/h3,5-6H2,1-2H3",68.22698000000001,65.56894,
854,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])[H:11],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8.CH4/c1-4-3-5(4)2;/h1,4-5H,3H2,2H3;1H4/t4-,5+;/m0./s1",91.2383,86.13246,
855,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:5]([C:4]([H:12])([H:13])[H:14])([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12/c1-4-5-6(2)3/h6H,4H2,1-3H3",69.99475,68.16190999999999,
856,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][n:5][c:6]1[H:9],[C:1](=[C:2]([N:3]=[N+:4]=[N-:5])[H:8])=[C:6]([H:7])[H:9],InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H,"InChI=1S/C3H3N3/c1-2-3-5-6-4/h3H,1H2",93.9046,31.283790000000003,
857,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][n:5][c:6]1[H:9],[C:1]12([H:7])[C:2]([H:8])=[N:3][N:4]1[N:5]=[C:6]2[H:9],InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H,InChI=1S/C3H3N3/c1-3-2-5-6(3)4-1/h1-3H,79.79103,57.758340000000004,
858,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][n:5][c:6]1[H:9],[C:1]1([H:7])=[C:2]([H:8])[N-:3][N+:4]2=[N:5][C@:6]12[H:9],InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H,InChI=1S/C3H3N3/c1-2-4-6-3(1)5-6/h1-3H/t3-/m0/s1,86.4158,77.33259,
859,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][n:5][c:6]1[H:9],[C:1](#[C:6][H:9])[H:7].[C:2](#[N:3])[H:8].[N:4]#[N:5],InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H,InChI=1S/C2H2.CHN.N2/c3*1-2/h1-2H;1H;,64.79838000000001,-12.21293,
860,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][n:5][c:6]1[H:9],[C@@:1]1([C:6](=[N+:5]=[N-:4])[H:9])([H:7])[C:2]([H:8])=[N:3]1,InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H,InChI=1S/C3H3N3/c4-6-2-3-1-5-3/h1-3H/t3-/m0/s1,68.16882,36.62888,
861,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][n:5][c:6]1[H:9],[C:1]([C:2](=[N+:3]=[N-:4])[H:8])([C:6]#[N:5])([H:7])[H:9],InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H,"InChI=1S/C3H3N3/c4-2-1-3-6-5/h3H,1H2",75.25339,-3.2829900000000003,
862,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][n:5][c:6]1[H:9],[C:1]1([H:7])=[C:2]([H:8])[C:6]1([N:5]=[N+:4]=[N-:3])[H:9],InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H,InChI=1S/C3H3N3/c4-6-5-3-1-2-3/h1-3H,81.46951,49.338570000000004,
863,[C:1]([C:2]1([C:5]#[C:6][H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]=[C:6]([H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6(2)4-5-6/h1H,4-5H2,2H3","InChI=1S/C6H8/c1-6-4-2-3-5-6/h2H,3,5H2,1H3",73.96479000000001,28.804040000000004,
864,[C:1]([C:2]1([C:5]#[C:6][H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C+:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[C-:6][H:14])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6(2)4-5-6/h1H,4-5H2,2H3","InChI=1S/C6H8/c1-5-3-4-6(5)2/h1H,3-4H2,2H3",66.07571999999999,53.36925,
865,[C:1]([C:2]1([C:5]#[C:6][H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:3]([C:4]([C-:2]=[C:5]=[C+:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6(2)4-5-6/h1H,4-5H2,2H3","InChI=1S/C6H8/c1-3-5-6-4-2/h1H,4,6H2,2H3",97.87361,57.55129,
866,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N:1]#[C:2][C@@:3]([C:4]([H:8])([H:9])[H:10])([O+:6]=[C-:5][H:11])[H:7],"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(3-5)6-2/h2,4H,1H3/t4-/m1/s1",87.43858,48.66185,
867,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N:1](=[C:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h5H,1-2H2",91.79329,27.3812,
868,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N:1](=[C:2]=[C:3]([C:4]([C:5](=[O:6])[H:10])([H:8])[H:9])[H:7])[H:11],"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1,4-5H,2H2",90.07264,-1.03785,
869,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N:1]1([H:11])[C:2][C@@:3]2([H:7])[C:4]([H:8])([H:9])[C@:5]1([H:10])[O:6]2,"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO/c1-3-2-5-4(1)6-3/h3-5H,1H2/t3-,4+/m1/s1",95.35655,56.60023,
870,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N:1](=[C:2]1/[C@@:3]2([H:7])[C@:4]1([H:8])[C:5]([H:10])([H:11])[O:6]2)\[H:9],"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO/c5-3-2-1-6-4(2)3/h2,4-5H,1H2/b5-3+/t2-,4-/m1/s1",108.17506000000002,42.06548,
871,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N:1]#[C:2][C:5]([C:4]([C:3](=[O:6])[H:7])([H:8])[H:9])([H:10])[H:11],"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2",95.46548,-24.49256,
872,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N+:1](#[C-:2])[C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO/c1-5-4-2-3-6-4/h4H,2-3H2/t4-/m1/s1",54.39241,17.62448,
873,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N:1]#[C:2][C@@:3]([C:4](=[C:5]([H:10])[H:11])[H:9])([O:6][H:8])[H:7],"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO/c1-2-4(6)3-5/h2,4,6H,1H2/t4-/m1/s1",91.75084,-6.79988,
874,[O:1]([C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],[H:8][H:13].[N:4]1=[C:5]([H:12])[C:6]1([H:14])[H:15].[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:7],"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2","InChI=1S/C2H3N.C2H4O.H2/c1-2-3-1;1-2-3;/h1H,2H2;2-3H,1H2;1H",92.81541999999999,49.598729999999996,
875,[O:1]([C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[N:4]([H:7])[C:6]([H:14])([H:15])[C:5]1([H:12])[H:13],"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2","InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2",76.03684,-12.55526,
876,[O:1]([C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C:3]([H:10])([H:11])[N:4]2[C:5]([H:12])([H:13])[C@@:6]12[H:15].[O:1]([H:7])[H:14],"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2","InChI=1S/C4H7N.H2O/c1-2-5-3-4(1)5;/h4H,1-3H2;1H2/t4-,5?;/m1./s1",104.54039,16.09394,
877,[O:1]([C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],[H:11][H:15].[O:1]([C:2]([C:3](=[N+:4]1[C:5]([H:12])([H:13])[C-:6]1[H:14])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2","InChI=1S/C4H7NO.H2/c6-4-3-5-1-2-5;/h1,3,6H,2,4H2;1H",85.47201,72.29301,
878,[O:1]([C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([N+:4]([C-:5]([H:12])[H:13])=[C:6]([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2","InChI=1S/C4H9NO/c1-5(2)3-4-6/h6H,1-4H2",49.81306,23.88315,
879,[O:1]([C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[N:4][C:5]([C:6]([H:7])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2","InChI=1S/C3H7N.CH2O/c1-3-4-2;1-2/h2-3H2,1H3;1H2",68.19798,2.2013700000000003,
880,[O:1]([C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])[H:9].[O:1]([H:7])[H:8],"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2","InChI=1S/C4H7N.H2O/c1-2-5-3-4-5;/h1H,2-4H2;1H2",81.04562,12.40623,
881,[O:1]([C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:5]([N:4]=[C:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2","InChI=1S/C4H9NO/c1-5-3-2-4-6/h6H,1-4H2",90.69975,-14.0258,
882,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[C:3](#[C:4][C:5]([H:9])([H:10])[H:11])[H:8].[N:1](=[C:2]=[O:6])[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C3H4.CHNO/c1-3-2;2-1-3/h1H,2H3;2H",100.76674,19.38803,
883,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2]=[C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:8])[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h1,4-5H,3H2/t4-/m0/s1",81.96593,42.24913,
884,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2]=[C:3]([C:4]([C:5](=[O:6])[H:10])([H:9])[H:11])[H:8])[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1,4-5H,2H2",59.00401,20.43667,
885,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2](\[O:6][C:5]([C:4](=[C:3])[H:9])([H:10])[H:11])[H:8])\[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c1-2-3-6-4-5/h2,4-5H,3H2/b5-4-",95.88525,91.48993,
886,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]1([H:7])[C@@:2]23[C@:3]1([H:8])[C@:4]2([H:9])[C:5]([H:10])([H:11])[O:6]3,"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c1-2-3-4(2,5-3)6-1/h2-3,5H,1H2/t2-,3-,4-/m0/s1",110.61471,100.00819,
887,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]#[C:2]/[C:3](=[C:4](\[C:5]([O:6][H:7])([H:10])[H:11])[H:9])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1-2,6H,4H2/b2-1-",69.25605,9.145430000000001,
888,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2]=[C:3]([C:4](=[C:5]([O:6][H:11])[H:10])[H:9])[H:8])[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1-2,4-6H",77.89827,25.89956,
889,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]1([H:7])/[C:2](=[C:3](/[C:4](=[C:5]([H:10])[H:11])[H:9])[H:8])[O:6]1,"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c1-2-3-4-5-6-4/h2-3,5H,1H2/b4-3-",92.3136,76.75305999999999,
890,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2](/[C:3](=[C:4])[H:8])[O:6][C:5]([H:9])([H:10])[H:11])\[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c1-3-4(5)6-2/h3,5H,2H3/b5-4-",89.67137,85.70366999999999,
891,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h5H,2-3H2/b5-4-",69.26068000000001,68.51445,Singlet_Carbene_Intra_Disproportionation
892,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]1([H:7])[C:2](=[O:6])[C@:3]1([C:4](=[C:5]([H:10])[H:11])[H:9])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c1-2-3-4(6)5-3/h2-3H,1H2,(H,5,6)/t3-/m1/s1",63.81485,31.889709999999997,
893,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[H:8][H:9].[N:1](=[C:2]1/[C:3]#[C:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H3NO.H2/c5-4-2-1-3-6-4;/h5H,3H2;1H/b5-4-;",123.15708000000001,120.05328999999999,
894,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]1([H:7])[C-:2]=[O+:6][C:5]([H:10])([H:11])[C:4]([H:9])=[C:3]1[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c1-2-5-4-6-3-1/h1-2,5H,3H2",100.8877,40.50046,
895,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2]1/[C:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h5H,1,3H2/b5-4-",75.98875,78.59591,Singlet_Carbene_Intra_Disproportionation
896,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([C:5]([H:9])([H:10])[H:11])[O:6]1)\[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c1-3-2-4(5)6-3/h2,5H,1H3/b5-4-",100.76519,22.617070000000002,
897,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]([C:2]1=[C:3]=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1H,3,5H2",71.39653,42.69916,
898,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:11])[o:6]1)([H:7])[H:10],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2",94.02288,-2.4614599999999998,
899,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[C:3](#[C:4][H:9])[H:8].[C:5](=[O:6])([H:10])[H:11].[N:1](=[C:2])[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-",InChI=1S/C2H2.CHN.CH2O/c3*1-2/h1-2H;2H;1H2,116.84511,82.92549,
900,[C:1]1([H:4])([H:5])[C:2]([H:6])([H:7])[O:3]1,[C-:1]([O+:3]=[C:2]([H:6])[H:7])([H:4])[H:5],InChI=1S/C2H4O/c1-2-3-1/h1-2H2,InChI=1S/C2H4O/c1-3-2/h1-2H2,68.09461,51.94222,
901,[C:1]1([H:4])([H:5])[C:2]([H:6])([H:7])[O:3]1,[C:1]([C:2][H:6])([O:3][H:7])([H:4])[H:5],InChI=1S/C2H4O/c1-2-3-1/h1-2H2,"InChI=1S/C2H4O/c1-2-3/h1,3H,2H2",72.75412,69.52168,
902,[C:1]1([H:4])([H:5])[C:2]([H:6])([H:7])[O:3]1,[C:1]([O+:3]=[C-:2][H:7])([H:4])([H:5])[H:6],InChI=1S/C2H4O/c1-2-3-1/h1-2H2,"InChI=1S/C2H4O/c1-3-2/h1H,2H3",77.278,45.89813,
903,[C:1]1([H:4])([H:5])[C:2]([H:6])([H:7])[O:3]1,[C:1]1([H:4])([H:5])[C-:2]=[O+:3]1.[H:6][H:7],InChI=1S/C2H4O/c1-2-3-1/h1-2H2,InChI=1S/C2H2O.H2/c1-2-3-1;/h1H2;1H,89.9041,63.51486,
904,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[N:3][N+:4]([H:9])([H:10])[C-:5]=[C:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1H,5H2,(H2,4,6)",81.70855999999999,64.59151,
905,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[N:3][N+:4]([H:9])=[C-:5][C:6]1([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h5H,1H2,(H2,4,6)",63.69839,43.8114,Singlet_Carbene_Intra_Disproportionation
906,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[N:3][C@@:6]1(/[C:5](=[N:4]/[H:9])[H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-1-2-3(5)6-2/h1-2,4H,(H2,5,6)/b4-1+/t2-/m1/s1",88.44244,35.35606,
907,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[C:5](#[C:6][H:11])[H:10].[N:1]([C:2]#[N+:3][N-:4][H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C2H2.CH3N3/c1-2;2-1-4-3/h1-2H;3H,2H2",114.08843,102.61934000000001,
908,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:6](=[C:2]=[N:3][N:4]([C:5][H:10])[H:9])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c1-5-6-3-2-4/h1-2,5H,4H2",141.53955,102.41717,
909,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1](=[c:2]1/[n:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])\[H:7],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)",63.4387,22.51983,
910,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2](/[N:3]=[N:4]/[H:9])=[C:6]=[C:5]([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c1-2-3(4)6-5/h5H,1,4H2/b6-5+",76.7984,64.56355,
911,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[N:3][N+:4]2([H:9])[C-:5]([H:10])[C@:6]12[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-2-1-6(2)5-3/h1-2,6H,(H2,4,5)/t2-/m1/s1",121.64169,111.53443,
912,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:6]([H:11])[C:5]([H:9])([H:10])[N:4]=[N:3]1)([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1H,2,4H2",48.49145,25.86846,
913,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1](=[C:2]1[N-:3][N:4]([H:9])[C+:5]([H:10])[C:6]1([H:7])[H:11])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h2,5H,1H2,(H-,4,6)",89.44169000000001,40.016009999999994,
914,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:6]=[C:5]([H:10])[N:4]([H:9])[N:3]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h2,5-6H,4H2",100.46954000000001,60.32597,
915,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([c:2]1[n:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)",46.42265,2.58976,
916,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:6]([H:11])[C@@:5]1([N:4]([N:3])[H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-2-1-3(2)6-5/h1,3,6H,4H2/t3-/m0/s1",126.77423,94.77996999999999,
917,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N+:1]1([H:7])([H:8])[C:2](=[C:6]([C:5](=[N:4][H:9])[H:10])[H:11])[N-:3]1,"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-2-1-3-5-6-3/h1-2,4H,5H2",85.45465,78.68925,
918,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:6]([H:11])[C@:5]2([H:10])[N:3]1[N:4]2[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-2-1-3-5-6(2)3/h1,3,5H,4H2/t3-,6?/m0/s1",98.90955,78.2625,
919,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C+:6][C:5]([H:10])([H:11])[N:4]([H:9])[N-:3]1)([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h5H,2,4H2",76.80481,77.85718,Singlet_Carbene_Intra_Disproportionation
920,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N+:1]([C:2]1=[C:6]=[C:5]([H:10])[N:4]([H:9])[N-:3]1)([H:7])([H:8])[H:11],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H4N3/c4-3-1-2-5-6-3/h2,5H,4H2/q-1/p+1",83.89063,76.2825,
921,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2](=[N:3][H:10])[C:6](=[C:5]=[N:4][H:9])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-2-1-3(5)6/h1,4H,(H3,5,6)",128.69558,14.21468,
922,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][n:6]1)([H:7])[H:8],[N:1]([c:2]1[n:3]([H:9])[n:4][n:5][n:6]1)([H:7])[H:8],"InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)","InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)",50.69573,2.91325,
923,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][n:6]1)([H:7])[H:8],[N:1](=[c:2]1[n-:3][n+:4]([H:9])[n:5][n:6]1[H:8])[H:7],"InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)","InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3-,2,3,4,5,6)",66.50862,28.37215,
924,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][n:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:6][N:3]1[N+:4](=[N-:5])[H:9])([H:7])[H:8],"InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)","InChI=1S/CH3N5/c2-1-4-6(1)5-3/h5H,(H2,2,4)",125.31213999999999,94.27597,
925,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][n:6]1)([H:7])[H:8],[N:1]([C:2]#[N:3])([H:7])[H:8].[N:4](=[N+:5]=[N-:6])[H:9],"InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)",InChI=1S/CH2N2.HN3/c2-1-3;1-3-2/h2H2;1H,66.31395,24.97162,
926,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][n:6]1)([H:7])[H:8],[N:1](=[c:2]1/[n:3]([H:7])[n:4]([H:9])[n:5][n:6]1)\[H:8],"InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)","InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)",74.36816999999999,31.1017,
927,[C:1]([C:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([C:5]1([H:13])[H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:6]([H:12])([H:15])[H:16])[C:3]([H:10])([H:11])[C:4][C:5]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-2-5(3-6)4-6/h5H,2-4H2,1H3","InChI=1S/C6H10/c1-6(2)4-3-5-6/h4-5H2,1-2H3",71.17008,54.16518000000001,
928,[C:1]([C:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([C:5]1([H:13])[H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:3]([C:2]12[C:4]([H:12])([C:5]1([H:13])[H:14])[C:6]2([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-2-5(3-6)4-6/h5H,2-4H2,1H3","InChI=1S/C6H10/c1-2-6-3-5(6)4-6/h5H,2-4H2,1H3",110.90413000000001,0.87121,
929,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]([C:6][H:12])([H:11])[O:5]1)[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h1,3-5H,2H2/t3-,4+/m0/s1",90.27439,63.641890000000004,
930,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]=[C:2]([C@@:6]([C:4](=[C:3]([H:9])[H:10])[H:11])([O:5][H:7])[H:12])[H:8],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h2-4,6H,1H2/t4-/m1/s1",50.06495,-22.64198,
931,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C-:4]=[O+:5][C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h4-5H,1,3H2/t4-/m0/s1",60.527840000000005,14.029060000000001,
932,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:5][C@@:6]1([C:4][H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h1,3-5H,2H2/t3-,4+/m1/s1",109.58346999999999,73.00615,
933,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]=[C:2]([C:3]([C@@:4]1([H:11])[O:5][C:6]1([H:7])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m1/s1",72.9443,-11.657,
934,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H4O2.H2/c5-2-1-3-4(2)6-3;/h3-4H,1H2;1H/t3-,4+;/m1./s1",87.96925,17.85913,
935,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C:2][C:3]([C@@:4]1([H:11])[O:5][C:6]1([H:8])[H:12])([H:9])[H:10])[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h4-5H,1,3H2/t4-/m1/s1",72.48728,40.047129999999996,
936,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4][C@:6]1([O:5][H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3-6H,1H2/t3-,4+/m0/s1",66.87616,62.979859999999995,
937,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]([C:3]([C:4][H:11])([H:9])[H:10])([C:6](=[O:5])[H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,3-4,6H,2H2/t4-/m0/s1",58.48888,50.400859999999994,
938,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]=[C:2]([C@@:6]1([H:12])[C@:4]([C:3]([H:7])([H:9])[H:10])([H:11])[O:5]1)[H:8],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1",74.37727,-15.01389,
939,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C:2][C@@:6]1([H:12])[C@:4]([C:3]([H:8])([H:9])[H:10])([H:11])[O:5]1)[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h3-5H,1H3/t3-,4+/m1/s1",64.57146999999999,32.826840000000004,
940,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O+:5]=[C-:6]1)[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h4-5H,1-2H2/t4-/m0/s1",63.87238000000001,14.491520000000001,
941,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[C:2]1([H:8])=[C:3]([H:9])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12].[O:1]([H:7])[H:10],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H4O.H2O/c1-2-4-3(1)5-4;/h1-4H;1H2/t3-,4+;",81.16745,33.59035,"1,3_Insertion_ROR"
942,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]1([C:6](=[O:5])[H:12])[H:11])[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4+/m1/s1",47.16943,-20.91055,
943,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])=[C:6]([H:8])[H:12])[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c1-4(6)2-3-5/h3,6H,1-2H2",63.47364,-31.1547,
944,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],[C@@:1]1([C:2]([H:6])([H:8])[H:9])([H:7])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8/c1-5-3-2-4-5/h2-3,5H,4H2,1H3/t5-/m1/s1",131.43272,22.46005,
945,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:4](=[C:3]([H:10])[H:11])[C:5]1([H:12])[H:13],"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2",InChI=1S/C5H8/c1-5-3-2-4-5/h1-4H2,94.41176999999999,19.34916,
946,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],[C:1]([C:2]([C:3](=[C:4])[H:10])([H:8])[H:9])([C:5]([H:11])([H:12])[H:13])([H:6])[H:7],"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8/c1-3-5-4-2/h4H,3,5H2,1H3",84.97819,74.55813,
947,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]=[C:5]1[H:13].[H:11][H:12],"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2","InChI=1S/C5H6.H2/c1-2-4-5-3-1;/h1,5H,2,4H2;1H",116.58349,95.23356,
948,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],[C:1]([C:5](/[C:4](=[C:3](\[C:2][H:9])[H:10])[H:11])([H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8/c1-3-5-4-2/h1,3,5H,4H2,2H3/b5-3-",89.69625,88.64393000000001,
949,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4][C:5]1([H:12])[H:13],"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2",InChI=1S/C5H8/c1-2-4-5-3-1/h1-4H2,67.39153,66.19875,Singlet_Carbene_Intra_Disproportionation
950,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],[C:1]1([H:6])([H:7])[C:4]([C:3](=[C:2]([H:8])[H:9])[H:10])([H:11])[C:5]1([H:12])[H:13],"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8/c1-2-5-3-4-5/h2,5H,1,3-4H2",86.80899000000001,21.76241,
951,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],[C:1]1([H:6])([H:7])[C:2]([H:9])=[C:3]([H:10])[C:4]([H:11])=[C:5]1[H:13].[H:8][H:12],"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2","InChI=1S/C5H6.H2/c1-2-4-5-3-1;/h1-4H,5H2;1H",60.96428,24.051660000000002,
952,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],[C:1](/[C:5](=[C:4](\[C:3](=[C:2]([H:8])[H:9])[H:10])[H:11])[H:12])([H:6])([H:7])[H:13],"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-",92.92435,14.596639999999999,
953,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],[C:1]([C:5]([C:4](=[C:3]=[C:2]([H:8])[H:9])[H:11])([H:12])[H:13])([H:6])([H:7])[H:10],"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3",132.37501,23.71003,
954,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C@@:5]([C:4]([H:13])([H:14])[H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3","InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3/t4-/m0/s1",73.36301999999999,15.726120000000002,
955,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:5]([O:6][C:4]([H:13])([H:14])[H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3","InChI=1S/C5H10O/c1-5(2)4-6-3/h4H,1-3H3",101.95576,18.96542,ketoenol
956,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:5](=[O:6])[H:16])([H:10])[H:12])=[C:4]([H:14])[H:15])([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3","InChI=1S/C5H8O.H2/c1-5(2)3-4-6;/h4H,1,3H2,2H3;1H",109.23271000000001,30.81885,
957,[O:1]=[C:2]1[C:3]([H:6])([H:7])[N:4]([H:8])[C:5]1([H:9])[H:10],[O:1]=[C:2]([C:3]([N:4]([C:5][H:10])[H:8])([H:6])[H:7])[H:9],"InChI=1S/C3H5NO/c5-3-1-4-2-3/h4H,1-2H2","InChI=1S/C3H5NO/c1-4-2-3-5/h1,3-4H,2H2",52.88779,37.09278,
958,[O:1]=[C:2]1[C:3]([H:6])([H:7])[N:4]([H:8])[C:5]1([H:9])[H:10],[O-:1][C:2]1=[C:3]([H:7])[N+:4]([H:6])([H:8])[C:5]1([H:9])[H:10],"InChI=1S/C3H5NO/c5-3-1-4-2-3/h4H,1-2H2","InChI=1S/C3H5NO/c5-3-1-4-2-3/h1,4-5H,2H2",61.26721,29.86253,
959,[O:1]=[C:2]1[C:3]([H:6])([H:7])[N:4]([H:8])[C:5]1([H:9])[H:10],[O:1]1[C-:2]2[C:3]([H:6])([H:7])[N+:4]1([H:8])[C:5]2([H:9])[H:10],"InChI=1S/C3H5NO/c5-3-1-4-2-3/h4H,1-2H2",InChI=1S/C3H4NO/c1-3-2-4(1)5-3/h1-2H2/q-1/p+1,147.60888,139.55755,
960,[O:1]=[C:2]1[C:3]([H:6])([H:7])[N:4]([H:8])[C:5]1([H:9])[H:10],[C-:3]([N:4]([C+:5]([H:9])[H:10])[H:8])([H:6])[H:7].[O+:1]#[C-:2],"InChI=1S/C3H5NO/c5-3-1-4-2-3/h4H,1-2H2","InChI=1S/C2H5N.CO/c1-3-2;1-2/h3H,1-2H2;",43.13205,31.86735,
961,[O:1]=[C:2]1[C:3]([H:6])([H:7])[N:4]([H:8])[C:5]1([H:9])[H:10],[H:9][H:10].[O-:1][C:2]1=[C+:5][N:4]([H:8])[C:3]1([H:6])[H:7],"InChI=1S/C3H5NO/c5-3-1-4-2-3/h4H,1-2H2","InChI=1S/C3H3NO.H2/c5-3-1-4-2-3;/h4H,1H2;1H",83.49497,63.168769999999995,
962,[O:1]=[C:2]1[C:3]([H:6])([H:7])[N:4]([H:8])[C:5]1([H:9])[H:10],[C:3](=[N:4][H:8])([H:6])[H:7].[O:1]=[C:2]=[C:5]([H:9])[H:10],"InChI=1S/C3H5NO/c5-3-1-4-2-3/h4H,1-2H2","InChI=1S/C2H2O.CH3N/c1-2-3;1-2/h1H2;2H,1H2",62.35997,9.94747,
963,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]=[O+:4][C:5]([H:11])=[C:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-3,5H,1H3/t5-/m1/s1",64.76068000000001,59.81678,Singlet_Carbene_Intra_Disproportionation
964,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3](=[O:4])[H:10])[C:5]([H:11])=[C:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5(4-6)2-3-5/h2-4H,1H3",89.22048000000001,48.65074,ketoenol
965,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[O+:4][C:5]([H:8])([H:11])[C-:6]1[H:12])([H:7])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2,4H,1,3H2",132.60811,71.97324,
966,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@:2]([C:3](=[O:4])[H:10])([C:6]#[C:5][H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m0/s1",87.79715999999999,35.136590000000005,
967,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[O+:4]=[C-:5][C:6]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-2-3-6-4-5/h4H,2H2,1H3",65.5871,56.21136,Singlet_Carbene_Intra_Disproportionation
968,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:8])([H:10])[O:4][C:5]([H:11])=[C:6]1[H:12])([H:7])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-3H,1,4H2",91.85704,16.677120000000002,
969,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[C:6]([C:5](=[O:4])[H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-2-3-4-5-6/h2,4-5H,1H3",89.86502,28.50706,
970,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:10])=[C:6]=[C:5]([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-3-5(2)4-6/h4H,1H2,2H3",68.75005999999999,28.579720000000002,
971,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:12])[C@:5]2([H:11])[C@@:3]1([H:10])[O:4]2)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-3-2-4-5(3)6-4/h2,4-5H,1H3/t4-,5+/m1/s1",106.26396000000001,63.401030000000006,Intra_2+2_cycloaddition_Cd
972,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[O:4])[H:10])([H:7])([H:8])[H:9].[C:5](#[C:6][H:12])[H:11],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C3H4O.C2H2/c1-2-3-4;1-2/h2H,1H3;1-2H",117.6216,54.4369,
973,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C@:6]1([C:5](=[O:4])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-4-2-5(4)3-6/h2-3,5H,1H3/t5-/m0/s1",86.88537,43.71244,ketoenol
974,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[O:6][C:5](=[C:4]([H:13])[H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-4-6-5(2)3/h4H,1H2,2-3H3",98.69046999999999,38.56644,ketoenol
975,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N+:2]([C:3]([H:10])([H:11])[H:12])([C:4](=[C:5]([O-:6])[H:15])[H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-5(2)3-4-6/h3-4,6H,1-2H3",63.7049,34.85582,
976,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[C:5]=[O:6])[H:13])([H:7])([H:8])[H:9].[H:14][H:15],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H7NO.H2/c1-5(2)3-4-6;/h3H,1-2H3;1H",77.64,30.213540000000002,
977,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]([H:10])[H:12])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:11])[H:15])([H:13])[H:14],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C2H5N.C2H4O/c1-3-2;1-2-3/h1H2,2H3;2-3H,1H2",60.27543000000001,17.65519,Retroene
978,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5][O:6][H:15])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-5(2)3-4-6/h6H,3H2,1-2H3",80.93664,51.83963,
979,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:12])[O:6][C:5]([H:11])([H:15])[C:4]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-5-2-3-6-4-5/h2-4H2,1H3",87.05398000000001,1.55764,
980,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N+:2]([C-:3]([H:10])[H:12])=[C:4]([H:13])[H:14])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:11])[H:15],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C3H7N.CH2O/c1-4(2)3;1-2/h1-2H2,3H3;1H2",61.791869999999996,56.536319999999996,
981,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:12])[C:5]([O:6][H:11])([H:15])[C:4]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3",87.25341,10.751,
982,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:4]([H:13])([H:14])[C@:5]1([O:6][C:3]([H:10])([H:11])[H:12])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-5-3-4(5)6-2/h4H,3H2,1-2H3/t4-,5?/m1/s1",93.27861999999999,22.50185,
983,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])/[C:4](=[C:5](/[O:6][H:14])[H:15])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-5(2)3-4-6/h3-4,6H,1-2H3/b4-3+",65.49184,7.9168199999999995,ketoenol
984,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C-:1]([N+:2](=[C:3]([H:10])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:8])[H:9].[H:7][H:11],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H7NO.H2/c1-5(2)3-4-6;/h4H,1-3H2;1H",71.4185,57.65855,
985,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](=[N+:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]([O-:6])([H:7])[H:15])([H:13])[H:14])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-5(2)3-4-6/h1,3-4H2,2H3",61.73396999999999,60.34316999999999,
986,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](=[N+:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[C:5]([O-:6])[H:15])[H:13])([H:8])[H:9].[H:7][H:14],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H7NO.H2/c1-5(2)3-4-6;/h3-4H,1H2,2H3;1H",63.46886,44.43137,
987,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[O:5][C:6]2([H:11])[H:12],[C:1]1([H:7])([H:8])[O:2][C:3]12[C-:4]([H:10])[O+:5]=[C:6]2[H:11].[H:9][H:12],InChI=1S/C4H6O2/c1-4(2-5-1)3-6-4/h1-3H2,"InChI=1S/C4H4O2.H2/c1-4(2-5-1)3-6-4;/h1-2H,3H2;1H",99.03364,91.89699,
988,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[O:5][C:6]2([H:11])[H:12],[C-:1]([O+:2]=[C:3]1[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])([H:7])[H:8],InChI=1S/C4H6O2/c1-4(2-5-1)3-6-4/h1-3H2,InChI=1S/C4H6O2/c1-5-4-2-6-3-4/h1-3H2,69.04661,55.09712,
989,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[O:5][C:6]2([H:11])[H:12],[C-:1](=[O+:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],InChI=1S/C4H6O2/c1-4(2-5-1)3-6-4/h1-3H2,"InChI=1S/C4H6O2/c1-5-4-2-6-3-4/h1,4H,2-3H2",79.26208000000001,43.76719,
990,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[O:5][C:6]2([H:11])[H:12],[C:1]([C:3]1([O:2][H:7])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:8],InChI=1S/C4H6O2/c1-4(2-5-1)3-6-4/h1-3H2,"InChI=1S/C4H6O2/c1-4(5)2-6-3-4/h1,5H,2-3H2",71.67118,66.77708,
991,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[O:5][C:6]2([H:11])[H:12],[C+:1](=[C:3]([O-:2])[C:4]([O:5][C:6]([H:7])([H:11])[H:12])([H:9])[H:10])[H:8],InChI=1S/C4H6O2/c1-4(2-5-1)3-6-4/h1-3H2,"InChI=1S/C4H6O2/c1-4(5)3-6-2/h1H,3H2,2H3",108.68261000000001,49.39452,
992,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[O:5][C:6]2([H:11])[H:12],[C:1]1([H:7])([H:8])[O:2][C@:3]1([C:4]([O:5][H:11])([H:9])[H:10])[C:6][H:12],InChI=1S/C4H6O2/c1-4(2-5-1)3-6-4/h1-3H2,"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h1,5H,2-3H2/t4-/m0/s1",76.72705,72.19503,
993,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[O:5][C:6]2([H:11])[H:12],[C:1]1([H:7])([H:8])[O+:2]=[C-:3][C:4]1([H:9])[H:10].[O:5]=[C:6]([H:11])[H:12],InChI=1S/C4H6O2/c1-4(2-5-1)3-6-4/h1-3H2,InChI=1S/C3H4O.CH2O/c1-2-4-3-1;1-2/h1-2H2;1H2,77.27844,44.95693,
994,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[O:5][C:6]2([H:11])[H:12],[C:1](=[O:2])([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],InChI=1S/C4H6O2/c1-4(2-5-1)3-6-4/h1-3H2,"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2",63.18094,-19.78552,
995,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[O:5][C:6]2([H:11])[H:12],[C:1]1([H:7])([H:8])[O:2][C@@:3]12[C:4]([H:9])([H:10])[O+:5]=[C-:6]2.[H:11][H:12],InChI=1S/C4H6O2/c1-4(2-5-1)3-6-4/h1-3H2,"InChI=1S/C4H4O2.H2/c1-4(2-5-1)3-6-4;/h1,3H2;1H/t4-;/m1./s1",87.57768,69.80105,
996,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2][C:4]([C:3]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3/t5-/m0/s1","InChI=1S/C6H12/c1-5-6(2,3)4/h1-4H3",69.12747,66.39121,
997,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:5]([H:13])([H:14])[H:15])([H:11])[H:12])([C:4][C:6]([H:16])([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3/t5-/m0/s1","InChI=1S/C6H12/c1-4-6(3)5-2/h6H,4H2,1-3H3/t6-/m0/s1",101.12162,67.85956,
998,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3/t5-/m0/s1","InChI=1S/C6H12/c1-4-5-6(2)3/h6H,5H2,1-3H3",69.06156,67.54072,
999,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:5]([H:13])[H:15])[C:6]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])[H:10])([H:7])([H:9])[H:14],"InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3/t5-/m0/s1","InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3",93.58888,-4.863919999999999,
1000,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([C:4](=[C:5]([H:13])[H:15])[C:6]([H:16])([H:17])[H:18])([H:11])[H:12])[H:10])([H:7])[H:9].[H:8][H:14],"InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3/t5-/m0/s1","InChI=1S/C6H10.H2/c1-4-5-6(2)3;/h4H,1-2,5H2,3H3;1H",71.0458,26.714190000000002,
1001,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([O:4][C:3]([N:6]([C:5][H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C3H7NO2/c1-4-2-6-3-5/h1,4-5H,2-3H2",142.4045,50.36609,
1002,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([N:6]([C:5](=[O:4])[H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)",53.864,-13.01342,ketoenol
1003,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:10])([H:11])[O:4][C@:5]1([N:6]([H:7])[H:13])[H:12])[H:9],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C3H7NO2/c4-3-2(5)1-6-3/h2-3,5H,1,4H2/t2-,3+/m0/s1",102.2237,16.03884,
1004,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]/[H:13].[O:1]([H:7])[H:12],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C3H5NO.H2O/c4-3-1-2-5-3;/h4H,1-2H2;1H2/b4-3+;",98.40798000000001,10.318539999999999,
1005,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([O:4][C:5]([N:6]([H:7])[H:13])([H:8])[H:12])([H:10])[H:11])[H:9],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C3H7NO2/c4-3-6-2-1-5/h1H,2-4H2",49.70237,9.56161,
1006,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([N:6]([H:7])[H:13])[H:12],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C3H7NO2/c4-3-5-1-2-6-3/h3H,1-2,4H2",43.5821,1.22213,
1007,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]1([H:10])[H:11].[O:4]=[C:5]([N:6]([H:7])[H:13])[H:12],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C2H4O.CH3NO/c1-2-3-1;2-1-3/h1-2H2;1H,(H2,2,3)",61.14023,15.93762,
1008,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([O+:4]=[C-:5][N:6]([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C3H7NO2/c4-3-6-2-1-5/h5H,1-2,4H2",80.8769,34.844809999999995,
1009,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([H:9])([H:10])[H:11])[H:8].[O:4]=[C:5]([N:6]([H:7])[H:13])[H:12],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C2H4O.CH3NO/c1-2-3;2-1-3/h2H,1H3;1H,(H2,2,3)",42.15193,-10.650789999999999,
1010,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:5](#[N:6])[H:12].[H:11][H:13].[O:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C2H4O2.CHN.H2/c3-1-2-4;1-2;/h1,4H,2H2;1H;1H",71.23244,31.150540000000003,
1011,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[H:8][H:13].[O:1]=[C:2]([C:3]([O:4]/[C:5](=[N:6]\[H:7])[H:12])([H:10])[H:11])[H:9],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C3H5NO2.H2/c4-3-6-2-1-5;/h1,3-4H,2H2;1H/b4-3-;",83.72556,25.88876,
1012,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[O:4])([H:10])[H:11].[C:5](#[N:6])[H:12].[O:1]([C:2]([H:8])([H:9])[H:13])[H:7],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/CHN.CH4O.CH2O/c3*1-2/h1H;2H,1H3;1H2",91.2524,33.42475,
1013,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[N:1](=[C:2]=[C:3]1[C:4]([H:7])([H:8])[O:5]1)[H:6],"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1","InChI=1S/C3H3NO/c4-1-3-2-5-3/h4H,2H2",106.07231000000002,37.26017,
1014,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[N:1](=[C-:2][C@@:3]1([H:6])[C:4]([H:8])=[O+:5]1)[H:7],"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1",InChI=1S/C3H3NO/c4-1-3-2-5-3/h2-4H/t3-/m0/s1,142.63257,88.64978,
1015,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[N:1]#[C:2][C:4]([C:3](=[O:5])[H:6])([H:7])[H:8],"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1","InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2",76.27629,-24.40541,
1016,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[N+:1](#[C-:2])[C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1","InChI=1S/C3H3NO/c1-4-3-2-5-3/h3H,2H2/t3-/m1/s1",56.50363,19.346220000000002,
1017,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[N:1]#[C:2][C@@:3]([C:4][H:7])([O:5][H:8])[H:6],"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1","InChI=1S/C3H3NO/c1-3(5)2-4/h1,3,5H/t3-/m1/s1",74.29252,70.61487,
1018,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[C-:3]1=[O+:5][C:4]1([H:7])[H:8].[N:1]#[C:2][H:6],"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1",InChI=1S/C2H2O.CHN/c1-2-3-1;1-2/h1H2;1H,89.80468,59.7902,
1019,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[N-:1]=[C:2]=[C:3]([O+:5]=[C:4]([H:7])[H:8])[H:6],"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1","InChI=1S/C3H3NO/c1-5-3-2-4/h3H,1H2",60.11085,43.40854,
1020,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[N-:1]=[C:2]=[C+:3][C:4]([O:5][H:6])([H:7])[H:8],"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1","InChI=1S/C3H3NO/c4-2-1-3-5/h5H,3H2",68.18414,60.023740000000004,
1021,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]2[C@:6]13[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[N:5]2[C:4]([H:11])([H:12])[C:3][C@@:6]12[H:13],"InChI=1S/C5H7N/c1-4-3-2-6(4)5(1)3/h3-5H,1-2H2/t3-,4-,5+","InChI=1S/C5H7N/c1-3-6-4-2-5(1)6/h5H,1,3-4H2/t5-/m1/s1",70.07653,42.206309999999995,
1022,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]2[C@:6]13[H:13],[C:1](=[C:6]([C@:3]1([H:10])[C:2]([H:9])=[N:5][C:4]1([H:11])[H:12])[H:13])([H:7])[H:8],"InChI=1S/C5H7N/c1-4-3-2-6(4)5(1)3/h3-5H,1-2H2/t3-,4-,5+","InChI=1S/C5H7N/c1-2-5-3-6-4-5/h2-3,5H,1,4H2/t5-/m1/s1",58.256080000000004,-42.34154,
1023,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]2[C@:6]13[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[N+:5]23[C-:3]([C:4]2([H:11])[H:12])[C@@:6]13[H:13],"InChI=1S/C5H7N/c1-4-3-2-6(4)5(1)3/h3-5H,1-2H2/t3-,4-,5+","InChI=1S/C5H7N/c1-2-6-3-5(6)4(1)6/h4H,1-3H2/t4-,6?/m1/s1",70.09916,40.10685,
1024,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]2[C@:6]13[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]([C:6][H:13])([H:10])[C:4]([H:11])([H:12])[N:5]12,"InChI=1S/C5H7N/c1-4-3-2-6(4)5(1)3/h3-5H,1-2H2/t3-,4-,5+","InChI=1S/C5H7N/c1-4-2-6-3-5(4)6/h1,4-5H,2-3H2/t4-,5-,6?/m0/s1",120.74436999999999,49.387879999999996,
1025,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]2[C@:6]13[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]([H:10])([C:4]([H:11])([H:12])[N:5]2[H:13])[C:6]1,"InChI=1S/C5H7N/c1-4-3-2-6(4)5(1)3/h3-5H,1-2H2/t3-,4-,5+","InChI=1S/C5H7N/c1-2-5-4(1)3-6-5/h4-6H,2-3H2/t4-,5-/m0/s1",64.85576,35.27361,
1026,[O:1]([C:2]1([C:5](=[O:6])[H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:2]1([O+:6]=[C-:5][H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],"InChI=1S/C4H6O2/c5-3-4(6)1-2-4/h3,6H,1-2H2","InChI=1S/C4H6O2/c1-6-4(5)2-3-4/h1,5H,2-3H2",120.76791000000001,66.21627,
1027,[O:1]([C:2]1([C:5](=[O:6])[H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([O:6][C:5](=[C:2]1[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-4(6)1-2-4/h3,6H,1-2H2","InChI=1S/C4H6O2/c5-6-3-4-1-2-4/h3,5H,1-2H2",130.51501000000002,80.61832,ketoenol
1028,[O:1]([C:2]1([C:5](=[O:6])[H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[H:11][H:12].[O:1]([C@:2]1([C:5]#[O+:6])[C:3]([H:8])([H:9])[C-:4]1[H:10])[H:7],"InChI=1S/C4H6O2/c5-3-4(6)1-2-4/h3,6H,1-2H2","InChI=1S/C4H4O2.H2/c5-3-4(6)1-2-4;/h1,6H,2H2;1H/t4-;/m0./s1",124.28251000000002,86.32588,
1029,[O:1]([C:2]1([C:5](=[O:6])[H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:2]([C:5]1([H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])=[O:6])[H:7],"InChI=1S/C4H6O2/c5-3-4(6)1-2-4/h3,6H,1-2H2","InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)",98.58418,-22.9909,
1030,[O:1]([C:2]1([C:5](=[O:6])[H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:2]1=[C:5]([H:12])[O:6][C:4]([H:10])([H:11])[C:3]1([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-3-4(6)1-2-4/h3,6H,1-2H2","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h3,5H,1-2H2",59.51615,1.31085,ketoenol
1031,[O:1]([C:2]1([C:5](=[O:6])[H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[C-:5]#[O+:6].[H:8][H:12].[O:1]([C:2]1=[C:3]([H:9])[C:4]1([H:10])[H:11])[H:7],"InChI=1S/C4H6O2/c5-3-4(6)1-2-4/h3,6H,1-2H2","InChI=1S/C3H4O.CO.H2/c4-3-1-2-3;1-2;/h1,4H,2H2;;1H",95.15071999999999,55.45632,
1032,[C:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:6])[H:7].[C:3]1([H:11])=[C:4]([H:12])[C:5]1([H:14])[H:15].[H:8][H:13],"InChI=1S/C5H10/c1-2-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C3H4.C2H4.H2/c1-2-3-1;1-2;/h1-2H,3H2;1-2H2;1H",112.88917,80.47811,
1033,[C:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3][C:5]([C:4]([H:11])([H:12])[H:13])([H:14])[H:15])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C5H10/c1-2-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10/c1-3-5-4-2/h3-4H2,1-2H3",67.52241,64.11134,
1034,[c:1]1([H:7])[n:2][n:3][n:4][c:5]([H:8])[n:6]1,[C:1]1([H:7])=[N:6][C:5]2([H:8])[n:3]3[n:2]1[n:4]32,InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H,InChI=1S/C2H2N4/c1-3-2-5-4(1)6(2)5/h1-2H,95.11907,69.91806,
1035,[c:1]1([H:7])[n:2][n:3][n:4][c:5]([H:8])[n:6]1,[c:1]1([H:7])[n:2][n:3]2[n:4][c:5]([H:8])[n:6]12,InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H,InChI=1S/C2H2N4/c1-3-6-4-2-5(1)6/h1-2H,87.64125,70.5728,
1036,[c:1]1([H:7])[n:2][n:3][n:4][c:5]([H:8])[n:6]1,[C:1]1([H:7])=[N:6][C@@:5]1([N:4]=[N+:3]=[N-:2])[H:8],InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H,InChI=1S/C2H2N4/c3-6-5-2-1-4-2/h1-2H/t2-/m1/s1,77.09846999999999,37.10065,
1037,[c:1]1([H:7])[n:2][n:3][n:4][c:5]([H:8])[n:6]1,[C:1](#[N+:2][N-:3][N:4]=[C:5]=[N:6][H:8])[H:7],InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H,"InChI=1S/C2H2N4/c1-4-6-5-2-3/h1,3H",122.38842,54.870569999999994,
1038,[c:1]1([H:7])[n:2][n:3][n:4][c:5]([H:8])[n:6]1,[C@:1]12([H:7])[N:2]3[N:3]=[N:4][C@@:5]1([H:8])[N:6]23,InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H,"InChI=1S/C2H2N4/c3-1-2-5(1)6(2)4-3/h1-2H/t1-,2-,5?,6?/m0/s1",79.24070999999999,68.25556999999999,
1039,[c:1]1([H:7])[n:2][n:3][n:4][c:5]([H:8])[n:6]1,[C:1](=[N:2][N:3]=[N-:4])([N+:6]#[C:5][H:8])[H:7],InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H,InChI=1S/C2H2N4/c1-4-2-5-6-3/h1-2H,61.6544,46.29844,
1040,[c:1]1([H:7])[n:2][n:3][n:4][c:5]([H:8])[n:6]1,[C:1]1([H:7])=[N:6][C@:5]2([H:8])[N:2]1[N:3]=[N:4]2,InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H,InChI=1S/C2H2N4/c1-3-2-4-5-6(1)2/h1-2H/t2-/m0/s1,78.31765,53.4776,
1041,[c:1]1([H:7])[n:2][n:3][n:4][c:5]([H:8])[n:6]1,[C:1](#[N:2])[H:7].[C:5](#[N:6])[H:8].[N:3]#[N:4],InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H,InChI=1S/2CHN.N2/c3*1-2/h2*1H;,41.86976,-47.82966,
1042,[c:1]1([H:7])[n:2][n:3][n:4][c:5]([H:8])[n:6]1,[C:1](=[N:2][H:7])=[N:6][C:5](=[N+:4]=[N-:3])[H:8],InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H,InChI=1S/C2H2N4/c3-1-5-2-6-4/h2-3H,84.71025999999999,4.92184,
1043,[c:1]1([H:7])[n:2][n:3][n:4][c:5]([H:8])[n:6]1,[C:1]1=[N+:2]([H:7])[N-:3][N:4]=[C:5]([H:8])[N:6]=1,InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H,"InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1,5H",84.70534,40.46212,
1044,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O+:3][C:4](=[C:5]([O-:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-2-6-4-3-5/h2-4H,1H3",47.47948,39.966390000000004,
1045,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[O+:3][C@:4]1([C-:5]([O:6][H:10])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2,4-5H,1H3/t4-/m0/s1",108.89992,71.90838000000001,
1046,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C+:4]=[C:5]([O-:6])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-4(6)2-3-5/h3-4,6H,1H3/t4-/m1/s1",68.64994,58.53658000000001,
1047,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:4]([O:3][H:10])([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h3-4,6H,1H3/t4-/m1/s1",72.76475,58.02253,
1048,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3",65.51156,-25.57691,
1049,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([O:3][C@:4]([C:2][H:10])([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-4(3-5)6-2/h1,3-4H,2H3/t4-/m1/s1",116.69061,85.59533,
1050,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3]/[C:4]1=[C:5](/[O:6][H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-3,5H,1H3/b4-2+/t3-/m1/s1",70.76944,17.71385,ketoenol
1051,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:3]=[C:4]=[C:5]([O-:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-2-6-4-3-5/h3H,2H2,1H3",75.54355,44.66527,
1052,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([N+:6]([C:4](=[C:2]([O:3][H:11])[H:10])[O-:5])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H7NO2/c1-4-3(6)2-5/h2,4-6H,1H3",119.1972,55.526880000000006,
1053,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:11])[H:10])([H:7])[H:8].[C:4]([O:5][H:9])[N:6]([H:12])[H:13],"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1","InChI=1S/C2H4O.CH3NO/c1-2-3;2-1-3/h2-3H,1H2;3H,2H2",74.86073,63.89366,
1054,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:11])([H:10])[H:12])([H:7])([H:8])[H:9].[C:4](=[O:5])=[N:6][H:13],"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1","InChI=1S/C2H6O.CHNO/c1-2-3;2-1-3/h3H,2H2,1H3;2H",88.80304,15.52639,
1055,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([O:5]/[C:4](=[C:2](/[O:3][H:11])[H:10])[N:6]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H7NO2/c1-6-3(4)2-5/h2,5H,4H2,1H3/b3-2+",104.10477,38.33092,ketoenol
1056,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:11])=[C:4](\[O:5][H:10])[N:6]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H7NO2/c1-2(5)3(4)6/h5-6H,4H2,1H3/b3-2+",68.7651,25.96387,ketoenol
1057,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([O+:5]=[C-:4][N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H7NO2/c1-3(5)6-2-4/h3,5H,4H2,1H3/t3-/m0/s1",94.31725,41.89761,
1058,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:11])=[C:4]([O-:5])[N+:6]([H:10])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H7NO2/c1-2(5)3(4)6/h5-6H,4H2,1H3",81.11157,47.648309999999995,
1059,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:12])[H:13])([H:7])([H:8])[H:10].[H:9][H:11],"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H5NO2.H2/c1-2(5)3(4)6;/h1H3,(H2,4,6);1H",96.31515999999999,15.37021,
1060,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[N:6][C:5]([H:11])([H:12])[C:4]([H:10])=[C:3]1[H:9])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-2H,3H2,(H2,5,6)",42.64544,4.694319999999999,
1061,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C+:2]1[C:3]([H:9])([H:10])[C-:4]=[C:5]([H:11])[N:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h3,6H,2,5H2",79.64546,68.56022,
1062,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2](=[C:3]=[C:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-3-1-2-4-6/h1,3-5H,6H2/b5-3+",71.69565,45.98452,
1063,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C@@:2]12[C:3]([H:9])=[C:4]([H:10])[C@:5]1([H:11])[N:6]2[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3(4)6-4/h1-3,6H,5H2/t3-,4+/m0/s1",89.46676,71.96175,Intra_2+2_cycloaddition_Cd
1064,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2]/[C:3](=[C:4]([C:5](=[N:6]/[H:12])\[H:11])/[H:10])[H:9])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-3-1-2-4-6/h1-3,5H,6H2/b2-1-,5-3-",70.53325,63.72683000000001,
1065,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[C:4]([H:10])([H:11])[C:5][N:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h2,6H,1,5H2",57.94916,49.484390000000005,Singlet_Carbene_Intra_Disproportionation
1066,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1](=[C:2]1\[C:3]([H:9])=[C:4]([H:10])[C:5]([H:7])([H:11])[N:6]1[H:12])\[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-2H,3H2,(H2,5,6)",95.97959,7.55933,
1067,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1](=[C:2]1[C:3]([H:9])=[C:4]([H:10])[C-:5]([H:11])[N+:6]1([H:7])[H:12])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,5H,6H2",75.57489,49.59915,
1068,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([N+:6]1([H:12])[C-:2]=[C:3]([H:9])[C:4]([H:10])=[C:5]1[H:11])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-6-3-1-2-4-6/h1-3,6H,5H2",130.41843,103.29613,
1069,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1](=[C:2]1\[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[N:6]1[H:12])\[H:7],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1,3H,2H2,(H2,5,6)",79.42251999999999,6.87102,
1070,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C-:3][C:4]([H:9])([H:10])[C+:5]([H:11])[N:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h3,6H,1,5H2",79.46978,76.76057,
1071,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2][N:6]([C:5]1([H:11])[C:3]([H:9])=[C:4]1[H:10])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-3-6-4-1-2-4/h1-2,4,6H,5H2",133.47814,84.30469000000001,
1072,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2](=[C:3])[N:6]([C:5](=[C:4]([H:9])[H:10])[H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c1-3-6-4(2)5/h3,6H,1,5H2",101.96433,102.7807,
1073,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1](/[C:3](=[C:2]1/[C:4]([H:10])=[C:5]([H:11])[N:6]1[H:12])[H:9])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h1-3,6H,5H2/b4-3-",160.50348,50.304629999999996,
1074,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C@@:2]1([H:12])[C:3]([H:9])=[C:4]([H:10])[C:5]([H:11])=[N:6]1)([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-4H,5H2/t4-/m1/s1",48.147090000000006,18.5826,
1075,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C+:2]1[C:3]([H:9])=[C-:4][C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h2,6H,3,5H2",66.89402,53.77021,Singlet_Carbene_Intra_Disproportionation
1076,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2]([C:3](=[C:4]=[C:5]([H:10])[H:11])[H:9])=[N:6][H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c1-2-3-4(5)6/h3H,1H2,(H3,5,6)",95.22962,32.814840000000004,
1077,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N+:1]([C:2]1=[C:3]=[C:4]([H:10])[C-:5]([H:11])[N:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H5N2/c5-4-2-1-3-6-4/h1,3,6H,5H2/q-1/p+1",89.29611,87.06956,
1078,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N+:1]([c-:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])([H:8])[H:12],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3H,5H3",50.9862,38.96728,
1079,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C@:2]1([H:9])[C-:3]=[C:4]([H:10])[C+:5]([H:11])[N:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1,3-4,6H,5H2/t4-/m0/s1",71.7307,69.6723,Singlet_Carbene_Intra_Disproportionation
1080,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[H:7][H:12].[N:1](=[C:2]1\[C:3]([H:9])=[C:4]([H:10])[C:5]([H:11])=[N:6]1)\[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H4N2.H2/c5-4-2-1-3-6-4;/h1-3,5H;1H/b5-4+;",105.66278999999999,42.09202,
1081,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[C:4]([H:10])=[C-:5][N+:6]1([H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-2H,5-6H2",88.57127,79.45676999999999,
1082,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[H:9][H:10].[N:1]([C:2](=[O:3])[N:4]=[C:5]=[O:6])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/C2H2N2O2.H2/c3-2(6)4-1-5;/h(H2,3,6);1H",80.72805,17.4785,
1083,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[C-:5]#[O+:6].[N:1]([C+:2]([O:3][H:10])[N-:4][H:9])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/CH4N2O.CO/c2-1(3)4;1-2/h2,4H,3H2;",44.057109999999994,22.28856,
1084,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[N:1](/[C:2]([O:3][H:9])=[N:4]/[C:5](=[O:6])[H:10])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)",28.4462,5.03901,ketoenol
1085,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[N:1](=[C:2](/[O:3][H:8])[N:4]([C:5](=[O:6])[H:10])[H:9])\[H:7],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)",45.49535,14.52847,ketoenol
1086,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[N:1]([C:2](=[O:3])[O:6]/[C:5](=[N:4]/[H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h1,3H,(H2,4,5)/b3-1+",49.38839,14.65789,ketoenol
1087,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[N:1]([C:2](=[O:3])[N+:4](=[C-:5][O:6][H:10])[H:9])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h4-5H,(H2,3,6)",77.38389000000001,42.23792,
1088,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[N:1]([C:2]([O:3][C:5](=[O:6])[H:10])=[N:4][H:9])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N2O2/c3-2(4)6-1-5/h1H,(H3,3,4)",43.80369,20.50669,ketoenol
1089,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[N:1]([C:2](=[O:3])/[N:4]=[C:5](/[O:6][H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)",42.02918,8.316889999999999,ketoenol
1090,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[C:2](=[O:3])=[N:4][H:9].[N:1]([C:5](=[O:6])[H:10])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/CH3NO.CHNO/c2*2-1-3/h1H,(H2,2,3);2H",52.717530000000004,13.347560000000001,
1091,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[N:1](=[C:2]=[O:3])[H:7].[N:4](=[C:5](\[O:6][H:8])[H:10])\[H:9],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/CH3NO.CHNO/c2*2-1-3/h1H,(H2,2,3);2H",57.51921,27.83987,Retroene
1092,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]=[C:4]([H:11])[N:5]([H:10])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h3,5H,1H3",105.10883000000001,61.73796,
1093,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([O+:6]=[C:2]=[C:3]([C:4](=[N-:5])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-6-4-2-3-5/h2-3H,1H3",117.58008999999998,85.42003000000001,
1094,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[C:4](#[N+:5][O-:6])[H:11],"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3","InChI=1S/C3H4.CHNO/c1-3-2;1-2-3/h1H,2H3;1H",97.63096,76.30008000000001,
1095,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([N:5]=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-2-3-4-5-6/h2,4H,1H3",77.71603,59.58885,
1096,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])/[C:4](=[N:5]\[H:11])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-3-2-4(5)6-3/h2,5H,1H3/b5-4+",56.59048000000001,9.095080000000001,
1097,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])=[N:5]1)=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-3(6)4-2-5-4/h2,4H,1H3/t4-/m1/s1",66.39383000000001,17.24754,ketoenol
1098,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]=[N:5][H:11])[H:10])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(6)2-3-5/h2,5H,1H3",56.57938000000001,-6.8219,
1099,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[C:4]([H:11])[N:5]([H:7])[O:6]1)([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3,5H,1H2",104.06286999999999,31.4794,
1100,[C:1]([O:2][C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3","InChI=1S/C3H6O.C2H4/c1-3-4-2;1-2/h3H,1H2,2H3;1-2H2",88.39558000000001,15.72117,
1101,[C:1]([O:2][C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:6]([C:5]([C:4][H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h1H,3-5H2,2H3",100.19583,77.04594,
1102,[C:1]([O:2][C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:8])[H:9].[H:7][H:11],"InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3","InChI=1S/C5H8O.H2/c1-6-4-5-2-3-5;/h4-5H,1-3H2;1H",82.31521,82.16114,
1103,[C:1]([O:2][C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:8])[H:9].[C:3](=[C:4]([C:5]([C:6]([H:7])([H:15])[H:16])([H:13])[H:14])[H:12])([H:10])[H:11],"InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3H,1,4H2,2H3;1H2",79.75392,1.25727,
1104,[C:1]([O:2][C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:6]([C:5]([C:4](=[C:3]([H:10])[H:11])[H:12])([H:13])[H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h3H,1,4-5H2,2H3",82.10408000000001,-4.36188,
1105,[C:1]([O:2][C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4][C:5]([C:6]([H:12])([H:15])[H:16])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h3,5H2,1-2H3",67.87832,64.6056,
1107,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1]([N:3]=[C:2]=[O:4])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:11],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-",InChI=1S/C2H3NO.CH2O/c1-3-2-4;1-2/h1H3;1H2,88.09297,18.33413,
1108,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C:5](=[O:6])[H:11])[H:10])=[O:4])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)",21.4633,-10.80697,ketoenol
1109,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]([H:9])[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2H,1,4H2",65.21451,9.25097,
1110,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[N:3])([H:7])([H:8])[H:9].[O:4]=[C:5]([O:6][H:10])[H:11],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C2H3N.CH2O2/c1-2-3;2-1-3/h1H3;1H,(H,2,3)",19.98282,-2.15972,Retroene
1111,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]([H:10])[O:6][C:5]([H:9])([H:11])[O:4]1)([H:7])[H:8],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C3H5NO2/c1-3-4-6-2-5-3/h4H,1-2H2",113.18919,60.5295,
1112,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C:5](=[O:6])[H:11])([H:7])([H:8])[H:9].[C:2](=[N:3][H:10])=[O:4],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2H,1H3;2H",83.04938,1.11148,
1113,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2](=[O:4])[N:3]1[H:10].[C:5](=[O:6])([H:9])[H:11],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C2H3NO.CH2O/c4-2-1-3-2;1-2/h1H2,(H,3,4);1H2",92.66150999999999,54.14464,
1114,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[N:3][H:10])([H:7])[H:8].[O:4]=[C:5]([O:6][H:9])[H:11],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C2H3N.CH2O2/c1-2-3;2-1-3/h3H,1H2;1H,(H,2,3)",39.71584,22.73961,Retroene
1115,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[H:10])[O+:4]=[C-:5][O:6][H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C3H5NO2/c1-3(4)6-2-5/h4-5H,1H3/b4-3-",76.92594,42.92934,
1116,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1]([N:3]([C-:2]=[O+:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C3H5NO2/c1-4-2-6-3-5/h3-4H,1H3",91.10216,37.61825,
1117,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]12[N:3]([H:10])[O:6][C@@:5]1([H:11])[O:4]2)([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C3H5NO2/c1-3-2(5-3)6-4-3/h2,4H,1H3/t2-,3-/m1/s1",119.70132,83.56994,
1118,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[H:7][H:8].[O:1]=[C:2]=[C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H4O2.H2/c5-2-1-4-3-6-4;/h1,4H,3H2;1H/t4-;/m0./s1",77.1418,26.56685,
1119,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:4]([C:5]([H:7])([H:11])[H:12])(=[O:6])[H:10].[O:1]=[C:2]=[C:3]([H:8])[H:9],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C2H4O.C2H2O/c2*1-2-3/h2H,1H3;1H2",68.6838,-7.478330000000001,
1120,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[H:8][H:10].[O:1]=[C:2](/[C:3](=[C:4]1\[C:5]([H:11])([H:12])[O:6]1)[H:9])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H4O2.H2/c5-2-1-4-3-6-4;/h1-2H,3H2;1H/b4-1+;",101.48768000000001,30.477909999999998,
1121,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:5]([C:4](=[O:6])[H:10])([H:11])[H:12],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-2-6-4-3-5/h2-3H,1,4H2",53.98113000000001,-3.2876,
1122,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4][C:5]([O:6][H:10])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h3,6H,1,4H2",72.25152,68.06606,
1123,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:5](=[O:6])([H:11])[H:12].[O:1]=[C:2]([C:4](=[C:3]([H:8])[H:9])[H:10])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h2-3H,1H2;1H2",78.24746999999999,5.58595,
1124,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C-:4]=[O+:6][C:5]([H:10])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-6-4-2-3-5/h3H,2H2,1H3",75.09971999999999,39.504690000000004,
1125,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:5](=[O:6])([H:11])[H:12].[O:1]1[C@@:2]2([H:7])[C:3]([H:8])([H:9])[C@@:4]12[H:10],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C3H4O.CH2O/c1-2-3(1)4-2;1-2/h2-3H,1H2;1H2/t2-,3+;",92.32536999999999,60.88926,
1126,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C@@:4]([C:5][H:11])([O:6][H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-4(6)2-3-5/h1,3-4,6H,2H2/t4-/m1/s1",71.62451,68.59463000000001,
1127,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4]([O+:6]=[C-:5][H:11])([H:10])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-6-4-2-3-5/h1,3H,2,4H2",77.43070999999999,47.49048,
1128,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](\[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9])[H:7])[H:8],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h1-2,4-5H,3H2/b2-1-/t4-/m0/s1",69.44072,7.83471,ketoenol
1129,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:3](=[C:4]1[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9].[O:1]=[C:2]([H:7])[H:10],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1",InChI=1S/C3H4O.CH2O/c1-3-2-4-3;1-2/h1-2H2;1H2,80.0817,33.67259,
1130,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O+:1](=[C-:2][H:7])[C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-5-2-4-3-6-4/h1,4H,2-3H2/t4-/m0/s1",114.7756,66.66991,
1131,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h4-5H,1,3H2/t4-/m0/s1",80.85153000000001,52.2382,
1132,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:8])[H:9])[O:6][H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)",103.31352,-35.900420000000004,
1133,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:4]1([H:8])([H:10])[C:5]([H:11])([H:12])[O:6]1.[O:1]=[C:2]=[C:3]([H:7])[H:9],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1",InChI=1S/C2H4O.C2H2O/c1-2-3-1;1-2-3/h1-2H2;1H2,93.95299,19.079629999999998,
1134,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4](=[O+:6][C-:5]([H:11])[H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-6-4-2-3-5/h3-4H,1-2H2",66.23224,53.46848000000001,
1135,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C-:4]1=[O+:6][C:5]1([H:11])[H:12].[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[H:10],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C2H2O.C2H4O/c1-2-3-1;1-2-3/h1H2;2-3H,1H2",73.6931,65.82717,
1136,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]=[C:2](/[C:3](=[C:4](/[C:5]([O:6][H:8])([H:11])[H:12])[H:10])[H:9])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1-3,6H,4H2/b2-1+",53.157109999999996,-10.00263,
1137,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1,"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-2-5-4-3-6-4/h2,4H,1,3H2/t4-/m1/s1",93.8879,14.791179999999999,ketoenol
1138,[C:1]([C:2]#[C:3][C:4]#[C:5][C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]12[C:3]3=[C:4]1[C:5]23[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H3,"InChI=1S/C6H6/c1-5-3-4(5)6(3,5)2/h1-2H3",91.74384,71.88386,
1139,[C:1]([C:2]#[C:3][C:4]#[C:5][C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]=[C:5]=[C:6]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H3,"InChI=1S/C6H6/c1-3-5-6-4-2/h4H,1H2,2H3",83.8372,13.37115,Intra_ene_reaction
1140,[C:1]([C:2]#[C:3][C:4]#[C:5][C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:5](=[C+:4][C:3]#[C-:2])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H3,InChI=1S/C6H6/c1-4-5-6(2)3/h2-3H3,145.1531,55.07229,
1141,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[H:12])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3][N:5]([C:4]([H:9])([H:10])[H:11])[H:12])([H:7])[H:8])[H:6],"InChI=1S/C3H7NO/c5-2-3-1-4-3/h3-5H,1-2H2/t3-/m1/s1","InChI=1S/C3H7NO/c1-4-2-3-5/h4-5H,3H2,1H3",67.304,29.9896,
1142,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[H:12])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3]([N:5]=[C:4]([H:10])[H:11])([H:9])[H:12])([H:7])[H:8])[H:6],"InChI=1S/C3H7NO/c5-2-3-1-4-3/h3-5H,1-2H2/t3-/m1/s1","InChI=1S/C3H7NO/c1-4-2-3-5/h5H,1-3H2",67.3035,-8.01436,
1143,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[H:12])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3]([N:5]([C:4][H:10])[H:12])([H:9])[H:11])([H:7])[H:8])[H:6],"InChI=1S/C3H7NO/c5-2-3-1-4-3/h3-5H,1-2H2/t3-/m1/s1","InChI=1S/C3H7NO/c1-4-2-3-5/h1,4-5H,2-3H2",72.01164,30.7744,
1144,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[H:12])([H:7])[H:8])[H:6],[H:6][H:7].[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[H:12])[H:8],"InChI=1S/C3H7NO/c5-2-3-1-4-3/h3-5H,1-2H2/t3-/m1/s1","InChI=1S/C3H5NO.H2/c5-2-3-1-4-3;/h2-4H,1H2;1H/t3-;/m1./s1",89.99403000000001,21.921889999999998,
1145,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[H:12])([H:7])[H:8])[H:6],[O:1]([C:2](/[C:3](=[N:5]/[C:4]([H:10])([H:11])[H:12])[H:9])([H:7])[H:8])[H:6],"InChI=1S/C3H7NO/c5-2-3-1-4-3/h3-5H,1-2H2/t3-/m1/s1","InChI=1S/C3H7NO/c1-4-2-3-5/h2,5H,3H2,1H3/b4-2+",61.9465,-13.06296,
1146,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[H:12])([H:7])[H:8])[H:6],[O:1]([C:2]([C+:3]([N:5]([C-:4]([H:10])[H:11])[H:12])[H:9])([H:7])[H:8])[H:6],"InChI=1S/C3H7NO/c5-2-3-1-4-3/h3-5H,1-2H2/t3-/m1/s1","InChI=1S/C3H7NO/c1-4-2-3-5/h2,4-5H,1,3H2",53.503980000000006,28.79973,
1147,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4](=[O:5])[H:13])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]([O:5][H:9])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3","InChI=1S/C4H8O/c1-4(2)3-5/h3,5H,1-2H3",71.06419,6.823980000000001,ketoenol
1148,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4](=[O:5])[H:13])[H:9])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:8])[C@@:2]([C:3]([H:10])([H:11])[H:12])([H:9])[C@@:4]1([O:5][H:7])[H:13],"InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3","InChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4+/m0/s1",88.49389000000001,18.90095,
1149,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4](=[O:5])[H:13])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:4]1([H:13])[C@:2]([C:3]([H:10])([H:11])[H:12])([H:9])[O:5]1)([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3","InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+",82.24098000000001,18.81065,
1150,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4](=[O:5])[H:13])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([O+:5]=[C-:4][H:13])([H:10])[H:12])([H:9])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3","InChI=1S/C4H8O/c1-3-4-5-2/h2H,3-4H2,1H3",117.18695,65.96384,
1151,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4](=[O:5])[H:13])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:9])([H:13])[O:5]1)([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3","InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3",75.40290999999999,17.77231,
1152,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4](=[O:5])[H:13])[H:9])([H:6])([H:7])[H:8],[C-:4]#[O+:5].[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([H:9])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3","InChI=1S/C3H8.CO/c1-3-2;1-2/h3H2,1-2H3;",85.0405,-1.311,"1,2_Insertion_CO"
1153,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4](=[O:5])[H:13])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:4](=[O+:5][C-:3]([H:10])[H:12])[H:13])([H:9])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3","InChI=1S/C4H8O/c1-3-4-5-2/h4H,2-3H2,1H3",107.19493999999999,73.60956,
1154,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4](=[O:5])[H:13])[H:9])([H:6])([H:7])[H:8],[C:1]([O:5]/[C:4](=[C:2](/[C:3]([H:10])([H:11])[H:12])[H:9])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3","InChI=1S/C4H8O/c1-3-4-5-2/h3-4H,1-2H3/b4-3+",98.24347,18.67067,ketoenol
1155,[C:1]([C:2]([C:3]([O:4][H:12])([H:10])[H:11])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2]([C:3](=[O:4])[H:10])([H:9])[H:11])([H:5])([H:6])[H:7].[H:8][H:12],"InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3","InChI=1S/C3H6O.H2/c1-2-3-4;/h3H,2H2,1H3;1H",94.00059,16.89159,
1156,[C:1]([C:2]([C:3]([O:4][H:12])([H:10])[H:11])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7].[C:3]([O:4][H:12])[H:11],"InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",InChI=1S/C2H6.CH2O/c2*1-2/h1-2H3;1-2H,83.81905,67.74476,
1157,[C:1]([C:2]([C:3]([O:4][H:12])([H:10])[H:11])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1](=[C:2]([C:3]([O:4][H:12])([H:10])[H:11])[H:9])([H:5])[H:7].[H:6][H:8],"InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3","InChI=1S/C3H6O.H2/c1-2-3-4;/h2,4H,1,3H2;1H",115.36521,32.30958,
1158,[C:1]([C:2]([C:3]([O:4][H:12])([H:10])[H:11])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2](=[C:3]([H:10])[H:11])[H:9])([H:5])([H:6])[H:7].[O:4]([H:8])[H:12],"InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3","InChI=1S/C3H6.H2O/c1-3-2;/h3H,1H2,2H3;1H2",67.85995,9.60699,"1,3_Insertion_ROR"
1159,[C:1]([C:2]([C:3]([O:4][H:12])([H:10])[H:11])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2]([O:4][H:12])([H:8])[H:9])([H:5])([H:6])[H:7].[C:3]([H:10])[H:11],"InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3","InChI=1S/C2H6O.CH2/c1-2-3;/h3H,2H2,1H3;1H2",125.93441999999999,111.1958,"1,2_Insertion_carbene"
1160,[C:1]([O:2][C:3]([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([H:10])[H:11])([H:7])[H:9].[C:4](=[O:5])([C:6]([H:12])([H:13])[H:14])[H:8],"InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3","InChI=1S/2C2H4O/c1-3-2;1-2-3/h1-2H2;2H,1H3",83.32136,79.89407,
1161,[C:1]([O:2][C:3]([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]1([H:11])[C@@:4]([C:6]([H:12])([H:13])[H:14])([H:10])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3","InChI=1S/C4H8O2/c1-3-4(5-2)6-3/h3-4H,1-2H3/t3-,4+/m0/s1",71.44675,18.853720000000003,
1162,[C:1]([O:2][C:3]([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([O:5][H:12])=[C:6]([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3","InChI=1S/C4H8O2/c1-4(5)3-6-2/h5H,1,3H2,2H3",64.93890999999999,10.98082,ketoenol
1163,[C:1]([O:2][C:3]([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:7])[H:9].[C:3](=[C:4]([O:5][H:8])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11],"InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3","InChI=1S/C3H6O.CH2O/c1-3(2)4;1-2/h4H,1H2,2H3;1H2",61.605430000000005,14.33654,Retroene
1164,[C:1]([O:2][C:3]([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:4](/[O:5][H:10])[C:6]([H:12])([H:13])[H:14])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3","InChI=1S/C4H8O2/c1-4(5)3-6-2/h3,5H,1-2H3/b4-3+",64.29333000000001,10.011510000000001,ketoenol
1165,[C:1]([O:2][C:3]([C:4]([O:5][C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:13])([H:7])([H:8])[H:9].[C:3](=[C:4]([O:5][C:6]([H:14])([H:15])[H:16])[H:12])([H:10])[H:11],"InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3","InChI=1S/C3H6O.CH4O/c1-3-4-2;1-2/h3H,1H2,2H3;2H,1H3",69.68325,10.65633,"1,3_Insertion_ROR"
1166,[C:1]([O:2][C:3]([C:4]([O:5][C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([H:10])[H:11])([H:7])[H:9].[C:4]([O:5][C:6]([H:14])([H:15])[H:16])([H:8])([H:12])[H:13],"InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3",InChI=1S/C2H6O.C2H4O/c2*1-3-2/h1-2H3;1-2H2,96.00441,76.87718000000001,
1167,[C:1]([O:2][C:3]([C:4]([O:5][C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4](=[O+:5][C-:6]([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:16],"InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3","InChI=1S/C4H8O2.H2/c1-5-3-4-6-2;/h3H,1,4H2,2H3;1H",84.87602,81.65307,
1168,[N:1]([C:2](=[O:3])[C:4](=[O:5])[H:8])([H:6])[H:7],[C-:4]#[O+:5].[N:1]([C:2][O:3][H:8])([H:6])[H:7],"InChI=1S/C2H3NO2/c3-2(5)1-4/h1H,(H2,3,5)","InChI=1S/CH3NO.CO/c2-1-3;1-2/h3H,2H2;",57.01854,37.740809999999996,
1169,[N:1]([C:2](=[O:3])[C:4](=[O:5])[H:8])([H:6])[H:7],[N:1](=[C:2](/[O:3][H:6])[C:4](=[O:5])[H:8])\[H:7],"InChI=1S/C2H3NO2/c3-2(5)1-4/h1H,(H2,3,5)","InChI=1S/C2H3NO2/c3-2(5)1-4/h1H,(H2,3,5)",48.92671,12.70251,ketoenol
1170,[N:1]([C:2](=[O:3])[C:4](=[O:5])[H:8])([H:6])[H:7],[N:1]([C:2](=[O:3])[O+:5]=[C-:4][H:8])([H:6])[H:7],"InChI=1S/C2H3NO2/c3-2(5)1-4/h1H,(H2,3,5)","InChI=1S/C2H3NO2/c1-5-2(3)4/h1H,(H2,3,4)",79.68895,54.84267,
1171,[N:1]([C:2](=[O:3])[C:4](=[O:5])[H:8])([H:6])[H:7],[N:1]([C:2]([O-:3])=[C:4]=[O+:5][H:8])([H:6])[H:7],"InChI=1S/C2H3NO2/c3-2(5)1-4/h1H,(H2,3,5)","InChI=1S/C2H3NO2/c3-2(5)1-4/h5H,3H2",85.54288000000001,51.87754,
1172,[N:1]([C:2](=[O:3])[C:4](=[O:5])[H:8])([H:6])[H:7],[N:1]([C-:2]=[O+:3][C:4](=[O:5])[H:8])([H:6])[H:7],"InChI=1S/C2H3NO2/c3-2(5)1-4/h1H,(H2,3,5)","InChI=1S/C2H3NO2/c3-1-5-2-4/h2H,3H2",54.2891,33.745459999999994,
1173,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C@@:4]1([H:14])[O:5][C:6]1([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3","InChI=1S/C4H8O2/c1-2-5-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1",112.3554,45.27568,
1174,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C-:4]=[O+:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3","InChI=1S/C4H8O2/c1-3-6-4-5-2/h3H2,1-2H3",109.12268,61.089,
1175,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[O:5])([C:6]([H:12])([H:13])[H:14])[H:11],"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3","InChI=1S/2C2H4O/c2*1-2-3/h2*2H,1H3",74.27945,27.313470000000002,
1176,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([O:5][H:14])=[C:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3","InChI=1S/C4H8O2/c1-3-6-4(2)5/h5H,2-3H2,1H3",70.29804,28.08823,ketoenol
1177,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4](=[O:5])=[C:6]([H:12])[H:13],"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3","InChI=1S/C2H6O.C2H2O/c2*1-2-3/h3H,2H2,1H3;1H2",73.52161,36.985659999999996,"1,3_Insertion_ROR"
1178,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[O:3]=[C:4]([O:5][H:7])[C:6]([H:12])([H:13])[H:14],"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3","InChI=1S/C2H4O2.C2H4/c1-2(3)4;1-2/h1H3,(H,3,4);1-2H2",49.00476,15.59119,Retroene
1179,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2](=[O+:3][C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10].[C:1]([H:7])([H:8])([H:9])[H:11],"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3","InChI=1S/C3H4O2.CH4/c1-3(4)5-2;/h2H,1H3;1H4",91.16763,77.39788,
1180,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:16].[C:2]1([O:3][H:10])=[C:6]([H:15])[C:5]([H:13])([H:14])[C:4]1([H:11])[H:12],"InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3","InChI=1S/C4H6O.CH4/c5-4-2-1-3-4;/h2,5H,1,3H2;1H4",109.75231000000001,19.619970000000002,
1181,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:10])[C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])[H:9].[H:8][H:11],"InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3","InChI=1S/C5H8O.H2/c1-4(6)5-2-3-5;/h5-6H,1-3H2;1H",114.193,29.876929999999998,
1182,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([H:10])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3",69.02790999999999,-16.724120000000003,
1183,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])([H:7])([H:8])[H:9].[C:6]([H:15])[H:16],"InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3","InChI=1S/C4H8O.CH2/c1-4(5)2-3-4;/h5H,2-3H2,1H3;1H2",116.97155,115.96316000000002,
1184,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:16])[C:5]([H:13])([H:14])[C:4]1([H:11])[H:12])([H:7])([H:8])[H:9].[O:3]([H:10])[H:15],"InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3","InChI=1S/C5H8.H2O/c1-5-3-2-4-5;/h3H,2,4H2,1H3;1H2",68.44032,16.16069,"1,3_Insertion_ROR"
1185,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2][O:3][H:10])([H:7])([H:8])[H:9].[C:4]1([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3","InChI=1S/C3H6.C2H4O/c1-2-3-1;1-2-3/h1-3H2;3H,1H3",108.46417,71.40865,
1186,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2](=[O:3])[C:6]([H:15])([H:16])[C:5]([H:13])([H:14])[C:4]1([H:11])[H:12].[H:9][H:10],"InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3",InChI=1S/C5H8O.H2/c6-5-3-1-2-4-5;/h1-4H2;1H,98.69261999999999,-2.57642,
1187,[O:1]([C:2]12[C:3]([H:8])([H:9])[N:4]([C:5]1([H:10])[H:11])[C:6]2([H:12])[H:13])[H:7],[O:1]([C:2][C:5]([N+:4]([C-:3]([H:8])[H:9])=[C:6]([H:12])[H:13])([H:10])[H:11])[H:7],"InChI=1S/C4H7NO/c6-4-1-5(2-4)3-4/h6H,1-3H2","InChI=1S/C4H7NO/c1-5(2)3-4-6/h6H,1-3H2",54.27887,47.94209,
1188,[O:1]([C:2]12[C:3]([H:8])([H:9])[N:4]([C:5]1([H:10])[H:11])[C:6]2([H:12])[H:13])[H:7],[O:1]([C:2]12[C:3]([H:8])([H:9])[N+:4]([H:12])([C:5]1([H:10])[H:11])[C-:6]2[H:13])[H:7],"InChI=1S/C4H7NO/c6-4-1-5(2-4)3-4/h6H,1-3H2","InChI=1S/C4H7NO/c6-4-1-5(2-4)3-4/h1,5-6H,2-3H2",75.95684,57.25572,
1189,[O:1]([C:2]12[C:3]([H:8])([H:9])[N:4]([C:5]1([H:10])[H:11])[C:6]2([H:12])[H:13])[H:7],[O:1]([C:2]1([C:3][H:9])[C:5]([H:10])([H:11])[N:4]([H:8])[C:6]1([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-4-1-5(2-4)3-4/h6H,1-3H2","InChI=1S/C4H7NO/c1-4(6)2-5-3-4/h1,5-6H,2-3H2",75.97447,52.21849,
1190,[O:1]([C:2]12[C:3]([H:8])([H:9])[N:4]([C:5]1([H:10])[H:11])[C:6]2([H:12])[H:13])[H:7],[O:1]([C:2][C:6]([N:4]1[C:3]([H:8])([H:9])[C:5]1([H:10])[H:11])([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-4-1-5(2-4)3-4/h6H,1-3H2","InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h6H,1-3H2",110.63918999999999,28.416729999999998,
1191,[O:1]([C:2]12[C:3]([H:8])([H:9])[N:4]([C:5]1([H:10])[H:11])[C:6]2([H:12])[H:13])[H:7],[O:1]([C:3]([C:2]12[N:4]([C:5]1([H:10])[H:11])[C:6]2([H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-4-1-5(2-4)3-4/h6H,1-3H2","InChI=1S/C4H7NO/c6-3-4-1-5(4)2-4/h6H,1-3H2",75.17992,-8.86069,
1192,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:13])=[N+:4]1[C:5]([H:10])([H:11])[C-:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2,6H,3H2,1H3",63.1531,59.882740000000005,
1193,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([N:4]=[C:2]=[O:3])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3",InChI=1S/C2H3NO.C2H4/c1-3-2-4;1-2/h1H3;1-2H2,66.87598,-0.73575,
1194,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:4][C:6]([H:12])([H:13])[C:5]([H:10])([H:11])[O:3]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3",48.75248,-16.13084,ketoenol
1195,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[N+:4]([C-:5]([H:10])[H:11])[C:6]([H:12])([H:13])[O:3]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4-5(2)3-6-4/h2-3H2,1H3",81.49651,62.48647,
1196,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:11])([H:7])([H:8])[H:9].[N:4]1=[C:5]([H:10])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C2H3N.C2H4O/c1-2-3-1;1-2-3/h1H,2H2;2H,1H3",87.74982,39.903290000000005,
1197,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:9])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h6H,1-3H2",66.08964,19.56214,ketoenol
1198,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([N:4]1[C:2](=[O:3])[C:6]([H:12])([H:13])[C:5]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3",92.2649,-13.35855,
1199,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[N+:4]([C-:5]([H:10])[H:11])=[C:6]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(6)5(2)3/h2-3H2,1H3",49.1538,36.13501,
1200,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[N+:4]1([H:12])[C:5]([H:10])([H:11])[C-:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2,5H,3H2,1H3",68.4198,58.18734,
1201,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:5]([N:4]=[C:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(6)3-5-2/h2-3H2,1H3",75.48266,-2.93736,
1202,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:12])=[N:4]/[C:6](=[C:5]([H:10])[H:11])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-3-5-4(2)6/h3H,1H2,2H3,(H,5,6)",59.92171,-9.69919,
1203,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C@:2]12[O:3][N:4]1[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4-2-3-5(4)6-4/h2-3H2,1H3/t4-,5?/m1/s1",96.465,48.22047,
1204,[C:1]([C:2]#[C:3][C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]=[C:3]([C:4](=[O:5])[H:9])[H:7])([H:6])[H:8],"InChI=1S/C4H4O/c1-2-3-4-5/h4H,1H3","InChI=1S/C4H4O/c1-2-3-4-5/h3-4H,1H2",87.35204,-0.44866999999999996,
1205,[C:1]([C:2]#[C:3][C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]=[C:3]=[C:4]([O:5][H:7])[H:9])([H:6])[H:8],"InChI=1S/C4H4O/c1-2-3-4-5/h4H,1H3","InChI=1S/C4H4O/c1-2-3-4-5/h4-5H,1H2",60.97445,16.11125,
1206,[C:1]([C:2]#[C:3][C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]=[C:4]=[O:5])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H4O/c1-2-3-4-5/h4H,1H3","InChI=1S/C4H4O/c1-2-3-4-5/h2H,1H3",74.83564,0.13588,
1207,[C:1]([C:2]#[C:3][C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C+:2]=[C:3]=[C-:4][O:5][H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H4O/c1-2-3-4-5/h4H,1H3","InChI=1S/C4H4O/c1-2-3-4-5/h5H,1H3",78.57223,48.10602,
1208,[C:1]([C:2]#[C:3][C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3])[C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H4O/c1-2-3-4-5/h4H,1H3","InChI=1S/C4H4O/c1-4(2)3-5/h3H,1H3",52.37811,49.61022,
1209,[C:1]([C:2]#[C:3][C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]([C+:3]=[C:4]([O-:5])[H:9])[H:7])([H:6])[H:8],"InChI=1S/C4H4O/c1-2-3-4-5/h4H,1H3","InChI=1S/C4H4O/c1-2-3-4-5/h2,4H,1H2",74.48483,54.15818,
1210,[C:1]([C:2]#[C:3][C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]=[C:3]=[C:4]=[O:5])([H:6])[H:8].[H:7][H:9],"InChI=1S/C4H4O/c1-2-3-4-5/h4H,1H3",InChI=1S/C4H2O.H2/c1-2-3-4-5;/h1H2;1H,70.7623,31.91882,
1211,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C+:3]=[C:5]([O-:6])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C4H6O.CH4/c1-2-3-4-5;/h4H,2H2,1H3;1H4",87.73973000000001,83.76274000000001,
1212,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:5]([C:4]([H:13])([H:14])[H:15])=[O:6])([H:12])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3",77.92177,-7.254989999999999,
1213,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:12])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m1/s1",75.29002,17.95179,
1214,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:6]/[C:5](=[C:3](\[C:4]([H:13])([H:14])[H:15])[H:12])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h3,5H,4H2,1-2H3/b5-3-",95.76301,19.663610000000002,ketoenol
1215,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]([C:3]([C:4]([H:13])([H:14])[H:15])([H:12])[H:16])=[O:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3",75.43798000000001,-7.5358600000000004,
1216,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:5]([C:4]([H:13])([H:14])[H:15])([O:6][H:7])[H:16])[H:12],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1",90.13154,16.10417,
1217,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C:4]([H:13])([H:14])[H:15])[H:12])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:16],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3-4H,1-2H3;1H2/b4-3-;",70.53983000000001,28.053279999999997,
1218,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[C:5](\[O:6][C:4]([H:13])([H:14])[H:15])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-3-4-5-6-2/h4-5H,3H2,1-2H3/b5-4-",101.77956999999999,23.10335,ketoenol
1219,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3]([C:4]([H:13])([H:14])[H:15])=[C:5](\[O:6][H:12])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h4,6H,3H2,1-2H3/b5-4-",71.7187,9.37335,ketoenol
1220,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5][O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h5-6H,3H2,1-2H3/t5-/m1/s1",80.52306,53.8222,
1221,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3](=[C:4]([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:16],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C4H8.CO.H2/c1-3-4-2;1-2;/h3H,1,4H2,2H3;;1H",75.08253,28.866670000000003,
1222,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([H:7])([H:8])([H:9])[H:16].[C:2](=[C:3]([C:4]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C3H6.CO.CH4/c1-3-2;1-2;/h3H,1H2,2H3;;1H4",91.6575,15.751129999999998,
1223,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O+:6]=[C-:5][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h3,5H,4H2,1-2H3/t5-/m1/s1",110.7683,61.09421,
1224,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[C@:5]([C:4]([H:13])([H:14])[H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m1/s1",81.8569,18.3289,
1225,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[N+:1]1([H:7])([H:8])[C:2](=[C:6]([C:5](=[O:4])[H:9])[H:10])[N-:3]1,"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c6-2-1-3-4-5-3/h1-2H,4H2",56.8057,50.724990000000005,
1226,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[C:5](#[C:6][H:10])[H:9].[N:1]([C:2]#[N+:3][O-:4])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)",InChI=1S/C2H2.CH2N2O/c1-2;2-1-3-4/h1-2H;2H2,99.10472,85.61634000000001,
1227,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]1=[N:3][C@:6]1([C:5](=[O:4])[H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-2(1-6)5-3/h1-2H,(H2,4,5)/t2-/m0/s1",62.60471999999999,10.62166,ketoenol
1228,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]1=[C+:6][C:5]([H:9])([H:10])[O:4][N-:3]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h2,4H2",73.57961999999999,74.51116,Singlet_Carbene_Intra_Disproportionation
1229,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]1=[C:6]([H:10])[C@@:5]2([H:9])[N:3]1[O:4]2)([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-2-1-3-5(2)6-3/h1,3H,4H2/t3-,5?/m0/s1",89.36673,68.27049,
1230,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[N+:1]([C:2]1=[C:6]=[C:5]([H:9])[O:4][N-:3]1)([H:7])([H:8])[H:10],"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)","InChI=1S/C3H3N2O/c4-3-1-2-6-5-3/h2H,4H2/q-1/p+1",84.72284,75.71236,
1231,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]([N:3]=[O:4])=[C:6]=[C:5]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c1-2-3(4)5-6/h1,4H2",73.58931,59.72149,
1232,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[N:1](=[C:2]1[N-:3][O+:4]=[C:5]([H:9])[C:6]1([H:7])[H:10])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h2,4H,1H2",93.45815,52.69214,
1233,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]1=[N:3][O+:4]=[C-:5][C:6]1([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1H2,(H2,4,5)",68.03231,49.27791,Singlet_Carbene_Intra_Disproportionation
1234,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[N:1]([C@@:6]([C:2]#[N:3])([C:5](=[O:4])[H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-1-3(5)2-6/h2-3H,5H2/t3-/m0/s1",97.79827,-10.42106,
1235,[n:1]1([H:6])[c:2]([H:7])[n:3][n:4][c:5]1[H:8],[N:1](=[C:2](/[N:3]1[N:4]=[C:5]1[H:8])[H:7])\[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)",InChI=1S/C2H3N3/c3-1-5-2-4-5/h1-3H/b3-1+,102.28975,70.9846,
1236,[n:1]1([H:6])[c:2]([H:7])[n:3][n:4][c:5]1[H:8],[N:1](=[C:5](/[C-:2]([N+:3]#[N:4])[H:7])[H:8])\[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)",InChI=1S/C2H3N3/c3-1-2-5-4/h1-3H/b3-1+,121.49767,30.10032,
1237,[n:1]1([H:6])[c:2]([H:7])[n:3][n:4][c:5]1[H:8],[N:1]1=[C:2]([H:7])[N:3]=[N:4][C:5]1([H:6])[H:8],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-3-2-5-4-1/h1H,2H2",52.68014,23.88654,
1238,[n:1]1([H:6])[c:2]([H:7])[n:3][n:4][c:5]1[H:8],[N:1](=[C:5](/[N-:4][N+:3]#[C:2][H:7])[H:8])\[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)",InChI=1S/C2H3N3/c1-4-5-2-3/h1-3H/b3-2+,64.96752,56.7502,
1239,[n:1]1([H:6])[c:2]([H:7])[n:3][n:4][c:5]1[H:8],[n+:1]1([H:6])[c-:2][n:3]([H:7])[n:4][c:5]1[H:8],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-3-2-5-4-1/h1,3H,(H,4,5)",65.48255999999999,19.795189999999998,
1240,[n:1]1([H:6])[c:2]([H:7])[n:3][n:4][c:5]1[H:8],[N-:3]([N+:4]#[C:5][H:8])[H:7].[N:1](=[C:2])[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)",InChI=1S/CH2N2.CHN/c1-3-2;1-2/h1-2H;2H,110.97931000000001,85.73102,
1241,[n:1]1([H:6])[c:2]([H:7])[n:3][n:4][c:5]1[H:8],[C:2](#[N:3])[H:7].[N:1](=[C:5]=[N:4][H:8])[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)",InChI=1S/CH2N2.CHN/c2-1-3;1-2/h2-3H;1H,91.28169,10.659189999999999,
1242,[n:1]1([H:6])[c:2]([H:7])[n:3][n:4][c:5]1[H:8],[N+:1](=[C-:2][H:7])([C:5](=[N+:4]=[N-:3])[H:8])[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-4-2-5-3/h1-2,4H",90.63268000000001,86.49634,
1243,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3](=[C:4]([H:13])[H:14])([C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])[H:12].[H:9][H:15],"InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3","InChI=1S/C4H8.C2H4.H2/c1-3-4-2;1-2;/h3H,1,4H2,2H3;1-2H2;1H",96.60453000000001,53.796380000000006,
1244,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C:4]([H:13])([H:14])[H:15])[C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])[H:10])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3","InChI=1S/C6H12.H2/c1-4-6(3)5-2;/h4H,5H2,1-3H3;1H/b6-4+;",109.61496000000001,26.58128,
1245,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:4]([H:13])([H:14])[H:15])[H:12])[H:10])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:18])[H:19])([H:16])[H:17].[H:11][H:20],"InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3","InChI=1S/C4H8.C2H4.H2/c1-3-4-2;1-2;/h3-4H,1-2H3;1-2H2;1H/b4-3+;;",94.93514,50.606590000000004,
1246,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O+:4][C-:5]([C:6]([H:16])([H:17])[H:18])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:15],"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","InChI=1S/C5H10O.H2/c1-3-5-6-4-2;/h4-5H,3H2,1-2H3;1H",82.47440999999999,78.63369,
1247,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[O:4]([C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])[H:11],"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","InChI=1S/C3H6.C2H6O/c1-3-2;1-2-3/h3H,1H2,2H3;3H,2H2,1H3",69.57124,14.14199,"1,3_Insertion_ROR"
1248,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:16])[H:18])([H:14])[H:15].[H:13][H:17],"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","InChI=1S/C3H6O.C2H4.H2/c1-2-3-4;1-2;/h3H,2H2,1H3;1-2H2;1H",74.99554,34.412209999999995,
1249,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:4][H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:16])[H:18])([H:14])[H:15],"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","InChI=1S/C3H8O.C2H4/c1-2-3-4;1-2/h4H,2-3H2,1H3;1-2H2",68.12425999999999,17.5976,"1,3_Insertion_ROR"
1250,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:4][C:5](=[C:6]([H:16])[H:18])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[H:15][H:17],"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","InChI=1S/C5H10O.H2/c1-3-5-6-4-2;/h4H,2-3,5H2,1H3;1H",107.63542,28.5065,
1251,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O+:4][C-:5]([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:6]([H:13])([H:16])([H:17])[H:18],"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","InChI=1S/C4H8O.CH4/c1-3-4-5-2;/h4H,2-3H2,1H3;1H4",95.38287,73.505,
1252,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[H:11][H:15].[O:4]=[C:5]([C:6]([H:16])([H:17])[H:18])[H:14],"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","InChI=1S/C3H6.C2H4O.H2/c1-3-2;1-2-3;/h3H,1H2,2H3;2H,1H3;1H",74.79361999999999,30.43433,
1253,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[C:6][H:8],[O:1]=[C:2]([C:3](=[C:4])[H:7])[C:5]#[C:6][H:8],InChI=1S/C5H2O/c1-3-5(6)4-2/h1-2H,"InChI=1S/C5H2O/c1-3-5(6)4-2/h1,4H",41.739090000000004,45.6504,Singlet_Carbene_Intra_Disproportionation
1254,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[C:6][H:8],[O+:1](=[C-:2][C:5]#[C:6][H:8])[C:3]#[C:4][H:7],InChI=1S/C5H2O/c1-3-5(6)4-2/h1-2H,InChI=1S/C5H2O/c1-3-5-6-4-2/h1-2H,99.68637,70.65268,
1255,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[C:6][H:8],[O:1]=[C:2]=[C:3]=[C:4]([C:5]#[C:6][H:8])[H:7],InChI=1S/C5H2O/c1-3-5(6)4-2/h1-2H,"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,3H",78.58309,-4.5793,
1256,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[c:5]1[H:10],[N:1](=[C:2](/[C:3](=[C:4]=[C:5]([H:9])[H:10])[H:8])[H:7])\[H:6],InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H,"InChI=1S/C4H5N/c1-2-3-4-5/h3-5H,1H2/b5-4+",71.982,43.644690000000004,
1257,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[c:5]1[H:10],[N:1]1([H:6])[C:2][C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]1[H:10],InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H,"InChI=1S/C4H5N/c1-2-4-5-3-1/h1,3,5H,2H2",61.50431,52.466280000000005,Singlet_Carbene_Intra_Disproportionation
1258,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[c:5]1[H:10],[N:1]1([H:6])[C:2]([H:7])([H:8])[C-:3]=[C:4]([H:9])[C+:5]1[H:10],InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H,"InChI=1S/C4H5N/c1-2-4-5-3-1/h1,3,5H,4H2",71.9829,66.8891,Singlet_Carbene_Intra_Disproportionation
1259,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[c:5]1[H:10],[N+:1]1([H:6])([H:7])[C-:2]=[C:3]([H:8])[C:4]([H:9])=[C:5]1[H:10],InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H,"InChI=1S/C4H5N/c1-2-4-5-3-1/h1-3H,5H2",88.17134,79.30766,
1260,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[c:5]1[H:10],[N:1]([C:2](=[C:3])[H:7])([C:5](=[C:4]([H:8])[H:9])[H:10])[H:6],InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H,"InChI=1S/C4H5N/c1-3-5-4-2/h3-5H,1H2",101.94948000000001,103.03165,
1261,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[c:5]1[H:10],[N:1]1([H:6])[C:2]([H:7])=[C-:3][C:4]([H:8])([H:9])[C+:5]1[H:10],InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H,"InChI=1S/C4H5N/c1-2-4-5-3-1/h3-5H,1H2",81.9515,79.90554,
1262,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[c:5]1[H:10],[N:1]1=[C:5]([H:10])[C:4]([H:9])=[C:3]([H:8])[C:2]1([H:6])[H:7],InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H,"InChI=1S/C4H5N/c1-2-4-5-3-1/h1-3H,4H2",45.98969,15.6681,
1263,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C-:3]=[N+:4]([H:11])[C:5]([H:12])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h3-5H,1H3/t4-/m1/s1",60.45635,52.11047,Singlet_Carbene_Intra_Disproportionation
1264,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C+:3][N:4]([H:11])[C:5]([H:10])([H:12])[N-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h5H,3H2,1H3",120.98433999999999,52.00016,
1265,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N+:6]#[C:2][C-:3]([N+:4](=[C-:5][H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-5-3-4-6-2/h1,3,5H,2H3",151.05253000000002,95.5478,
1266,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C-:3]([H:10])[N:4]([H:11])[C+:5]([H:12])[N:6]1[H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3,5-6H,1H2",79.67299,54.06821,
1267,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C-:3][N+:4]([H:10])([H:11])[C:5]([H:12])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h3H,5H2,1H3",91.53959,83.92904,
1268,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[N:4]([H:11])[C:5][N:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2,5-6H,1H3",68.40387,28.752190000000002,
1269,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([n+:6]1[c-:2][c:3]([H:10])[n:4]([H:11])[c:5]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2,4-5H,1H3",116.25381000000002,54.41895,
1270,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[N:6][C:5](=[N:4][H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-2-3-6-4-5/h2,4-5H,1H3",103.79201,42.72749,
1271,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:6][C:5]([H:11])([H:12])[N:4]=[C:3]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2H,3H2,1H3",46.6663,15.34405,
1272,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:6][C:5]([H:12])=[N:4][C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h3H,2H2,1H3",47.54157,14.245679999999998,
1273,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[N:4]/[H:11])[H:10])=[N+:6]=[C-:5][H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4(3-5)6-2/h2-3,5H,1H3/b5-3+",68.91963,65.23914,
1274,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:7])([H:10])[N:4]([H:11])[C:5]([H:12])=[N:6]1)([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h3H,1-2H2,(H,5,6)",95.14482,21.76511,
1275,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[N:6]1/[C:5](=[N:4]/[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-6(4)3-5/h2-3,5H,1H3/b5-3+",106.62812,86.42,
1276,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[C:5]([H:12])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[O:6]([H:13])[H:16],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O.H2O/c1-3-4(2)5;/h3H2,1-2H3;1H2",79.41178000000001,-6.592789999999999,
1277,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:4][H:13])=[C:5]([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[O:6]([H:12])[H:16],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O.H2O/c1-3-4(2)5;/h5H,2-3H2,1H3;1H2",72.70586999999999,5.27602,"1,3_Insertion_ROR"
1278,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][H:13])([H:7])([H:8])[H:9].[C:2](=[C:3]([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH4O/c1-2-3-4;1-2/h2,4H,1,3H2;2H,1H3",114.16148999999999,30.572640000000003,"1,3_Insertion_ROR"
1279,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:4][H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:3]([C:5]([O:6][H:16])([H:14])[H:15])[H:12],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C2H6O.C2H4O/c2*1-2-3/h3H,2H2,1H3;1,3H,2H2",123.04778,24.777,
1280,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:5](=[O:6])[H:15])([H:12])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[O:4]([H:13])[H:16],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O.H2O/c1-2-3-4-5;/h4H,2-3H2,1H3;1H2",66.48161,1.80456,
1281,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:5]([O:6][H:16])([H:14])[H:15])[H:12])[H:11])([H:7])([H:8])[H:9].[O:4]([H:10])[H:13],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O.H2O/c1-2-3-4-5;/h2-3,5H,4H2,1H3;1H2/b3-2+;",69.28915,14.267389999999999,"1,3_Insertion_ROR"
1282,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[O:4][C:5]1([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[O:6]([H:13])[H:16],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O.H2O/c1-2-4-3-5-4;/h4H,2-3H2,1H3;1H2/t4-;/m1./s1",73.43511,22.77585,
1283,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[C:3]([O:4][H:8])([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C2H6O2.C2H4/c3-1-2-4;1-2/h3-4H,1-2H2;1-2H2",116.76839,30.54743,
1284,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:14][H:16],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2.H2/c1-2-4(6)3-5;/h3-4,6H,2H2,1H3;1H/t4-;/m1./s1",85.90479,20.54265,
1285,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:16],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2.H2/c1-2-4(6)3-5;/h5H,2-3H2,1H3;1H",70.01276,12.495339999999999,
1286,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:13])[H:12])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:14])[H:15].[H:10][H:16],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O.H2/c1-2-3-4;1-2;/h2-4H,1H3;1H2;1H/b3-2-;;",89.27051,44.991009999999996,
1287,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[O:4]([C:5]([O:6][H:16])([H:14])[H:15])[H:13],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H6.CH4O2/c1-3-2;2-1-3/h1H,3H2,2H3;2-3H,1H2",117.78941,20.86224,
1288,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[C:5]([O:6][H:13])[H:11].[N:1]([C:2](=[O:3])[C:4]([H:9])([H:10])[H:12])([H:7])[H:8],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C2H5NO.CH2O/c1-2(3)4;1-2/h1H3,(H2,3,4);1-2H",84.08259,69.54054000000001,
1289,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[C:2](=[O:3])=[C:4]([C:5]([O:6][H:13])([H:11])[H:12])[H:10].[N:1]([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C3H4O2.H3N/c4-2-1-3-5;/h1,4H,2H2;1H3",77.52226,37.32886,"1,3_NH3_elimination"
1290,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[N:1](=[C:2](/[O:3][H:7])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])\[H:8],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)",45.244479999999996,12.4174,ketoenol
1291,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:4](=[C:5]([H:11])[H:12])[H:10])([H:7])[H:8].[O:6]([H:9])[H:13],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C3H5NO.H2O/c1-2-3(4)5;/h2H,1H2,(H2,4,5);1H2",64.25064,13.4388,"1,3_Insertion_ROR"
1292,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[N:1]([C@:2]1([H:9])[O:3][C@:4]1([C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])[H:8],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C3H7NO2/c4-3-2(1-5)6-3/h2-3,5H,1,4H2/t2-,3+/m0/s1",107.07003,41.546459999999996,
1293,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[N:1]([C@@:2]1([O:3][H:13])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])[H:8],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C3H7NO2/c4-3(5)1-2-6-3/h5H,1-2,4H2/t3-/m1/s1",50.05727,26.533720000000002,
1294,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[N:1]([C@@:2]1([O:3][H:12])[C:4]([H:9])([H:10])[C@@:5]1([O:6][H:13])[H:11])([H:7])[H:8],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C3H7NO2/c4-3(6)1-2(3)5/h2,5-6H,1,4H2/t2-,3+/m0/s1",86.01919000000001,40.71962,
1295,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[C:4]([C:5](=[O:6])[H:11])([H:9])([H:10])[H:12].[N:1]([C:2](=[O:3])[H:13])([H:7])[H:8],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C2H4O.CH3NO/c1-2-3;2-1-3/h2H,1H3;1H,(H2,2,3)",99.59597,13.58874,
1296,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C2H6O.CHNO/c1-2-3;2-1-3/h3H,2H2,1H3;2H",82.23862,12.9085,
1297,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[N:1]([C-:2]=[O+:3][C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C3H7NO2/c4-3-6-2-1-5/h5H,1-2,4H2",106.43274,51.44613,
1298,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([O:3][C:5]([O:6][H:13])([H:11])[H:12])=[C:4]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C3H7NO2/c1-3(4)6-2-5/h5H,1-2,4H2",85.23175,30.03665,ketoenol
1299,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[C:4](=[C:5]([H:11])[H:12])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:8].[O:6]([H:7])[H:13],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)",InChI=1S/C2H4.CHNO.H2O/c1-2;2-1-3;/h1-2H2;2H;1H2,69.88275,25.99549,
1300,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[C:4](=[C:5]([O:6][H:13])[H:11])([H:9])[H:10].[N:1]([C:2](=[O:3])[H:12])([H:7])[H:8],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C2H4O.CH3NO/c1-2-3;2-1-3/h2-3H,1H2;1H,(H2,2,3)",91.8051,24.37292,
1301,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1](\[O:2][C:3]([H:7])([H:9])[H:10])(=[C:6]([C:4](=[N:5]/[H:12])\[H:11])/[H:13])[H:8],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-6-4-2-3-5/h2-5H,1H3/b4-2-,5-3-",136.62374,2.52482,
1302,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[N+:5]2([H:12])[C-:4]([H:11])[C@:6]12[H:13],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-4-2-6-3-5(1)4/h1,4-5H,2-3H2/t4-/m1/s1",112.77663000000001,58.98125,
1303,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1](=[O:2])([H:7])[H:8].[C:3](=[C:4](/[C:6](=[N:5]\[H:12])[H:13])[H:11])([H:9])[H:10],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C3H5N.CH2O/c1-2-3-4;1-2/h2-4H,1H2;1H2/b4-3-;",92.43683,11.961310000000001,
1304,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]([O:2][C:3]([C@@:4]1([H:11])[N:5]([H:12])[C:6]1)([H:9])[H:10])([H:7])([H:8])[H:13],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-6-3-4-2-5-4/h4-5H,3H2,1H3/t4-/m0/s1",85.03433000000001,58.15041,
1305,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]([O:2][H:12])([C@@:6]1([H:13])[C@@:4]2([H:11])[C:3]([H:9])([H:10])[N:5]21)([H:7])[H:8],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c6-2-4-3-1-5(3)4/h3-4,6H,1-2H2/t3-,4+,5?/m1/s1",89.3703,27.55453,
1306,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[N:5]=[C:6]1[H:13],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-3-6-4-2-5-1/h1H,2-4H2",65.61372,-10.73776,
1307,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C:6]1([N:5]([C:4][H:11])[H:12])[H:13],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-5-4-2-6-3-4/h1,4-5H,2-3H2",105.81388999999999,52.079609999999995,
1308,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[O+:2]=[C-:3][C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13].[H:9][H:10],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H5NO.H2/c1-3-4(5-3)2-6-1;/h3-5H,1H2;1H/t3-,4+;/m0./s1",84.17106,68.04601,
1309,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C-:4]2[N+:5]([H:11])([H:12])[C@@:6]12[H:13],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3H,1-2,5H2/t3-/m0/s1",61.10357,47.87321,
1310,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C-:1](=[O+:2][C:3]([C@@:4]1([H:11])[N:5]([H:12])[C:6]1([H:8])[H:13])([H:9])[H:10])[H:7],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-6-3-4-2-5-4/h1,4-5H,2-3H2/t4-/m0/s1",84.25752,68.56262,
1311,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]([O:2][C:3](=[C:4]([H:9])[H:11])[H:10])(/[C:6](=[N:5]\[H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-2-6-4-3-5/h2-3,5H,1,4H2/b5-3-",80.72624,-0.30056,
1312,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C:4][N:5]([H:12])[C:6]1([H:11])[H:13],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-3-6-4-2-5-1/h5H,1,3-4H2",74.26952,73.78998,
1313,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]([O+:2]=[C:3]([C@@:4]1([H:11])[N:5]([H:12])[C-:6]1[H:13])[H:9])([H:7])([H:8])[H:10],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-6-3-4-2-5-4/h2-5H,1H3/t4-/m0/s1",137.93887,84.01024,
1314,[C:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C-:4])[N+:6]#[C:5])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h2H2,1H3","InChI=1S/C5H5N/c1-4-5(2)6-3/h4H2,1H3",94.21439000000001,81.53149,
1315,[C:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:3]1=[C:4]([C:5]#[N:6])[C:2]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h2H2,1H3","InChI=1S/C5H5N/c1-4-2-5(4)3-6/h2H2,1H3",91.40453000000001,15.686079999999999,
1316,[C:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h2H2,1H3","InChI=1S/C5H5N/c1-3-5(2)4-6/h3H2,1H3",54.634440000000005,55.88677,
1317,[C:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]#[C:4][N+:6]#[C-:5])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h2H2,1H3","InChI=1S/C5H5N/c1-3-4-5-6-2/h3H2,1H3",63.44368000000001,27.81036,
1318,[C:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]=[C:5]=[N:6][H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h2H2,1H3","InChI=1S/C5H5N/c1-2-3-4-5-6/h2,6H,1H3",89.73807,28.880129999999998,
1319,[C:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C+:4]=[C:5]=[N-:6])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h2H2,1H3","InChI=1S/C5H5N/c1-2-3-4-5-6/h2-3H,1H3/b3-2-",70.71171,48.15975,
1320,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:5]=[O+:6]1)([H:7])([H:8])[H:9].[C:3](=[O:4])([H:11])[H:12],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H4O.CH2O/c1-3-2-4-3;1-2/h3H,1H3;1H2/t3-;/m0./s1",115.31924,90.79405,
1321,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([O:6][H:10])[O:4][C:3]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h5H,2H2,1H3",89.73644,32.34052,ketoenol
1322,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:5]([O:4][C:3]([H:10])([H:11])[H:12])[O-:6])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1",InChI=1S/C4H6O2/c1-3-4(5)6-2/h1-2H3,78.78609,75.0996,
1323,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[O:6])[H:10])([H:7])([H:8])[H:9].[C:3](=[O:4])([H:11])[H:12],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h2H,1H3;1H2",59.314009999999996,32.898920000000004,2+2_cycloaddition
1324,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:4][H:10])([H:11])[H:12])=[C:5]=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-4(2-5)3-6/h5H,2H2,1H3",80.0549,18.41863,
1325,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3",92.06246,8.288780000000001,
1326,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@:2]([C:3]([O:4][H:7])([H:11])[H:12])([H:10])[C:5]1=[O:6],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h3,5H,1-2H2/t3-/m0/s1",92.48324000000001,37.913740000000004,
1327,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[O:4]=[C:5]=[O:6],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6.CO2/c1-3-2;2-1-3/h3H,1H2,2H3;",43.0412,-15.589,2+2_cycloaddition
1328,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O.CO/c1-3-2-4-3;1-2/h3H,2H2,1H3;/t3-;/m0./s1",91.08539,25.89859,
1329,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:5]([C:2]([C:3](=[O:4])[H:11])([H:10])[H:12])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3",102.31269,1.8251099999999998,
1330,[C:1]([O:2][C:3](=[O:4])[C:5]#[C:6][H:10])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][O:4][C:5]#[C:6][H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3","InChI=1S/C4H4O2/c1-3-6-4-5-2/h1H,2H3",99.56792,65.55329,
1331,[C:1]([O:2][C:3](=[O:4])[C:5]#[C:6][H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]#[C:5][C:6](=[O:4])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3","InChI=1S/C4H4O2/c1-6-4-2-3-5/h3H,1H3",84.41816999999999,23.525270000000003,
1332,[C:1]([O:2][C:3](=[O:4])[C:5]#[C:6][H:10])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:7])[H:9].[c:3]1(=[O:4])[c:5]([H:8])[c:6]1[H:10],"InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3",InChI=1S/C3H2O.CH2O/c4-3-1-2-3;1-2/h1-2H;1H2,79.86731999999999,34.866620000000005,
1333,[C:1]([O:2][C:3](=[O:4])[C:5]#[C:6][H:10])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:7])[H:9].[C:3](#[O+:4])[C:5](=[C-:6][H:10])[H:8],"InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3",InChI=1S/C3H2O.CH2O/c1-2-3-4;1-2/h1-2H;1H2,79.4006,59.49281,
1334,[C:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[N:6]([C:5](=[O:4])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(5)6-2-4/h2,4H,1H3/b4-2+","InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)",25.97532,-13.67036,ketoenol
1335,[C:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:8])([N:6]([C:5](=[O:4])[H:10])[H:11])([H:7])[H:9],"InChI=1S/C3H5NO2/c1-3(5)6-2-4/h2,4H,1H3/b4-2+","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)",107.71665,5.63855,
1336,[C:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:8])[O:4]/[C:5](=[N:6]/[H:11])[H:10])([H:7])[H:9],"InChI=1S/C3H5NO2/c1-3(5)6-2-4/h2,4H,1H3/b4-2+","InChI=1S/C3H5NO2/c1-3(5)6-2-4/h2,4-5H,1H2/b4-2+",71.97053000000001,26.09957,ketoenol
1337,[C:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[O+:4]=[C-:5][N:6]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(5)6-2-4/h2,4H,1H3/b4-2+","InChI=1S/C3H5NO2/c1-3(5)6-2-4/h4H2,1H3",73.08161,27.90264,
1338,[C:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([O+:3]=[C-:2][O:4]/[C:5](=[N:6]/[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(5)6-2-4/h2,4H,1H3/b4-2+","InChI=1S/C3H5NO2/c1-5-3-6-2-4/h2,4H,1H3/b4-2+",110.29521000000001,64.03617,
1339,[C:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:7])[H:9].[O:4]=[C:5]([N:6]([H:8])[H:11])[H:10],"InChI=1S/C3H5NO2/c1-3(5)6-2-4/h2,4H,1H3/b4-2+","InChI=1S/C2H2O.CH3NO/c1-2-3;2-1-3/h1H2;1H,(H2,2,3)",35.467040000000004,14.685020000000002,Retroene
1340,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C:1]([C:3](=[C:2]([H:9])[H:10])[H:11])([H:7])([H:8])[H:15].[N:4]1=[C:6]([H:14])[C:5]1([H:12])[H:13],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C3H6.C2H3N/c1-3-2;1-2-3-1/h3H,1H2,2H3;1H,2H2",89.9392,16.91529,
1341,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N+:4]([C-:5]([H:12])[H:13])=[C:6]([H:14])[H:15])[H:11],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C5H9N/c1-6(2)5-3-4-5/h5H,1-4H2",49.21966,25.56632,
1342,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N+:4]1([H:13])[C-:5]([H:12])[C:6]1([H:14])[H:15])[H:11],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h3,5-6H,1-2,4H2",66.38886,55.29064,
1343,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1=[N+:4]1[C:5]([H:12])([H:13])[C-:6]1[H:14].[H:11][H:15],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C5H7N.H2/c1-2-5(1)6-3-4-6;/h3H,1-2,4H2;1H",93.75504000000001,84.21485,
1344,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:6]([H:14])([H:15])[N+:4]([C-:5]([H:12])[H:13])=[C:3]1[H:11],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C5H9N/c1-6-4-2-3-5-6/h4H,1-3,5H2",83.3286,-0.9436700000000001,
1345,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C:1]([C:2]([C-:3]([N+:4]1=[C:6]([H:14])[C:5]1([H:12])[H:13])[H:11])([H:9])[H:10])([H:7])([H:8])[H:15],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C5H9N/c1-2-3-6-4-5-6/h3-4H,2,5H2,1H3",70.65575,34.1788,
1346,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C:1]1([H:7])([H:8])[C:2]([H:10])=[C:3]1[N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15].[H:9][H:11],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C5H7N.H2/c1-2-5(1)6-3-4-6;/h1H,2-4H2;1H",118.7052,51.84397,
1347,[O:1]([C:2]([C:3]([O:4][H:10])([H:8])[H:9])([H:6])[H:7])[H:5],[O:1]1[C:2]([H:6])([H:7])[C:3]1([H:8])[H:9].[O:4]([H:5])[H:10],"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2",InChI=1S/C2H4O.H2O/c1-2-3-1;/h1-2H2;1H2,75.08599,23.694779999999998,
1348,[O:1]([C:2]([C:3]([O:4][H:10])([H:8])[H:9])([H:6])[H:7])[H:5],[C:2]([C:3](=[O:4])[H:8])([H:6])([H:7])[H:9].[O:1]([H:5])[H:10],"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2","InChI=1S/C2H4O.H2O/c1-2-3;/h2H,1H3;1H2",70.61129,-2.8582099999999997,
1349,[O:1]([C:2]([C:3]([O:4][H:10])([H:8])[H:9])([H:6])[H:7])[H:5],[C:3]([H:8])[H:9].[O:1]([C:2]([O:4][H:10])([H:6])[H:7])[H:5],"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2","InChI=1S/CH4O2.CH2/c2-1-3;/h2-3H,1H2;1H2",119.65003999999999,105.60858999999999,
1350,[O:1]([C:2]([C:3]([O:4][H:10])([H:8])[H:9])([H:6])[H:7])[H:5],[C:3](=[O:4])([H:8])[H:9].[O:1]([C:2]([H:5])([H:6])[H:7])[H:10],"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2","InChI=1S/CH4O.CH2O/c2*1-2/h2H,1H3;1H2",97.03039,19.637729999999998,
1351,[O:1]([C:2]([C:3]([O:4][H:10])([H:8])[H:9])([H:6])[H:7])[H:5],[H:5][H:8].[O:1]([C:2]([C:3](=[O:4])[H:9])([H:6])[H:7])[H:10],"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2","InChI=1S/C2H4O2.H2/c3-1-2-4;/h1,4H,2H2;1H",76.62529,17.12239,
1352,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5][O:6][H:15])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-4(2)5-3-6/h4-6H,1-2H3",73.00639,39.661559999999994,
1353,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N+:4]1([H:14])[C-:5]([H:15])[O:6]1)[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-4(2)5-3-6-5/h3-5H,1-2H3",133.35416,122.10002,
1354,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[N:4][H:14])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:15],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C3H7N.CH2O/c1-3(2)4;1-2/h4H,1-2H3;1H2",103.40696,33.59955,
1355,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:14].[C:2](\[C:3]([H:11])([H:12])[H:13])(=[N:4]/[C:5](=[O:6])[H:15])[H:10],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C3H5NO.CH4/c1-2-4-3-5;/h2-3H,1H3;1H4/b4-2+;",94.04258,23.238129999999998,
1356,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C-:2]([C:3]([H:11])([H:12])[H:13])=[N+:4]([C:5](=[O:6])[H:15])[H:14].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C3H5NO.CH4/c1-2-4-3-5;/h3-4H,1H3;1H4",84.9158,63.13381,
1357,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])(/[N:4]=[C:5](/[O:6][H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)",45.23064,10.98515,ketoenol
1358,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@:2]([C:3]([H:11])([H:12])[H:13])([H:10])[N:4]1[H:14].[C:5](=[O:6])([H:8])[H:15],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C3H7N.CH2O/c1-3-2-4-3;1-2/h3-4H,2H2,1H3;1H2/t3-;/m1./s1",120.60646000000001,56.4968,
1359,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:4]([C+:5]([O-:6])[H:15])[H:14])[H:10])([H:7])[H:9].[C:3]([H:8])([H:11])([H:12])[H:13],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C3H5NO.CH4/c1-2-4-3-5;/h2-4H,1H2;1H4",111.4594,19.174870000000002,
1360,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C-:2]([N:4]([C:5](=[O+:6][C:3]([H:11])([H:12])[H:13])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-5-4-6-2/h3-5H,1-2H3",104.4905,76.28732,
1361,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:6]/[C:5](=[N:4]/[H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-4(2)6-3-5/h3-5H,1-2H3/b5-3+",70.39848,16.38806,ketoenol
1362,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]1([H:7])[C:2]([H:8])([H:11])[O:3][C:4]([H:9])([H:10])[C:5]1=[O:6],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c5-3-1-6-2-4-3/h1-2H2,(H,4,5)",64.80283,-16.36457,
1363,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[C:5](=[O:6])([H:7])[H:11].[N:1]#[C:2][H:8].[O:3]=[C:4]([H:9])[H:10],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+",InChI=1S/CHN.2CH2O/c3*1-2/h1H;2*1H2,83.74049000000001,34.06763,
1364,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2](/[O:3][C:4]([C:5][O:6][H:11])([H:9])[H:10])[H:8])\[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c4-3-6-2-1-5/h3-5H,2H2/b4-3+",81.1135,51.42837,
1365,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:5](/[C:4]([O:3][C:2](=[O:6])[H:8])([H:9])[H:10])[H:11])\[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c4-1-2-6-3-5/h1,3-4H,2H2/b4-1+",49.122240000000005,-6.52004,
1366,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([C:5]([C:4]([H:9])([H:10])[H:11])=[O:6])[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)",54.23072,-34.514340000000004,
1367,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]1([H:7])[C@@:2]2([H:8])[O:3][C:4]([H:9])([H:10])[C@:5]1([H:11])[O:6]2,"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c1-2-4-3(5-1)6-2/h2-4H,1H2/t2-,3-/m0/s1",67.90717,30.944609999999997,
1368,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([C@@:5]1([H:11])[C:4]([H:9])([H:10])[O:6]1)[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c5-2-4-3-1-6-3/h2-3H,1H2,(H,4,5)/t3-/m1/s1",44.48407,5.01091,
1369,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2]([H:8])[H:10])[H:7].[O:3]=[C:4]([C:5](=[O:6])[H:11])[H:9],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C2H2O2.CH3N/c3-1-2-4;1-2/h1-2H;2H,1H2",94.69491,25.235020000000002,
1370,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]12[C:2]([H:7])([H:8])[O:3][C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6]2,"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c1-3-4(6-3)2-5-1/h3H,1-2H2/t3-,4?/m1/s1",84.42926999999999,49.30755,
1371,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C-:2]=[O+:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1H,2,4H2",79.85993,33.766329999999996,
1372,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2][H:8])([O:6][C@@:5]1([H:11])[O:3][C:4]1([H:9])[H:10])[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c1-4-6-3-2-5-3/h1,3-4H,2H2/t3-/m1/s1",100.12406999999999,99.68593,
1373,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2])[H:7].[O:3]([C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C2H4O2.CHN/c3-1-2-4;1-2/h1,4H,2H2;2H",73.53641,29.02613,
1374,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]#[C:2][O:3][C:4]([C:5]([O:6][H:7])([H:8])[H:11])([H:9])[H:10],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c4-3-6-2-1-5/h5H,1-2H2",86.91254,9.60458,
1375,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)",53.502309999999994,-15.302810000000001,ketoenol
1376,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([O:6][C:5](=[C:4]([H:9])[H:10])[H:11])[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c1-2-6-4-3-5/h2-3H,1H2,(H,4,5)",78.3496,36.03982,
1377,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2](/[O:3]/[C:4](=[C:5](/[O:6][H:10])[H:11])[H:9])[H:8])\[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1-5H/b2-1+,4-3+",67.17732,9.6584,ketoenol
1378,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2](/[O:6][C@@:5]1([H:11])[O:3][C:4]1([H:9])[H:10])[H:8])\[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c4-2-6-3-1-5-3/h2-4H,1H2/b4-2+/t3-/m1/s1",70.87704000000001,22.27386,
1379,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]1([H:7])[C@@:2]([O:6][C:5](=[C:4]([H:9])[H:10])[H:11])([H:8])[O:3]1,"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c1-2-5-3-4-6-3/h2-4H,1H2/t3-/m1/s1",111.94424,61.435959999999994,
1380,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C-:2]#[O+:3].[C:1]([C:6]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8.CO/c1-3-4-2;1-2/h3H,1,4H2,2H3;",116.80605,2.97666,
1381,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:7])[H:9].[C:4]1([H:8])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3",InChI=1S/C3H6.C2H2O/c1-2-3-1;1-2-3/h1-3H2;1H2,85.66379,27.319640000000003,
1382,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[C:2](#[O+:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C-:6]1[H:14],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H4O.CH4/c5-3-4-1-2-4;/h1,4H,2H2;1H4/t4-;/m1./s1",132.90245,81.99478,
1383,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:8])([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])[H:9],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2",99.54903,12.70485,
1384,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[O:3][C:4]12[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C5H8O/c1-4-5(6-4)2-3-5/h4H,2-3H2,1H3/t4-/m0/s1",100.50524,34.78682,
1385,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([O+:3]=[C-:2][C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C5H8O/c1-6-4-5-2-3-5/h5H,2-3H2,1H3",113.7303,66.56338000000001,
1386,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:4]([H:10])[C:6]([H:13])([H:14])[C:5]([H:11])([H:12])[O:3]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h3H,2,4H2,1H3",60.282419999999995,-0.38918,ketoenol
1387,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:8])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])[H:9],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5-6H,1-3H2",64.84554,13.38625,ketoenol
1388,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:10])=[C:4]1[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h6H,2-3H2,1H3",70.37708,21.371470000000002,ketoenol
1389,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@:2]([C:4]2([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])([H:8])[O:3]1,"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m0/s1",100.95629,31.47733,
1390,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[C:4]([H:12])[H:13])[H:11])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-","InChI=1S/C5H8O/c1-3-5(2)4-6/h3-5H,1H2,2H3/t5-/m0/s1",38.01852,-45.83147,
1391,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]([C@:5]1([H:14])[C:4]([H:12])([H:13])[C-:3]=[O+:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h5H,2-3H2,1H3/t5-/m1/s1",63.216190000000005,8.28832,
1392,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:3]([O:6][H:13])([H:11])[C:4]([H:12])=[C:5]1[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h2-6H,1H3/t4-,5-/m1/s1",69.60954,-30.42275,
1393,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C@@:5]([C:4]([C:3][H:11])([H:12])[H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-","InChI=1S/C5H8O/c1-3-5-4(2)6-5/h1,4-5H,3H2,2H3/t4-,5+/m1/s1",87.36699,52.4721,
1394,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[O+:6]=[C-:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h4-5H,1-2H3/t4-,5-/m1/s1",65.12892,7.35456,
1395,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:4]([C:3]([C+:2]=[C:5]=[N-:6])([H:8])[H:9])([H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2","InChI=1S/C4H5NO/c5-3-1-2-4-6/h6H,2,4H2",89.09246,65.11766999999999,
1396,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[C:5]=[N:6][H:7].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2",InChI=1S/C3H4O.CHN/c4-3-1-2-3;1-2/h1-2H2;2H,73.84966999999999,42.15533,
1397,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:2][C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2","InChI=1S/C4H5NO/c5-3-1-2-4-6/h6H,1-2H2",59.3607,33.69388,
1398,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:5]1=[N:6][C:2]12[C:3]([H:8])([H:9])[C:4]2([H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2","InChI=1S/C4H5NO/c6-3-4(5-3)1-2-4/h1-2H2,(H,5,6)",97.81628,38.984390000000005,
1399,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:2]1([N+:6]#[C-:5])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2","InChI=1S/C4H5NO/c1-5-4(6)2-3-4/h6H,2-3H2",56.45073000000001,20.102510000000002,
1400,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C@:2]1([C+:5]=[N:6][H:8])[C-:3]([H:9])[C:4]1([H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2","InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h1,5-6H,2H2/t4-/m1/s1",128.98982,82.32041,
1401,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[C:2]1([C:5]#[N:6])=[C:3]([H:9])[C:4]1([H:10])[H:11].[O:1]([H:7])[H:8],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2","InChI=1S/C4H3N.H2O/c5-3-4-1-2-4;/h1H,2H2;1H2",82.69491,36.10715,
1402,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])/[C:4](=[C:5](/[O:6][H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-4(6)2-3-5/h2-3,5H,1H3/b3-2+",58.19325,2.11583,ketoenol
1403,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:12])([H:7])([H:8])[H:9].[C:4](=[C:5]=[O:6])([H:10])[H:11],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C2H4O.C2H2O/c2*1-2-3/h2H,1H3;1H2",68.49481,20.53705,
1404,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2]#[O+:3].[C:1]([O:6][C:5](=[C:4]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C3H6O.CO/c1-3-4-2;1-2/h3H,1H2,2H3;",101.8392,21.4847,
1405,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@:2]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])[O:3]1,"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m1/s1",101.2085,28.47308,
1406,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[C:2](=[O:3])=[C:4]([C:5](=[O:6])[H:12])[H:10],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3",InChI=1S/C3H2O2.CH4/c4-2-1-3-5;/h1-2H;1H4,81.50673,14.064429999999998,
1407,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]12[O:3][C:5]([H:12])([C:4]1([H:10])[H:11])[O:6]2)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-4-2-3(5-4)6-4/h3H,2H2,1H3",70.80221999999999,60.329530000000005,
1408,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O+:3]=[C-:2][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-6-4-2-3-5/h3H,2H2,1H3",112.77945,66.92642,
1409,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:4]([C:2](=[O:3])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3",92.97724000000001,6.617789999999999,
1410,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([O:3][H:12])=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C3H6O.CO/c1-3(2)4;1-2/h4H,1H2,2H3;",42.26556,6.1961,
1411,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:4]([C:2](=[O:3])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3",92.31754000000001,5.3800300000000005,
1412,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:3][C@:5]1([H:12])[C:4]([H:10])([H:11])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-2-5-4-3-6-4/h4H,3H2,1H3/t4-/m0/s1",114.46951999999999,83.4434,
1413,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:8])[H:9].[C:4](=[C:5]([O:6][H:7])[H:12])([H:10])[H:11],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C2H4O.C2H2O/c2*1-2-3/h2-3H,1H2;1H2",55.57424,29.83397,Retroene
1414,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:5](=[O:6])[H:12])=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-4(2)6-3-5/h3H,1H2,2H3",54.36886,3.03757,ketoenol
1415,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([C:5][O:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-4(6)2-3-5/h5H,2H2,1H3",74.53376999999999,49.4504,
1416,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[O:3][C@:5]([O:6][H:7])([H:12])[C:4]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h4-5H,1-2H2/t4-/m1/s1",64.18728,21.70456,
1417,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:11])=[C:4](/[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-4(6)2-3-5/h2-3,6H,1H3/b4-2-",55.0452,3.83225,ketoenol
1418,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:7])([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2",95.47287,8.11556,
1419,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[O:6][C:5](=[C:4]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3",56.142990000000005,1.33044,ketoenol
1420,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([O+:6]=[C-:5][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-4(5)3-6-2/h2H,3H2,1H3",115.5877,66.61816999999999,
1421,[C:1](#[C:2][C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[C:1](=[C:2])([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C5H7N/c1-2-3-6-4-5-6/h1H,3-5H2","InChI=1S/C5H7N/c1-2-3-6-4-5-6/h2H,3-5H2",63.342819999999996,47.700540000000004,Singlet_Carbene_Intra_Disproportionation
1422,[C:1](#[C:2][C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[C:1]1([H:7])([H:11])[C:2][C:3]([H:8])([H:9])[N:4]2[C@@:5]1([H:10])[C:6]2([H:12])[H:13],"InChI=1S/C5H7N/c1-2-3-6-4-5-6/h1H,3-5H2","InChI=1S/C5H7N/c1-2-5-4-6(5)3-1/h5H,2-4H2/t5-,6?/m1/s1",70.87057,34.8545,
1423,[C:1](#[C:2][C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[C:1](=[C:2]=[C:3]([H:8])[H:9])([H:7])[H:11].[N:4]1=[C:5]([H:10])[C:6]1([H:12])[H:13],"InChI=1S/C5H7N/c1-2-3-6-4-5-6/h1H,3-5H2","InChI=1S/C3H4.C2H3N/c1-3-2;1-2-3-1/h1-2H2;1H,2H2",53.668240000000004,18.670360000000002,Retroene
1424,[C:1](#[C:2][C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[C:1](#[C:2][C:3]([N+:4]([C-:5]([H:10])[H:11])=[C:6]([H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C5H7N/c1-2-3-6-4-5-6/h1H,3-5H2","InChI=1S/C5H7N/c1-4-5-6(2)3/h1H,2-3,5H2",49.56563,25.78596,
1425,[C:1](#[C:2][C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[C:1](/[C:2](=[C:3](\[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:9])[H:7],"InChI=1S/C5H7N/c1-2-3-6-4-5-6/h1H,3-5H2","InChI=1S/C5H7N/c1-2-3-6-4-5-6/h1-3H,4-5H2/b3-2-",66.57432,45.45195,
1426,[C:1](#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[C:1]1([H:6])=[C:2]=[C:3]([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],"InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2","InChI=1S/C5H6/c1-2-4-5-3-1/h1,5H,2,4H2",76.74365,34.20749,
1427,[C:1](#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[C+:1](=[C:2]=[C-:3][C:4]([C:5]([H:7])([H:10])[H:11])([H:8])[H:9])[H:6],"InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2","InChI=1S/C5H6/c1-3-5-4-2/h1H,4H2,2H3",64.83216999999999,56.05933,
1428,[C:1](#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[C-:1](=[C:2]1[C+:3]([H:7])[C:5]([H:10])([H:11])[C:4]1([H:8])[H:9])[H:6],"InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2","InChI=1S/C5H6/c1-5-3-2-4-5/h1,3H,2,4H2",71.58749,61.22705,
1429,[C:1](#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[C:1](=[C:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])([H:6])[H:7],"InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2","InChI=1S/C5H6/c1-2-5-3-4-5/h1,3-4H2",90.8157,6.949039999999999,
1430,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])[H:8].[O:3]([H:9])[H:11],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H6O.H2O/c1-3-4(2)5;/h3H,1H2,2H3;1H2",68.69308000000001,15.57368,"1,3_Insertion_ROR"
1431,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:11])([H:10])[H:12])([H:7])([H:8])[H:9].[C:4](=[O:5])=[C:6]([H:13])[H:14],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C2H6O.C2H2O/c2*1-2-3/h3H,2H2,1H3;1H2",86.15585,27.84641,
1432,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:11])[H:10])([H:7])[H:8].[C:4](=[O:5])([C:6]([H:12])([H:13])[H:14])[H:9],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/2C2H4O/c2*1-2-3/h2H,1H3;2-3H,1H2",79.15699000000001,27.426209999999998,
1433,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:5]/[C:4](=[C:2](/[O:3][H:11])[H:10])[C:6]([H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h3,5H,1-2H3/b4-3+",101.69669,27.69701,ketoenol
1434,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C+:2]([O:3][H:11])=[C:4]([O-:5])[C:6]([H:12])([H:13])[H:14].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C3H4O2.CH4/c1-3(5)2-4;/h1H3,(H-,4,5);1H4",79.42286999999999,65.22166,
1435,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C-:4]=[O+:5][C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h4-5H,1-2H3/t4-/m1/s1",113.87881999999999,67.81328,
1436,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:4]([C:2](=[O:3])[H:10])([O:5][H:11])[C:6]([H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3",48.27708,4.3985,
1437,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([O:5][H:11])[C:6]([H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O2/c1-3-4(2,5)6-3/h3,5H,1-2H3/t3-,4-/m1/s1",52.5143,18.408929999999998,
1438,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:11])[H:10])([H:7])[H:8].[C:4](=[O:5])=[C:6]([H:13])[H:14].[H:9][H:12],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C2H4O.C2H2O.H2/c2*1-2-3;/h2-3H,1H2;1H2;1H",108.38944,54.90112,
1439,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:10])=[C:4](/[O:5][H:11])[C:6]([H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O2/c1-3(5)4(2)6/h5-6H,1-2H3/b4-3-",66.67156999999999,9.51445,ketoenol
1440,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:12])=[C:6]([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O2/c1-3(5)4(2)6/h4-6H,1H2,2H3/t4-/m1/s1",67.21591,14.11175,ketoenol
1441,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C:2]([C:5]([N+:4](=[C-:3][H:9])[H:11])=[O:6])([H:8])[H:10])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c1-4-3(6)2-5/h1,4-5H,2H2",83.77399,43.32868,
1442,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C:5]([N:4]([C:3]([C:2][H:8])([H:9])[H:10])[H:11])=[O:6])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c1-2-4-3(5)6/h1,4H,2H2,(H,5,6)",76.23143,64.70009,
1443,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C:5]([C@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]1[H:11])=[O:6])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c5-3(6)2-1-4-2/h2,4H,1H2,(H,5,6)/t2-/m0/s1",93.87738,2.42404,
1444,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]1[C@@:2](/[C:5](=[N:4]/[H:11])[O:6][H:7])([H:8])[C:3]1([H:9])[H:10],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m0/s1",77.03582,14.58665,
1445,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C@@:2]1([H:8])[C:5]([N:4]([C-:3]([H:9])[H:10])[H:11])=[O+:6]1)[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c1-4-2-3(5)6-2/h3-5H,1H2/t3-/m1/s1",94.01599,79.96748000000001,
1446,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O+:1](=[C-:2][C:3]([N:4]([C:5](=[O:6])[H:8])[H:11])([H:9])[H:10])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h3,5H,1H2,(H,4,6)",79.85694000000001,42.44154,
1447,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[N:4](=[C:5]=[O:6])[H:11].[O:1]([C:2](=[C:3]([H:9])[H:10])[H:8])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2-3H,1H2;2H",52.45056999999999,1.3276,
1448,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[C:3](=[N:4][H:11])([H:9])[H:10].[O:1]([C:2](=[C:5]=[O:6])[H:8])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C2H2O2.CH3N/c3-1-2-4;1-2/h1,3H;2H,1H2",67.49861999999999,44.52908,
1449,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:11])([C:5]1=[N:4][O:6]1)[H:8])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c1-2(5)3-4-6-3/h2,5H,1H3/t2-/m0/s1",81.7485,67.80147,
1450,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[C+:2]1=[C:5]([O-:6])[N:4]([H:11])[C:3]1([H:9])[H:10].[O:1]([H:7])[H:8],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H3NO.H2O/c5-3-1-2-4-3;/h4H,2H2;1H2",81.28814,54.993430000000004,
1451,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C:2](=[C:5]([N:4]([C+:3]([H:9])[H:10])[H:11])[O-:6])[H:8])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2,4H,1H2,(H-,5,6)",48.06935,45.745909999999995,
1452,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C:2]([C:3]([N:4]=[C:5]=[O:6])([H:9])[H:10])([H:8])[H:11])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h5H,1-2H2",94.58994,-8.13359,
1453,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[C-:5]#[O+:6].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]1[H:11])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C2H5NO.CO/c4-2-1-3-2;1-2/h2-4H,1H2;/t2-;/m0./s1",88.30516999999999,22.4023,
1454,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]=[C:5]1[O:6][H:11])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1",63.23105,16.295720000000003,ketoenol
1455,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O+:1](=[C:2]=[C:5]([N:4]([C:3]([H:8])([H:9])[H:10])[H:11])[O-:6])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c1-4-3(6)2-5/h4,6H,1H3",64.95091,42.6928,
1456,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C:2]1=[C:5]([O:6][H:8])[N:4]([H:11])[C:3]1([H:9])[H:10])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h4-6H,1H2",89.67186,32.75224,ketoenol
1457,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[C-:5]#[O+:6].[O:1]([C:2](/[C:3](=[N:4]/[H:11])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C2H5NO.CO/c3-1-2-4;1-2/h1,3-4H,2H2;/b3-1+;",83.47487,10.56731,
1458,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@@:4]([O:3][H:7])([C:5]#[N:6])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-2-4(6)3-5/h2,4,6H,1H2/t4-/m1/s1",62.0712,-5.98895,
1459,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C+:4]=[C:5]=[N-:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-4(6)2-3-5/h4,6H,1H3/t4-/m1/s1",68.28745,59.4095,
1460,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([O:3][C@:4]([C:2][H:10])([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-4(3-5)6-2/h1,4H,2H3/t4-/m1/s1",116.18562,85.00831,
1461,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([N+:6]#[C-:5])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-3-4(5-2)6-3/h3-4H,1H3/t3-,4-/m1/s1",57.320040000000006,19.562160000000002,
1462,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:4]([O:3][H:10])([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-2-4(6)3-5/h4,6H,1H3/t4-/m1/s1",72.3057,60.194019999999995,
1463,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][C@:4]1([H:11])[C:5]([H:7])=[N:6]1)[H:10])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-2-6-4-3-5-4/h2-4H,1H2/t4-/m1/s1",92.20087,37.41271,
1464,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]1=[C:5]=[N:6][H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3,5H,1H3/t3-/m1/s1",105.35101,37.14908,
1465,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:7])([H:10])[O:3][C:4]([H:11])=[C:5]=[N:6]1,"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-3-6-4-2-5-1/h4H,1,3H2",97.39725,47.64598,
1466,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][C:5]#[N:6])([C:4][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-4(2)6-3-5/h1,4H,2H3/t4-/m0/s1",99.23291,91.79466,
1467,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][C:4](=[C:5]=[N:6][H:7])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-2-6-4-3-5/h2,4-5H,1H2",63.44268,27.96756,
1468,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][N:6]=[C:5]=[C:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2,4H,1H3/t4-/m1/s1",112.2212,90.56138,
1469,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])=[C:5]=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h3-4H,1H3/t4-/m1/s1",95.02082,56.40661,
1470,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:3]=[C:4]=[C:5]=[N-:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-2-6-4-3-5/h2H2,1H3",75.6016,38.206720000000004,
1471,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:3][C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-2-6-4-3-5/h4H2,1H3",78.42499000000001,40.54142,
1472,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O+:3][C:4](=[C:5]=[N-:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-2-6-4-3-5/h2,4H,1H3",55.21515,39.77169,
1473,[C:1]([C:2]#[C:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][O+:5]=[C-:4][N:6]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H3,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-6-4-5/h5H2,1H3",98.21344,61.2298,
1474,[C:1]([C:2]#[C:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]1[C:4](=[O:5])[N:6]1[H:11])([H:7])[H:8].[H:9][H:10],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H3,(H2,5,6)","InChI=1S/C4H3NO.H2/c1-2-3-4(6)5-3;/h1H2,(H,5,6);1H",114.34613,71.34170999999999,
1475,[C:1]([C:2]#[C:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]([C:4](=[O:5])[N:6]([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H3,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6/h3H,1H2,(H2,5,6)",76.97811,-1.59249,
1476,[C:1]([C:2]#[C:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]#[C:4][N:6]([H:10])[H:11])=[O:5])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H3,(H2,5,6)","InChI=1S/C4H5NO/c1-4(6)2-3-5/h5H2,1H3",77.55655,15.278529999999998,
1477,[C:1]([C:2]#[C:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:11])([H:7])([H:8])[H:9].[C:4](=[O:5])=[N:6][H:10],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H3,(H2,5,6)","InChI=1S/C3H4.CHNO/c1-3-2;2-1-3/h1H,2H3;2H",68.50435999999999,11.67297,
1478,[C:1]([C:2]#[C:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([C+:3]=[C:4]([O-:5])[N:6]([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H3,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6/h2H,1,5H2",76.91919,53.65015,
1479,[C:1]([C:2]#[C:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H3,(H2,5,6)","InChI=1S/C4H5NO/c1-3(2)4(5)6/h1H3,(H2,5,6)",50.80335,49.33354,
1480,[C:1]([C:2]#[C:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]=[C:4]([O:5][H:9])[N:6]([H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H3,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6/h6H,1,5H2",52.735440000000004,29.053290000000004,
1481,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:3]([C:6][H:16])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10/c1-5-3-4-6(5)2/h1,5-6H,3-4H2,2H3/t5-,6-/m1/s1",126.0717,65.00644,
1482,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:12])[H:13])[H:11])([C:6](=[C:5]([H:14])[H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10/c1-4-6(3)5-2/h4-6H,1-2H2,3H3",84.07313,-9.544039999999999,
1483,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:6]1([H:16])[C:3]([H:11])=[C:4]([H:12])[C:5]1([H:14])[H:15])([H:9])[H:10])([H:7])([H:8])[H:13],"InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10/c1-2-6-4-3-5-6/h3-4,6H,2,5H2,1H3/t6-/m0/s1",97.64626,-3.33089,
1484,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1([H:11])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10/c1-6-4-2-3-5-6/h6H,2-4H2,1H3/t6-/m1/s1",62.280159999999995,40.63261,
1485,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:15])([H:11])[C@:6]1([C:5][H:14])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10/c1-4-5(2)6(4)3/h1,4-6H,2-3H3/t4-,5+,6-",81.44503,64.42385,
1486,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:13])[C@:6]1([C:5]([C:4][H:12])([H:14])[H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10/c1-3-6-4-5(6)2/h1,5-6H,3-4H2,2H3/t5-,6+/m0/s1",81.86623,74.52790999999999,
1487,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:6]1([H:16])[C:3][C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10/c1-2-6-4-3-5-6/h6H,2-4H2,1H3/t6-/m1/s1",67.33671,63.76611,
1488,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:6](/[C:3]1([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10/c1-2-3-6-4-5-6/h2-3,6H,4-5H2,1H3/b3-2+",83.57797,-7.61415,
1489,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:6]1([H:16])[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]21[H:15])([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10/c1-2-4-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6+",110.0193,9.9978,
1490,[N:1]#[C:2][C:3]([C:4]#[N:5])([H:6])[H:7],[N+:1](#[C-:2])[C:3]([C:4]#[N:5])([H:6])[H:7],InChI=1S/C3H2N2/c4-2-1-3-5/h1H2,InChI=1S/C3H2N2/c1-5-3-2-4/h3H2,60.731019999999994,23.91358,
1491,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]=[C:2]1[C:3]([H:7])=[C:4]([H:9])[C:5]([H:8])([H:10])[C:6]1([H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2",71.44013000000001,-3.56999,
1492,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]1[C@:2]2([C:3]1([H:7])[H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]2([H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c1-2-5(3-1)4-6-5/h1-2H,3-4H2/t5-/m1/s1",117.25746000000001,52.029920000000004,
1493,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]([C+:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C-:5][C:6]1([H:11])[H:12])[H:10],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,6H,3-4H2",116.24138,89.79898,
1494,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]1[C:2](=[C:6]([H:11])[H:12])[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]1[H:10],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2,4H,1,3H2",116.58408,17.6882,ketoenol
1495,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5][C:6]1([H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3-4H2",69.89229,69.67251,Singlet_Carbene_Intra_Disproportionation
1496,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@:4]1([C:5](=[C:6]([H:11])[H:12])[H:10])[H:9],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c1-2-4-3-5(4)6/h2,4H,1,3H2/t4-/m1/s1",70.66431999999999,40.74776,
1497,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]=[C:2]=[C:6](/[C:5](=[C:4](\[C:3]([H:7])([H:8])[H:12])[H:9])[H:10])[H:11],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c1-2-3-4-5-6/h2-4H,1H3/b3-2-",71.05285,17.57604,
1498,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]([C:2]1=[C:6]([H:11])[C:5]([H:10])=[C:4]([H:9])[C:3]1([H:7])[H:8])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-3,6H,4H2",71.35345,9.160210000000001,ketoenol
1499,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]=[C:2](/[C:6](=[C:5](\[C:4](=[C:3]([H:7])[H:8])[H:9])[H:10])[H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3-",71.04906,22.66789,
1500,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[H:7][H:12].[O:1]=[C:2]1[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])=[C:6]1[H:11],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2",InChI=1S/C5H4O.H2/c6-5-3-1-2-4-5;/h1-4H;1H,68.54505,34.29759,
1501,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:3]([C@:4]1([H:12])[C:2][C:6]([H:15])([H:16])[C:5]1([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-2-6-4-3-5-6/h6H,2-4H2,1H3/t6-/m0/s1",101.55753,66.92215,
1502,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([C:6]([H:9])([H:15])[H:16])([H:13])[H:14])[H:12])([H:7])[H:8],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-3-6-4-5(6)2/h6H,2-4H2,1H3/t6-/m1/s1",103.66882,5.90871,
1503,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:6]([H:14])([H:15])[H:16])[C:3]([H:10])([H:11])[C@:4]1([C:5][H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-5-4-6(5,2)3/h1,5H,4H2,2-3H3/t5-/m1/s1",82.14133000000001,62.36152,
1504,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:11])[C:6]([C:4](=[C:5]([H:13])[H:14])[H:12])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H3",78.15616999999999,-10.24531,
1505,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:6]([C:5]([H:12])([H:13])[H:14])([H:15])[H:16])[C:3]([H:10])([H:11])[C:4]1)([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-3-6(2)4-5-6/h3-4H2,1-2H3/t6-/m0/s1",78.69694,66.84121999999999,
1506,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C@:4]([C:3][H:10])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-5-3-4-6(5)2/h1,5-6H,3-4H2,2H3/t5-,6-/m0/s1",67.3057,67.94454,
1507,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3][H:11])[C:4]([H:10])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-6(2)4-3-5-6/h1H,3-5H2,2H3",66.28158,65.94466,
1508,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-2-3-6-4-5-6/h6H,3-5H2,1H3",77.60103000000001,66.92916,
1509,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2][C:4]1([H:12])[C:3]([H:10])([H:11])[C:6]([H:15])([H:16])[C:5]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-2-6-4-3-5-6/h6H,3-5H2,1H3",123.02502,62.61578000000001,
1510,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2][C:6]([C:5]([C:4](=[C:3]([H:10])[H:11])[H:12])([H:13])[H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-3-5-6-4-2/h3H,1,5-6H2,2H3",71.36176,60.66834,
1511,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:6][H:15])[C:3]([H:10])([H:11])[C@:4]1([C:5]([H:13])([H:14])[H:16])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-5-4-6(5,2)3/h2,5H,4H2,1,3H3/t5-,6-/m1/s1",82.18276,64.29868,
1512,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])([H:11])[C:4]([H:9])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])[H:8],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1",InChI=1S/C6H10/c1-6-4-2-3-5-6/h1-5H2,81.8594,-24.4317,
1513,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([C:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-3-6(2)4-5-6/h1H,3-5H2,2H3",77.74438,77.51549,
1514,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C:3]([H:10])=[C:4]([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1",67.18799,-24.74085,
1515,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3",66.63382,-28.02328,
1516,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:15])[C:3]([H:10])([H:11])[C@:4]1([C:5]([C:6][H:16])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-3-6-4-5(6)2/h1,5-6H,3-4H2,2H3/t5-,6-/m1/s1",83.35024,76.56668,
1517,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:12])[C:3]([H:10])([H:11])[C:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h6H,2,4-5H2,1H3/t6-/m1/s1",61.842,41.11357,
1518,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-6(2)4-3-5-6/h3-4H2,1-2H3",66.09510999999999,63.78839,
1519,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C@:4]([C:3][H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h1,4-5H,3H2,2H3/t4-,5+/m0/s1",68.39878,68.2148,
1520,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C-:5]=[O+:6]2)([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H6O.H2/c1-5-2-4(5)3-6-5;/h4H,2H2,1H3;1H/t4-,5-;/m0./s1",86.84531,69.46604,
1521,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:11])[O:6][C:5]([C:4][H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-4-6-5(2)3/h1H,2,4H2,3H3",76.84683000000001,61.76023000000001,
1522,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:3][H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-5(2)3-4-6-5/h1H,3-4H2,2H3/t5-/m1/s1",64.31059,61.550169999999994,
1523,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1=[O+:6][C:5]([H:13])([H:14])[C@@:4]1([C-:3][H:11])[H:12],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H4O.CH4/c1-4-2-5-3-4;/h1,4H,2H2;1H4/t4-;/m0./s1",125.39967,125.655,
1524,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@@:4]1([H:12])[C:3]([H:10])([H:11])[C-:2]=[O+:6][C:5]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h5H,2,4H2,1H3/t5-/m0/s1",88.12815,10.399469999999999,
1525,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]1([O:6][H:14])[C:3]([H:10])([H:11])[C@:4]1([C:5][H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-4-3-5(4,2)6/h1,4,6H,3H2,2H3/t4-,5+/m1/s1",72.74868000000001,55.78549,
1526,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1=[O+:6][C-:5]([H:14])[C@@:4]1([C:3]([H:10])([H:11])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h3-4H,1-2H3/t4-/m0/s1",83.11783,42.90187,
1527,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:3]([C:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-3-5(2)4-6-5/h1H,3-4H2,2H3/t5-/m0/s1",73.59505,72.70817,
1528,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2][C:4]1([H:12])[C:3]([H:10])([H:11])[O:6][C:5]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h5H,3-4H2,1H3",116.66916,63.78293000000001,
1529,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1([O+:6]=[C-:5][H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-5(6-2)3-4-5/h2H,3-4H2,1H3",82.56751,44.23446,
1530,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:5]([H:13])[H:14])[H:12])([H:10])[H:11])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3",37.37443,-33.25908,
1531,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:12])[C:3]([H:10])([H:11])[C:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,3-4H2,1H3/t5-/m0/s1",62.079390000000004,36.5058,
1532,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([O:6][C:5]([C@@:4]1([H:12])[C:2][C:3]1([H:10])[H:11])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-6-4-5-2-3-5/h5H,2,4H2,1H3/t5-/m1/s1",120.43751,72.38373,
1533,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-5(2)3-4-6-5/h4H2,1-2H3",61.295280000000005,56.413959999999996,
1534,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:10])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h3H,2,4H2,1H3",63.94838000000001,-32.82562,
1535,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:11])[C@:4]1([C:5]([O:6][H:10])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-4-2-5(4)3-6/h2,5-6H,3H2,1H3/t5-/m0/s1",66.60899,9.41993,
1536,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3][C:5]([H:15])([H:16])[H:17])([H:9])[H:10])([H:6])([H:7])[H:8].[C:4]([H:11])([H:12])([H:13])[H:14],"InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3","InChI=1S/C4H8.CH4/c1-3-4-2;/h3H2,1-2H3;1H4",91.78927,85.84295999999999,
1537,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:6])[H:7].[C:3]([C:4]([H:12])([H:13])[H:14])(=[C:5]([H:16])[H:17])[H:11].[H:8][H:15],"InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3","InChI=1S/C3H6.C2H4.H2/c1-3-2;1-2;/h3H,1H2,2H3;1-2H2;1H",97.20770999999999,54.14959,
1538,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([H:9])([H:10])[H:11])([H:6])([H:7])[H:8].[C:3]([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17],"InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3",InChI=1S/C3H6.C2H6/c1-3-2;1-2/h1-2H3;1-2H3,91.92945999999999,89.18111,
1539,[C:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2](=[C:3]=[O:4])[H:8])([H:5])([H:6])[H:7].[H:9][H:10],"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3","InChI=1S/C3H4O.H2/c1-2-3-4;/h2H,1H3;1H",76.76845,27.894509999999997,
1540,[C:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C-:3]#[O+:4].[C:1]([C:2]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7],"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3",InChI=1S/C2H6.CO/c2*1-2/h1-2H3;,86.51853,-1.9974900000000002,"1,2_Insertion_CO"
1541,[C:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([H:5])([H:6])([H:7])[H:9].[C:2](=[C:3]=[O:4])([H:8])[H:10],"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3",InChI=1S/C2H2O.CH4/c1-2-3;/h1H2;1H4,88.40051,13.703629999999999,
1542,[C:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([O:4][C:3](=[C:2]([H:8])[H:9])[H:10])([H:5])([H:6])[H:7],"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3","InChI=1S/C3H6O/c1-3-4-2/h3H,1H2,2H3",98.49951,19.23224,ketoenol
1543,[C:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2]([H:6])([H:8])[H:9])([O+:4]=[C-:3][H:10])([H:5])[H:7],"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3","InChI=1S/C3H6O/c1-3-4-2/h2H,3H2,1H3",116.02399,67.03658,
1544,[C:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C-:1]([O+:4]=[C:3]([C:2]([H:6])([H:8])[H:9])[H:10])([H:5])[H:7],"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3","InChI=1S/C3H6O/c1-3-4-2/h3H,2H2,1H3",106.67183,70.77601999999999,
1545,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[C:5]([H:12])[H:13].[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[O:6]1)\[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C3H5NO.CH2/c4-3-1-2-5-3;/h4H,1-2H2;1H2/b4-3-;",140.25286,128.39012,
1546,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[C:4]([C:5](=[O:6])[H:12])([H:10])([H:11])[H:13].[N:1](=[C:2]=[C:3]([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C2H3N.C2H4O/c2*1-2-3/h3H,1H2;2H,1H3",106.17764,35.2072,
1547,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1](=[C:2](/[C:3]([H:8])([H:9])[H:11])[O:6][C:5]([C:4][H:10])([H:12])[H:13])\[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c1-3-6-4(2)5/h1,5H,3H2,2H3/b5-4-",100.38065,96.9859,
1548,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1](=[C:2](/[O:6][C:5]([C:4](=[C:3]([H:8])[H:9])[H:11])([H:12])[H:13])[H:10])\[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c1-2-3-6-4-5/h2,4-5H,1,3H2/b5-4+",112.56978000000001,26.27412,
1549,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[C:3](=[C:4]([H:10])[H:11])([H:8])[H:9].[C:5](=[O:6])([H:12])[H:13].[N:1](=[C:2])[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-",InChI=1S/C2H4.CHN.CH2O/c3*1-2/h1-2H2;2H;1H2,101.48818,67.82999000000001,
1550,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1]([C:2]1=[O+:6][C-:5]([H:13])[C:4]([H:10])([H:11])[C:3]1([H:8])[H:9])([H:7])[H:12],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h3H,1-2,5H2",108.85627,63.4282,
1551,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1]1([H:7])[C:2]([O:6][C:5]([C:4]([H:9])([H:10])[H:11])([H:12])[H:13])=[C:3]1[H:8],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c1-2-6-4-3-5-4/h3,5H,2H2,1H3",96.6327,85.04459,
1552,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[H:9][H:12].[N:1](=[C:2]=[C:3]([C:4]([C:5](=[O:6])[H:13])([H:10])[H:11])[H:8])[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H5NO.H2/c5-3-1-2-4-6;/h1,4-5H,2H2;1H",94.04881999999999,47.03165,
1553,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1](=[C:2]=[C:3]([C:4]([C:5]([O:6][H:9])([H:12])[H:13])([H:10])[H:11])[H:8])[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c5-3-1-2-4-6/h1,5-6H,2,4H2",84.06724,29.98028,
1554,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1]1([H:7])[C:2](=[O:6])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)",92.83686,-15.97359,ketoenol
1555,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1](=[C:2](/[C:3]([C:4]([H:10])([H:11])[H:13])([H:8])[H:9])[O+:6]=[C-:5][H:12])\[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c1-3-4(5)6-2/h2,5H,3H2,1H3/b5-4-",89.82429,75.86039,
1556,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[H:12][H:13].[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C-:5]=[O+:6]1)\[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H5NO.H2/c5-4-2-1-3-6-4;/h5H,1-2H2;1H/b5-4-;",88.06747,71.69277,
1557,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1]1([H:7])[C:2](=[C:3]([H:8])[H:9])[O:6][C:5]([H:12])([H:13])[C:4]1([H:10])[H:11],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h5H,1-3H2",110.52153999999999,18.42145,
1558,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[C:5](=[O:6])([H:12])[H:13].[N:1]1([H:7])[C:2][C:3]([H:8])([H:9])[C:4]1([H:10])[H:11],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C3H5N.CH2O/c1-2-4-3-1;1-2/h4H,1-2H2;1H2",136.58033,88.12193,
1559,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1]#[C:2][C:3]([C:4]([C:5]([O:6][H:7])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2",66.64915,5.8459,
1560,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[C:3](=[C:4]([C:5]([H:10])([H:12])[H:13])[H:11])([H:8])[H:9].[N:1](=[C:2]=[O:6])[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C3H6.CHNO/c1-3-2;2-1-3/h3H,1H2,2H3;2H",79.73392,6.76032,
1561,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[H:8][H:11].[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5]([H:12])([H:13])[O:6]1)\[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H5NO.H2/c5-4-2-1-3-6-4;/h1-2,5H,3H2;1H/b5-4-;",107.92286999999999,26.590009999999996,
1562,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1]([C:2]1=[C:3]([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])[H:8],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h2H,1,3,5H2",71.39724,11.31356,
1563,[C:1]([C:2]([O:3][C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C-:4]#[O+:5].[C:1]([C:2](=[O:3])[H:9])([H:6])([H:7])[H:8].[H:10][H:11],"InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3","InChI=1S/C2H4O.CO.H2/c1-2-3;1-2;/h2H,1H3;;1H",72.62009,27.943479999999997,
1564,[C:1]([C:2]([O:3][C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([O+:3]=[C-:4][O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3","InChI=1S/C3H6O2/c1-2-5-3-4/h4H,2H2,1H3",76.43547,43.20117,
1565,[C:1]([C:2]([O:3][C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C-:2](=[O+:3][C:4](=[O:5])[H:11])[H:9].[C:1]([H:6])([H:7])([H:8])[H:10],"InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3",InChI=1S/C2H2O2.CH4/c1-4-2-3;/h1-2H;1H4,92.43087,82.32151,
1566,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([C:4]([H:12])([H:13])[H:14])[O:5][H:15])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]([H:9])[H:10])[O:5][H:15])([H:6])([H:7])[H:8].[C:4]([H:11])([H:12])([H:13])[H:14],"InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3","InChI=1S/C3H6O.CH4/c1-3(2)4;/h4H,1H2,2H3;1H4",105.45048999999999,14.80856,
1567,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([C:4]([H:12])([H:13])[H:14])[O:5][H:15])([H:6])([H:7])[H:8],[C:1]([C:2]([C:4]([H:12])([H:13])[H:14])=[O:5])([C:3]([H:9])([H:10])[H:11])([H:6])[H:8].[H:7][H:15],"InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3","InChI=1S/C4H8O.H2/c1-3-4(2)5;/h3H2,1-2H3;1H",107.21416,17.62724,
1568,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([C:4]([H:12])([H:13])[H:14])[O:5][H:15])([H:6])([H:7])[H:8],[C:1](=[C:2]([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[H:14])([H:6])[H:8].[O:5]([H:7])[H:15],"InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3","InChI=1S/C4H8.H2O/c1-4(2)3;/h1H2,2-3H3;1H2",64.45051,13.85501,"1,3_Insertion_ROR"
1569,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[N+:2]1[C:3]([H:9])([H:10])[N:4]=[C:5]([H:11])[N-:6]1)([H:7])[H:8],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2H,1,3H2",105.36413999999999,43.080709999999996,
1570,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[N:4]1[C:5]([H:11])=[N:6]1)[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-4-2-6-3-5-6/h2-3H,1H3/b4-2+",99.46171,79.39968,
1571,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:3]1([H:10])[N:2]=[N:6][C:5]([H:11])=[N:4]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-3-4-2-5-6-3/h2-3H,1H3/t3-/m1/s1",65.28671999999999,24.96828,
1572,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[N+:2]1[C:3]([H:10])=[N:4][C:5]([H:9])([H:11])[N-:6]1)([H:7])[H:8],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h3H,1-2H2",112.23621000000001,54.81373000000001,
1573,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]1[C:5]([H:11])=[N:6]1)([H:7])([H:8])[H:9].[C:3](#[N:4])[H:10],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C2H4N2.CHN/c1-4-2-3-4;1-2/h2H,1H3;1H",117.13861999999999,86.59286999999999,
1574,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])=[N+:4]=[C-:5][N:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h3,5H,1H3",81.65357,54.7028,
1575,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]([N:6]=[C:5]([N+:4]#[C-:3])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-4-3-6-5-2/h3,5H,2H3",90.4692,48.30802,
1576,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[N:4][H:10])([H:7])([H:8])[H:9].[C:5](#[N:6])[H:11],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C2H4N2.CHN/c1-4-2-3;1-2/h3H,1H3;1H",112.14983000000001,22.70265,
1577,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C-:1]([n+:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H2,(H,4,5)",72.43589,60.98575,
1578,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N-:2][N+:6]#[C:5][H:11])([H:7])([H:8])[H:9].[C:3](#[N:4])[H:10],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C2H4N2.CHN/c1-3-4-2;1-2/h1H,2H3;1H",95.05821999999999,77.8334,
1579,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([n+:2]1[c:3]([H:10])[n:4]([H:11])[c-:5][n:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H4N3/c1-6-3-4-2-5-6/h3H,1H3/q-1/p+1",85.95293000000001,46.96922,
1580,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]([N:4]=[C:5]=[N:6][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-5-3-6-2-4/h3-4H,1H3",85.28256,14.61594,
1581,[O:1]([C@:2]1([H:8])[C@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2)[H:7],[O:1]([C@@:2]1([H:8])[C@@:3]([O:6][H:10])([H:9])[C:4]([H:11])=[C:5]1[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2/t2-,3+,4+","InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h1-6H/t3-,4-/m1/s1",72.63471,-27.681240000000003,
1582,[O:1]([C@:2]1([H:8])[C@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2)[H:7],[O:1]([C@@:2]([C:3](=[C:4]([H:10])[H:11])[H:9])([C:5](=[O:6])[H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2/t2-,3+,4+","InChI=1S/C4H6O2/c1-2-4(6)3-5/h2-4,6H,1H2/t4-/m0/s1",40.56443,-41.677,
1583,[O:1]([C@:2]1([H:8])[C@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2)[H:7],[O:1]([C@@:2]1([H:8])[C@:3]([C:4]([H:10])([H:11])[H:12])([H:9])[O+:6]=[C-:5]1)[H:7],"InChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2/t2-,3+,4+","InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3-5H,1H3/t3-,4-/m1/s1",65.21898,11.52201,
1584,[O:1]([C@:2]1([H:8])[C@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2)[H:7],[O:1]([C@@:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:6]1)([C:5][H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2/t2-,3+,4+","InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h1,3-5H,2H2/t3-,4-/m1/s1",90.08225,56.8571,
1585,[O:1]([C@:2]1([H:8])[C@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2)[H:7],[O:1]([C:2]([C@:5]1([H:12])[C:4]([H:10])([H:11])[C-:3]=[O+:6]1)([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2/t2-,3+,4+","InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h4-5H,1,3H2/t4-/m0/s1",61.14046999999999,13.857870000000002,
1586,[O:1]([C@:2]1([H:8])[C@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2)[H:7],[O:1](/[C:2](=[C:5](/[C:4]([C:3](=[O:6])[H:9])([H:10])[H:11])[H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2/t2-,3+,4+","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1,3-5H,2H2/b3-1+",49.37077,-47.36425,
1587,[O:1]([C@:2]1([H:8])[C@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2)[H:7],[C:2]1[C@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2.[O:1]([H:7])[H:8],"InChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2/t2-,3+,4+","InChI=1S/C4H4O.H2O/c1-3-2-4(1)5-3;/h3-4H,1H2;1H2/t3-,4+;",78.7535,65.66291,
1588,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C-:5]=[N+:6]=[C:4]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H9N/c1-3-4-5-6-2/h2-4H2,1H3",107.85941000000001,53.60468,
1589,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[C:3]([C:4]([H:13])([H:14])[H:15])(=[C:5]=[N:6][H:8])[H:12],"InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C3H5N.C2H4/c1-2-3-4;1-2/h2,4H,1H3;1-2H2",69.27011999999999,48.7894,Retroene
1590,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([N+:6]#[C-:5])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H9N/c1-4-5(2)6-3/h5H,4H2,1-2H3/t5-/m1/s1",58.68866,21.08556,
1591,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])/[C:5]1=[N:6]/[H:8],"InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H9N/c1-4-2-3-5(4)6/h4,6H,2-3H2,1H3/b6-5+/t4-/m1/s1",100.35746999999999,20.67401,
1592,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C+:3]=[C:5]=[N-:6])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C4H5N.CH4/c1-2-3-4-5;/h2H2,1H3;1H4",91.16131999999999,89.38342,
1593,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:9])([H:10])[H:11])([N:6]=[C:5]=[C:3]([C:4]([H:13])([H:14])[H:15])[H:12])([H:7])[H:8],"InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H9N/c1-3-5-6-4-2/h3H,4H2,1-2H3",100.93466,29.69343,
1594,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:5]1=[N:6][C:4]1([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H9N/c1-2-3-5-4-6-5/h2-4H2,1H3",107.82862,39.80105,
1595,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5][N:6]1[H:8],"InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H9N/c1-5-2-3-6-4-5/h5-6H,2-3H2,1H3/t5-/m1/s1",96.45326,43.59732,
1596,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]1=[C:4]=[C:5]([O:6][H:7])[H:10],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2","InChI=1S/C4H4O2/c5-2-1-4-3-6-4/h2,5H,3H2",58.864369999999994,22.80733,
1597,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2","InChI=1S/C4H4O2/c1-4(2-5)3-6/h2,6H,3H2",50.77134,47.564409999999995,
1598,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C:4]=[C:5]=[O:6])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2","InChI=1S/C4H4O2/c5-3-1-2-4-6/h1,5H,3H2",73.97933,-1.85445,
1599,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]=[C:4]([C:5](=[O:6])[H:10])[H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2","InChI=1S/C4H4O2/c5-3-1-2-4-6/h1,3-4,6H",66.27498,-7.8594800000000005,
1600,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[H:8][H:10].[O:1]([C:2](=[C:3]=[C:4]=[C:5]=[O:6])[H:9])[H:7],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2","InChI=1S/C4H2O2.H2/c5-3-1-2-4-6;/h3,5H;1H",67.47073,33.043040000000005,
1601,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]=[C:4]=[C:5]([O:6][H:8])[H:10])[H:9])[H:7],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2",InChI=1S/C4H4O2/c5-3-1-2-4-6/h3-6H,59.63966,12.09425,
1602,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:3]1=[C:4]=[C:5]([H:10])[O:6][C:2]1([H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2","InChI=1S/C4H4O2/c5-4-1-2-6-3-4/h2,5H,3H2",87.62935,14.07606,
1603,[O:1]=[C:2]([O:3][C:4]([C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C-:5]=[N+:6]1[H:7],"InChI=1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2","InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h4H,2H2",83.9622,19.75763,
1604,[O:1]=[C:2]([O:3][C:4]([C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]=[C:2]([O:3][C:4]([N+:6]#[C-:5])([H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2","InChI=1S/C3H3NO2/c1-4-2-6-3-5/h3H,2H2",57.48001,19.951320000000003,
1605,[O:1]=[C:2]([O:3][C:4]([C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]=[C:5]1[C:4]([H:8])([H:9])[O:3][C:2]([H:7])=[N:6]1,"InChI=1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2","InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h2H,1H2",120.40133999999999,-4.38793,
1606,[O:1]=[C:2]([O:3][C:4]([C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C-:2]=[O+:3][C:4]([C:5]#[N:6])([H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2","InChI=1S/C3H3NO2/c4-1-2-6-3-5/h5H,2H2",77.00225,43.04746,
1607,[O:1]=[C:2]([O:3][C:4]([C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C:2](=[O:3])[H:7])[C:5]1=[N:6][C:4]1([H:8])[H:9],"InChI=1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2","InChI=1S/C3H3NO2/c5-2-6-3-1-4-3/h2H,1H2",72.8615,38.961870000000005,
1608,[O:1]=[C:2]([O:3][C:4]([C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C:2](=[O:3])[H:7])[N:6]=[C:5]=[C:4]([H:8])[H:9],"InChI=1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2","InChI=1S/C3H3NO2/c1-2-4-6-3-5/h3H,1H2",82.22894000000001,57.547340000000005,
1609,[O:1]=[C:2]([O:3][C:4]([C:5]#[N:6])([H:8])[H:9])[H:7],[C:5]=[N:6][H:9].[o+:1]1[c-:2]([H:7])[o:3][c:4]1[H:8],"InChI=1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2",InChI=1S/C2H2O2.CHN/c1-3-2-4-1;1-2/h1-2H;2H,106.89976999999999,108.90823999999999,
1610,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([O:3][C:5](=[O:6])[H:11])=[C:4]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2H,1,4H2",48.58099,17.80495,ketoenol
1611,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C:2](=[O:3])=[C:4]([H:9])[H:10].[N:1]([C:5](=[O:6])[H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C2H2O.CH3NO/c1-2-3;2-1-3/h1H2;1H,(H2,2,3)",60.2376,20.08073,
1612,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C-:2]=[O+:3][C@@:5]1([H:11])[C:4]([H:9])([H:10])[O:6]1)([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO2/c4-2-6-3-1-5-3/h3H,1,4H2/t3-/m0/s1",106.88174,70.18984,
1613,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:4]([O+:6]=[C-:5][H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO2/c1-6-2-3(4)5/h1H,2H2,(H2,4,5)",111.57096000000001,69.22237,
1614,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])/[C:4](=[C:5](/[O:6][H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO2/c4-3(6)1-2-5/h1-2,5H,(H2,4,6)/b2-1+",60.01784,3.7082300000000004,ketoenol
1615,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1](/[C:2]([O:3][H:10])=[C:4](/[C:5](=[O:6])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO2/c4-3(6)1-2-5/h1-2,6H,4H2/b3-1-",53.02724,12.48837,ketoenol
1616,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])[O:6][C:5](=[C:4]([H:9])[H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO2/c1-2-6-3(4)5/h2H,1H2,(H2,4,5)",67.4315,2.4208,ketoenol
1617,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C:4]([C:5](=[O:6])[H:11])([H:7])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2H,1H3;2H",77.82484000000001,9.704419999999999,
1618,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C-:5]#[O+:6].[N:1]([C:2]([O:3][H:11])=[C:4]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C2H5NO.CO/c1-2(3)4;1-2/h4H,1,3H2;",46.00882,19.39872,
1619,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:5]([C:4]([H:9])([H:10])[H:11])=[O:6])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)",75.44636,-6.774560000000001,
1620,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C:4](=[C:5]([O:6][H:7])[H:11])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2-3H,1H2;2H",41.6374,19.03691,Retroene
1621,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C-:2]=[O+:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1H,2,4H2",105.19321000000001,52.06385,
1622,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C:2](=[O:3])=[C:4]([C:5](=[O:6])[H:11])[H:9].[N:1]([H:7])([H:8])[H:10],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)",InChI=1S/C3H2O2.H3N/c4-2-1-3-5;/h1-2H;1H3,65.79498000000001,27.750840000000004,"1,3_NH3_elimination"
1623,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[H:8][H:10].[N:1](=[C:2]1\[O:3][C@:4]1([C:5](=[O:6])[H:11])[H:9])\[H:7],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H3NO2.H2/c4-3-2(1-5)6-3;/h1-2,4H;1H/b4-3-;/t2-;/m0./s1",109.82308,68.43567,
1624,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C@@:2]1([O+:6]=[C-:5][H:11])[O:3][C:4]1([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO2/c1-5-3(4)2-6-3/h1H,2,4H2/t3-/m0/s1",127.49693,100.50596999999999,
1625,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C:2]([O-:3])=[C+:4][C:5]([O:6][H:9])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c4-3(6)1-2-5/h5H,2,4H2",71.63962,63.57751,
1626,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[H:7][H:8].[N:1]1=[C:2]([C@@:4]2([H:9])[C:5]([H:10])([H:11])[O:6]2)[O:3]1,"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H3NO2.H2/c1-2(5-1)3-4-6-3;/h2H,1H2;1H/t2-;/m1./s1",117.61788,111.43348999999999,
1627,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1](=[C:2](/[O:3][H:7])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1",46.17013,12.39879,ketoenol
1628,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C:2](=[O:3])[C:4]([O+:6]=[C-:5][H:10])([H:9])[H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c1-6-2-3(4)5/h1H,2H2,(H2,4,5)",78.48598,49.41424,
1629,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C:2](=[O:3])[C@@:4]([C:5][H:11])([O:6][H:10])[H:9])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1-2,5H,(H2,4,6)/t2-/m1/s1",74.84514,71.57853,
1630,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C:2]([O-:3])=[C:4]=[O+:6][C:5]([H:9])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c1-6-2-3(4)5/h4H2,1H3",78.55904,45.51133,
1631,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C-:2]=[O+:3][C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c4-2-6-3-1-5-3/h3H,1,4H2/t3-/m0/s1",98.15318,48.31075,
1632,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C:2](=[O+:3][O-:6])[C:4](=[C:5]([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c1-2-3(4)6-5/h2H,1,4H2",123.49632,84.83839,
1633,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[C:2](=[O:3])=[C:4]1[C:5]([H:10])([H:11])[O:6]1.[N:1]([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1",InChI=1S/C3H2O2.H3N/c4-1-3-2-5-3;/h2H2;1H3,87.13587,61.09219,"1,3_NH3_elimination"
1634,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C:2]([O-:3])=[C:4]([O+:6]=[C:5]([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c1-6-2-3(4)5/h2H,1,4H2",66.71985,50.50442,
1635,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C@@:2]1([O:3][H:11])[C@:4]2([H:9])[C@@:5]1([H:10])[O:6]2)([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c4-3(5)1-2(3)6-1/h1-2,5H,4H2/t1-,2+,3+",86.34559,59.978640000000006,
1636,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[H:7][H:9].[N:1](=[C:2]1\[O:3][C@:4]12[C:5]([H:10])([H:11])[O:6]2)\[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H3NO2.H2/c4-2-3(6-2)1-5-3;/h4H,1H2;1H/b4-2-;/t3-;/m1./s1",98.03439,71.15796999999999,
1637,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C@@:2]1([C:4](=[O:6])[H:9])[O:3][C:5]1([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c4-3(1-5)2-6-3/h1H,2,4H2/t3-/m0/s1",65.27611999999999,19.10484,
1638,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C-:2]([O:3][H:10])[C@@:4]1([H:9])[C:5]([H:11])=[O+:6]1)([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h1-2,5H,4H2/t2-/m1/s1",108.94531,78.94185,
1639,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1](/[C:2]([O:3][H:9])=[C:4]1/[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h5H,1,4H2/b3-2+",66.89448,39.71753,ketoenol
1640,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C:1]1([H:6])=[C:2]=[C:3]([H:7])[C:4]([H:8])([H:9])[O:5]1,"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-2-4-5-3-1/h1,4H,3H2",67.17323,14.605720000000002,
1641,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C:1](#[C:2][C:3](=[O+:5][C-:4]([H:8])[H:9])[H:7])[H:6],"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-3-4-5-2/h1,4H,2H2",59.6564,44.86695,
1642,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C:1](#[C:2][C:3]([C:4](=[O:5])[H:8])([H:7])[H:9])[H:6],"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-2-3-4-5/h1,4H,3H2",60.609480000000005,-23.75455,
1643,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C:1](#[C:2][C:3]([O+:5]=[C-:4][H:9])([H:7])[H:8])[H:6],"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-3-4-5-2/h1-2H,4H2",81.3701,48.87324,
1644,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C:1](#[C:2][C-:3]=[O+:5][C:4]([H:7])([H:8])[H:9])[H:6],"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-3-4-5-2/h1H,2H3",73.38408000000001,34.31836,
1645,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C:1](=[C:2]=[C:3]1[C:4]([H:8])([H:9])[O:5]1)([H:6])[H:7],"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-2-4-3-5-4/h1,3H2",84.50135,6.30527,
1646,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C:1](#[C:2][C@@:3]([C:4][H:9])([O:5][H:8])[H:7])[H:6],"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-3-4(2)5/h1-2,4-5H/t4-/m1/s1",73.35003,69.17667,
1647,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C+:1](=[C:2]=[C-:3][C:4]([O:5][H:7])([H:8])[H:9])[H:6],"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-2-3-4-5/h1,5H,4H2",66.1321,46.72014,
1648,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C:1](=[C:2])([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-2-4-3-5-4/h2,4H,3H2/t4-/m0/s1",57.124109999999995,48.56103,Singlet_Carbene_Intra_Disproportionation
1649,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C:1](/[C:2](=[C:3]1/[C:4]([H:8])([H:9])[O:5]1)[H:7])[H:6],"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-2-4-3-5-4/h1-2H,3H2/b4-2-",79.51861,56.36949,
1650,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[N:5](=[C:6]([H:11])[H:12])[H:10].[O:1]([N:2]=[C:3]=[C:4]([H:8])[H:9])[H:7],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C2H3NO.CH3N/c1-2-3-4;1-2/h4H,1H2;2H,1H2",69.46919,23.38932,
1651,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[H:8][H:11].[O:1]([N-:2][C:3]1=[C:4]([H:9])[N:5]([H:10])[C+:6]1[H:12])[H:7],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H4N2O.H2/c6-5-3-1-4-2-3;/h1-2,4,6H;1H",84.1201,73.80468,
1652,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]([N:2]1[C:3](=[C:6]([H:11])[H:12])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:7],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H6N2O/c1-3-2-4-5(3)6/h4,6H,1-2H2",78.41450999999999,25.22756,
1653,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[O-:1][N:2]([C+:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4-5H,1-2H2",54.50618000000001,17.64262,
1654,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]([C:3]1([N:2])[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H6N2O/c4-3(6)1-5-2-3/h5-6H,1-2H2",67.67067,60.01412,
1655,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[O-:1][N:2]=[C:3]1[C:4]([H:8])([H:9])[N+:5]([H:7])([H:10])[C:6]1([H:11])[H:12],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2",72.64514,49.458420000000004,
1656,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[O-:1][N+:2]#[C:3][C:4]([N:5]([C:6]([H:7])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H6N2O/c1-4-2-3-5-6/h4H,2H2,1H3",67.53659,2.98083,
1657,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]=[N:2][C:3]1([H:7])[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h3-4H,1-2H2",75.3478,13.65613,ketoenol
1658,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1](/[N:2]=[C:3](/[C:4]([N:5]([C:6][H:12])[H:10])([H:8])[H:9])[H:11])[H:7],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H6N2O/c1-4-2-3-5-6/h1,3-4,6H,2H2/b5-3+",70.9682,31.66095,
1659,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N+:5]([H:10])([H:12])[C-:6]1[H:11])[H:7],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h1,6H,2,4H2",67.24976,42.88782,
1660,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]([N:2]([C:3]1=[C:6]([H:12])[N:5]([H:10])[C:4]1([H:8])[H:9])[H:11])[H:7],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h1,4-6H,2H2",80.76635999999999,17.674129999999998,
1661,[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12],[C:1](=[O:2])([H:7])[H:8].[C:3]1([H:9])=[C:6]([H:12])[O:5][C:4]1([H:10])[H:11],"InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C3H4O.CH2O/c1-2-4-3-1;1-2/h1-2H,3H2;1H2",70.40934,11.20812,2+2_cycloaddition
1662,[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12],[C:1]([O:2][H:12])([C:6]1=[C:3]([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8],"InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h1,5H,2-3H2",120.09903,-9.10635,
1663,[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[O+:2]=[C-:3][C:4]([H:10])([H:11])[O:5][C:6]1([H:9])[H:12],"InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1",InChI=1S/C4H6O2/c1-2-6-4-3-5-1/h1-3H2,72.65925,20.34375,
1664,[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[O:2][C@:3]([C:4]([O:5][H:12])([H:10])[H:11])([H:9])[C:6]1,"InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h4-5H,2-3H2/t4-/m1/s1",72.37550999999999,58.63097,
1665,[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C-:4]=[O+:5][C@@:6]12[H:12].[H:10][H:11],"InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H4O2.H2/c1-3-4(5-1)2-6-3;/h3-4H,1H2;1H/t3-,4-;/m0./s1",89.25368,73.66613000000001,
1666,[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[O+:2]=[C-:3][C@:6]1([O:5][C:4]([H:9])([H:10])[H:11])[H:12],"InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c1-5-4-2-6-3-4/h4H,2H2,1H3/t4-/m0/s1",73.8369,41.19778,
1667,[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])=[C:6]([H:12])[O:5][C:4]1([H:10])[H:11],"InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c1-2-6-4-3-5-1/h1-2H,3-4H2",122.60588999999999,-26.91703,
1668,[O:1]([C:2]([C:3](=[O:4])[H:8])([H:6])[H:7])[H:5],[C-:3]#[O+:4].[O:1]([C:2]([H:6])([H:7])[H:8])[H:5],"InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2","InChI=1S/CH4O.CO/c2*1-2/h2H,1H3;",86.00003000000001,1.4509299999999998,"1,2_Insertion_CO"
1669,[O:1]([C:2]([C:3](=[O:4])[H:8])([H:6])[H:7])[H:5],[O:1](/[C:2](=[C:3](\[O:4][H:5])[H:8])[H:7])[H:6],"InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2",InChI=1S/C2H4O2/c3-1-2-4/h1-4H/b2-1-,66.67192,6.91635,ketoenol
1670,[O:1]([C:2]([C:3](=[O:4])[H:8])([H:6])[H:7])[H:5],[H:5][H:6].[O:1]=[C:2]([C:3](=[O:4])[H:8])[H:7],"InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2",InChI=1S/C2H2O2.H2/c3-1-2-4;/h1-2H;1H,96.7759,30.37257,
1671,[O:1]([C:2]([C:3](=[O:4])[H:8])([H:6])[H:7])[H:5],[O:1]1[C:2]([H:6])([H:7])[C@@:3]1([O:4][H:5])[H:8],"InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2","InChI=1S/C2H4O2/c3-2-1-4-2/h2-3H,1H2/t2-/m1/s1",58.88751,17.73648,
1672,[O:1]([C:2]([C:3](=[O:4])[H:8])([H:6])[H:7])[H:5],[O:1]([O:4][C:3](=[C:2]([H:6])[H:7])[H:8])[H:5],"InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2","InChI=1S/C2H4O2/c1-2-4-3/h2-3H,1H2",122.93493000000001,65.3781,ketoenol
1673,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]([C@@:2]([C:3]([O:4][H:11])([H:9])[H:10])([C:5]#[N:6])[H:8])[H:7],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m1/s1",65.54275,-9.08948,
1674,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]([N:6]([C:5]1=[C:2]([H:8])[C:3]([H:9])([H:10])[O:4]1)[H:11])[H:7],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c5-4-3-1-2-6-3/h1,4-5H,2H2",108.43595,54.70576,
1675,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]([C:2](/[C:5]([O+:4]=[C-:3][H:9])=[N:6]/[H:11])([H:8])[H:10])[H:7],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c1-6-3(4)2-5/h1,4-5H,2H2/b4-3-",80.23853000000001,54.4398,
1676,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O-:1][C@@:2]1([H:8])[C:3]([H:9])([H:10])[O+:4]=[C:5]1[N:6]([H:7])[H:11],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2H,1,4H2/t2-/m0/s1",39.127179999999996,34.81454,
1677,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]=[C:2](/[C:5]([O:4][C:3]([H:7])([H:9])[H:10])=[N:6]/[H:11])[H:8],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c1-6-3(4)2-5/h2,4H,1H3/b4-3-",77.74784,-1.75974,
1678,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[C:2]1([H:8])=[C:3]([H:9])[O:4]/[C:5]1=[N:6]\[H:11].[O:1]([H:7])[H:10],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H3NO.H2O/c4-3-1-2-5-3;/h1-2,4H;1H2/b4-3-;",80.82685,22.4142,"1,3_Insertion_ROR"
1679,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]([C:2]([C:3]([O:4][H:8])([H:9])[H:10])=[C:5]=[N:6][H:11])[H:7],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c4-1-3(6)2-5/h4-6H,2H2",86.13582,18.169220000000003,
1680,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]=[C:2]([C:3]([O:4]/[C:5](=[N:6]\[H:11])[H:7])([H:9])[H:10])[H:8],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3-",78.99353,-1.70835,
1681,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]([C:2]/[C:5]([O:4][C:3]([H:8])([H:9])[H:10])=[N:6]/[H:11])[H:7],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c1-6-3(4)2-5/h4-5H,1H3/b4-3-",67.69135,44.76253,
1682,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[C@:2]1([C:5]#[N:6])([H:8])[C:3]([H:9])([H:10])[O:4]1.[O:1]([H:7])[H:11],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H3NO.H2O/c4-1-3-2-5-3;/h3H,2H2;1H2/t3-;/m0./s1",88.1687,14.09503,
1683,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[C:3](=[O:4])([H:9])[H:10].[O:1]([C:2](=[C:5]=[N:6][H:11])[H:8])[H:7],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1",InChI=1S/C2H3NO.CH2O/c3-1-2-4;1-2/h2-4H;1H2,63.54538,35.71561,2+2_cycloaddition
1684,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]([C:2](=[C:3]([H:9])[H:10])[H:8])[H:7].[O:4]=[C:5]=[N:6][H:11],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2-3H,1H2;2H",48.17763,-13.919360000000001,2+2_cycloaddition
1685,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C-:3]([H:9])[O+:4]=[C:5]1[N:6]([H:10])[H:11])[H:7],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h1-2,5H,4H2/t2-/m0/s1",98.6087,55.572140000000005,
1686,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H3NO2.H2/c4-3-2(5)1-6-3;/h4H,1H2;1H/b4-3-;",89.84528,20.24759,
1687,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]3([H:9])[N:4]([H:10])[C@@:5]2([H:11])[C@:6]13[H:12],[N+:1]12([H:7])[C@:2]3([H:8])[C-:3]1[C@@:6]2([H:12])[C@:5]3([N:4]([H:9])[H:10])[H:11],"InChI=1S/C4H6N2/c5-1-2-4(5)3(1)6-2/h1-6H/t1-,2-,3+,4+","InChI=1S/C4H6N2/c5-1-2-4-3(1)6(2)4/h1-3,6H,5H2/t1-,2-,3+",69.00686,24.523020000000002,
1688,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]3([H:9])[N:4]([H:10])[C@@:5]2([H:11])[C@:6]13[H:12],[N+:1]1([H:7])([H:11])[C@@:2]2([H:8])[C@:3]3([H:9])[N:4]([H:10])[C-:5]2[C@:6]13[H:12],"InChI=1S/C4H6N2/c5-1-2-4(5)3(1)6-2/h1-6H/t1-,2-,3+,4+","InChI=1S/C4H5N2/c5-1-2-4(5)3(1)6-2/h1-3,5-6H/q-1/p+1/t1-,2-,3+",78.86211,60.192440000000005,
1689,[N:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:10])[H:9])([H:7])[H:8],[N:1](=[C:2]=[O:3])[H:8].[O:4]=[C:5]([N:6]([H:7])[H:10])[H:9],"InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h1,3H,(H2,4,5)/b3-1+","InChI=1S/CH3NO.CHNO/c2*2-1-3/h1H,(H2,2,3);2H",15.01476,-1.29302,Retroene
1690,[N:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:10])[H:9])([H:7])[H:8],[N:1]([C:2](=[O:3])[O:4][C-:5]=[N+:6]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h1,3H,(H2,4,5)/b3-1+","InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h3H2,(H2,4,5)",83.3487,26.818959999999997,
1691,[N:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:10])[H:9])([H:7])[H:8],[N:1](=[C:2](/[O:3][H:7])[O:4]/[C:5](=[N:6]/[H:10])[H:9])\[H:8],"InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h1,3H,(H2,4,5)/b3-1+","InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h1,3H,(H2,4,5)/b3-1+",49.88604,16.685370000000002,ketoenol
1692,[N:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:10])[H:9])([H:7])[H:8],[C-:2]#[O+:3].[N:1]([N:6]([C:5](=[O:4])[H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h1,3H,(H2,4,5)/b3-1+","InChI=1S/CH4N2O.CO/c2-3-1-4;1-2/h1H,2H2,(H,3,4);",134.48756,36.63321,
1693,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1](=[C:2]=[C:3]1[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])[H:8],"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,3-4H2",72.65013,-4.47288,
1694,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1](/[C:2](=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:8])[H:7],"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1-2H,3-4H2/b5-2-",64.9772,43.07643,
1695,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1](=[C:2])([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-5-3-4-6-5/h2,5H,3-4H2/t5-/m0/s1",60.41396999999999,47.95815,Singlet_Carbene_Intra_Disproportionation
1696,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1](=[C:2]=[C:3]([C:4]([C:5](=[O:6])[H:12])([H:9])[H:10])[H:8])([H:7])[H:11],"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h3,5H,1,4H2",68.11401,-24.5829,
1697,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1](#[C:2]/[C:3](=[C:4](\[C:5]([O:6][H:9])([H:11])[H:12])[H:10])[H:8])[H:7],"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h1,3-4,6H,5H2/b4-3-",91.3357,-11.89276,
1698,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1](#[C:2][C:3](=[O:6])[H:8])[H:7].[C:4](=[C:5]([H:11])[H:12])([H:9])[H:10],"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C3H2O.C2H4/c1-2-3-4;1-2/h1,3H;1-2H2",65.62868,5.98307,2+2_cycloaddition
1699,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1](#[C:2][C@@:3]([C:4](=[C:5]([H:11])[H:12])[H:10])([O:6][H:9])[H:8])[H:7],"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-3-5(6)4-2/h1,4-6H,2H2/t5-/m0/s1",91.32758000000001,-6.7546,
1700,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:10])=[C:5]([H:12])[O:6]1)[H:7].[H:9][H:11],"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H4O.H2/c1-2-5-3-4-6-5;/h1,3-5H;1H/t5-;/m0./s1",120.12563999999999,33.9744,
1701,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1]1([H:7])=[C:2]=[C:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-4-6-5-3-1/h1,5H,2,4H2",61.69396,6.22478,
1702,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1](#[C:2][H:9])[H:7].[C:3]1([H:8])=[C:4]([H:10])[C:5]([H:11])([H:12])[O:6]1,"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C3H4O.C2H2/c1-2-4-3-1;1-2/h1-2H,3H2;1-2H",120.33586000000001,27.904040000000002,
1703,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:5]([C:4][H:13])([H:14])[H:15])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10/c1-4-5(2)3/h1,5H,4H2,2-3H3",82.94532,78.25166999999999,
1704,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:9].[C:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15],"InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3",InChI=1S/C4H6.CH4/c1-2-4-3-1;/h1-3H2;1H4,94.30094,85.94409,
1705,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8].[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13],"InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C3H6.C2H4/c1-3-2;1-2/h3H,1H2,2H3;1-2H2",99.41767,19.84295,
1706,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:6])([H:7])[H:8],[C:1]([C:2][C:3]([C:4]([C:5]([H:9])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10/c1-3-5-4-2/h3,5H2,1-2H3",79.1849,63.827459999999995,
1707,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:6])([H:7])[H:8],[C:1](=[C:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:7])[H:8].[H:6][H:9],"InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3",InChI=1S/C5H8.H2/c1-5-3-2-4-5;/h1-4H2;1H,119.8417,30.317490000000003,
1708,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:6])([H:7])[H:8],[C:1]([C:2][H:9])([H:6])([H:7])[H:8].[C:3]1([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15],"InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C3H6.C2H4/c1-2-3-1;1-2/h1-3H2;1H,2H3",113.03081,102.54078,
1709,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:6])([H:7])[H:8],[C:1](=[C:2]([C:3]1([H:10])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])[H:9])([H:7])[H:8].[H:6][H:11],"InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C5H8.H2/c1-2-5-3-4-5;/h2,5H,1,3-4H2;1H",113.84353,31.525840000000002,
1710,[O:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C:4])[C:5]#[N:6])([H:8])[H:9])[H:7],"InChI=1S/C4H3NO/c5-3-1-2-4-6/h6H,4H2","InChI=1S/C4H3NO/c1-4(2-5)3-6/h6H,3H2",53.73061,53.300819999999995,
1711,[O:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C-:4])[N+:6]#[C:5])([H:8])[H:9])[H:7],"InChI=1S/C4H3NO/c5-3-1-2-4-6/h6H,4H2","InChI=1S/C4H3NO/c1-4(3-6)5-2/h6H,3H2",93.41101,79.07455999999999,
1712,[O:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]#[C:4][N+:6]#[C-:5])([H:8])[H:9])[H:7],"InChI=1S/C4H3NO/c5-3-1-2-4-6/h6H,4H2","InChI=1S/C4H3NO/c1-5-3-2-4-6/h6H,4H2",62.46626,27.02698,
1713,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[C:6]([H:13])[H:14].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5]1)[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C3H6O2.CH2/c4-3-1-2-5-3;/h3-4H,1-2H2;1H2/t3-;/m1./s1",119.97273999999999,120.49546000000001,
1714,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]=[C:2]([C:6]([O:5][C:4]([C:3]([H:7])([H:9])[H:10])([H:11])[H:12])([H:13])[H:14])[H:8],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3",82.81559,8.17906,
1715,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([O:5][C:6]([H:11])([H:13])[H:14])[H:12])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m0/s1",124.46603999999999,30.38472,
1716,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[C:2]1([H:8])=[C:6]([H:13])[O:5][C:4]([H:11])([H:12])[C:3]1([H:9])[H:10].[O:1]([H:7])[H:14],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O.H2O/c1-2-4-5-3-1;/h1,3H,2,4H2;1H2",70.07058,8.482,"1,3_Insertion_ROR"
1717,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]=[C:2]([C:3]([C:4]([O:5][C:6]([H:7])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3",82.06781,8.786489999999999,
1718,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[H:11][H:12].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C-:4]=[O+:5][C:6]1([H:13])[H:14])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O2.H2/c5-4-1-2-6-3-4;/h4-5H,1,3H2;1H/t4-;/m0./s1",84.61508,64.52074,
1719,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]([C:2][C:6]([O:5][C:4]([C:3]([H:8])([H:9])[H:10])([H:11])[H:12])([H:13])[H:14])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h5H,2,4H2,1H3",78.35965,55.25779,
1720,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[C:2]1([H:8])=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14].[O:1]([H:7])[H:9],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O.H2O/c1-2-4-5-3-1;/h1-2H,3-4H2;1H2",66.30552,11.957930000000001,"1,3_Insertion_ROR"
1721,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]1[C@:2]([C:3]([C:4]([O:5][H:7])([H:11])[H:12])([H:9])[H:10])([H:8])[C:6]1([H:13])[H:14],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1",79.62507,17.81486,
1722,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[C@@:2]12([H:8])[C:3]([H:9])([H:10])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14].[O:1]([H:7])[H:11],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O.H2O/c1-3-2-5-4(1)3;/h3-4H,1-2H2;1H2/t3-,4-;/m0./s1",103.78196,40.93477,
1723,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]([C:2]([C:3]([C:4]([O+:5]=[C-:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:8])[H:14])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h1,5H,2-4H2",83.84300999999999,66.97548,
1724,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]([C:2]([C:3](=[C:4]([H:11])[H:12])[H:10])([H:8])[H:9])[H:7].[O:5]=[C:6]([H:13])[H:14],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2,4H,1,3H2;1H2",94.78633,27.181790000000003,
1725,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[H:7][H:10].[O:1]=[C:2]([C:3]1([H:9])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:8],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O2.H2/c5-1-4-2-6-3-4;/h1,4H,2-3H2;1H",115.10723,38.401,
1726,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[H:12][H:13].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C-:4]([H:11])[O+:5]=[C:6]1[H:14])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O2.H2/c5-4-1-2-6-3-4;/h2-5H,1H2;1H/t4-;/m0./s1",83.12619000000001,78.53435999999999,
1727,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:12])([C:6]([O+:5]=[C-:4][H:11])([H:13])[H:14])[H:8])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h2,4-5H,3H2,1H3/t4-/m0/s1",83.45201999999999,59.14289,
1728,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[C:4](=[O:5])([H:11])[H:12].[O:1]([C:2](=[C:3]([H:9])[H:10])[C:6]([H:8])([H:13])[H:14])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C3H6O.CH2O/c1-3(2)4;1-2/h4H,1H2,2H3;1H2",83.39325,17.78107,
1729,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]([C:2][C:3]([C:4]([O:5][C:6]([H:8])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h5H,2,4H2,1H3",82.0274,60.992180000000005,
1730,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]1[C@@:2]([C:6]([O:5][H:7])([H:13])[H:14])([H:8])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m0/s1",90.71023000000001,14.99908,
1731,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]([C:3]([C:4]([O:5][C:6]([C:2][H:8])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h1,5H,2-4H2",117.0432,96.13432,
1732,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[H:7][H:11].[O:1]=[C:2]([C:6]([O:5][C:4](=[C:3]([H:9])[H:10])[H:12])([H:13])[H:14])[H:8],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O2.H2/c1-2-6-4-3-5;/h2-3H,1,4H2;1H",77.62392,34.92001,
1733,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1](/[C:2](=[C:3](\[C:4]([H:9])([H:11])[H:12])[H:10])[H:8])[H:7].[O:5]=[C:6]([H:13])[H:14],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2-4H,1H3;1H2/b3-2-;",86.49069,20.52495,
1734,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]([C-:2]([C:3]([C:4](=[O+:5][C:6]([H:12])([H:13])[H:14])[H:11])([H:9])[H:10])[H:8])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h3-5H,2H2,1H3",121.22004,90.47191,
1735,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[C:2]1[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14].[O:1]([H:7])[H:8],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O.H2O/c1-2-4-5-3-1;/h1,3-4H2;1H2",76.2483,75.41383,
1736,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])[H:9].[H:8][H:11],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO.H2/c1-6-3-4-2-5-4;/h3-5H,1-2H2;1H/t4-;/m1./s1",83.39418,82.31506,
1737,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]([H:10])[H:12])[H:11])([H:7])([H:8])[H:9].[C:5](=[N:6][H:15])([H:13])[H:14],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH3N/c1-3-4-2;1-2/h3H,1H2,2H3;2H,1H2",82.18281999999999,7.13175,
1738,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](/[C:4](=[N:6]/[C:5]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H9NO/c1-5-3-4-6-2/h3H,4H2,1-2H3/b5-3+",65.20623,-8.68627,
1739,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:12])([H:7])([H:8])[H:9].[C:3](=[C:4]1[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H5N.CH4O/c1-3-2-4-3;1-2/h4H,1-2H2;2H,1H3",80.24294,20.684070000000002,"1,3_Insertion_ROR"
1740,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C@@:4]1([H:12])[C-:5]([H:13])[N+:6]1([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h2,4H,3,5H2,1H3/t4-/m1/s1",65.49439,52.98214,
1741,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4][N:6]([C:5]([H:12])([H:13])[H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H9NO/c1-5-3-4-6-2/h5H,4H2,1-2H3",71.91306,19.35434,
1742,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C-:4]1[C:5]([H:13])([H:14])[N+:6]1([H:12])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h2-3,5H2,1H3",62.2632,48.25338,
1743,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([N:6]([C:5][H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H9NO/c1-5-3-4-6-2/h1,5H,3-4H2,2H3",72.72610999999999,28.30382,
1744,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C+:4]([N:6]([C-:5]([H:13])[H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H9NO/c1-5-3-4-6-2/h3,5H,1,4H2,2H3",51.61437,26.99574,
1745,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],[N+:1](#[C-:2])[C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2","InChI=1S/C5H7N/c1-6-5-3-2-4-5/h5H,2-4H2",60.064080000000004,21.27722,
1746,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],[N:1]#[C:2][C@@:3]([C:4]([C:5]([H:10])([H:11])[H:13])([H:8])[H:9])([C:6][H:12])[H:7],"InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2","InChI=1S/C5H7N/c1-3-5(2)4-6/h2,5H,3H2,1H3/t5-/m1/s1",84.08469000000001,79.82599,
1747,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],[N-:1]=[C:2]=[C+:3][C:4]([C:5]([C:6]([H:7])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2","InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H2,1H3",77.00447,64.23886999999999,
1748,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],[N:1]#[C:2][C:3]([C:6]([C:5]([C:4][H:8])([H:10])[H:11])([H:12])[H:13])([H:7])[H:9],"InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2","InChI=1S/C5H7N/c1-2-3-4-5-6/h1H,2-4H2",87.07994000000001,74.4729,
1749,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],[C:5](=[C:6]([H:12])[H:13])([H:10])[H:11].[N:1]#[C:2][C:3](=[C:4]([H:8])[H:9])[H:7],"InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2","InChI=1S/C3H3N.C2H4/c1-2-3-4;1-2/h2H,1H2;1-2H2",89.27868000000001,21.77856,
1750,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],[N:1]1([H:11])[C:2][C@@:3]2([H:7])[C:4]([H:8])([H:9])[C@:5]1([H:10])[C:6]2([H:12])[H:13],"InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2","InChI=1S/C5H7N/c1-4-2-5(1)6-3-4/h4-6H,1-2H2/t4-,5+",108.76151999999999,59.76218000000001,
1751,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],[N:1](=[C:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],"InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2","InChI=1S/C5H7N/c6-4-5-2-1-3-5/h6H,1-3H2",95.24645,26.71595,
1752,[C:1]([n:2]1[n:3][c:4]([H:10])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[N:6][N:5]=[C:4]=[N:3][H:10])([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3","InChI=1S/C2H4N4/c1-4-6-5-2-3/h3H,1H3",85.70711,29.25092,
1753,[C:1]([n:2]1[n:3][c:4]([H:10])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1](=[N+:2]1[N:3]([H:8])[C:4]([H:10])=[N:5][N-:6]1)([H:7])[H:9],"InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3","InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H2,(H,3,4,5)",79.82126,55.78501,
1754,[C:1]([n:2]1[n:3][c:4]([H:10])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]1[N+:3]([H:10])=[C:4]=[N:5][N-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3",InChI=1S/C2H3N4/c1-6-4-2-3-5-6/h1H3/q-1/p+1,85.72895,55.509080000000004,
1755,[C:1]([n:2]1[n:3][c:4]([H:10])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1](=[N:2]/[N:3]=[C:4](\[N:5]=[N:6]\[H:8])[H:10])([H:7])[H:9],"InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3","InChI=1S/C2H4N4/c1-4-6-2-5-3/h2-3H,1H2/b5-3+,6-2-",77.82125,47.87684,
1756,[C:1]([n:2]1[n:3][c:4]([H:10])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[N:3][C:4](=[N+:5]=[N-:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3","InChI=1S/C2H4N4/c1-4-6-2-5-3/h2H,1H3",72.76978000000001,51.057520000000004,
1757,[C:1]([n:2]1[n:3][c:4]([H:10])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([n:3]1[n:2][n:6][n:5][c:4]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3","InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3",72.6603,3.91494,
1758,[C:1]([n:2]1[n:3][c:4]([H:10])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]1[N:3]=[C:4]=[N+:5]([H:10])[N-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3","InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h3H,1H3",85.20054,41.35621,
1759,[C:1]([n:2]1[n:3][c:4]([H:10])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[N+:6]=[N-:5])([H:7])([H:8])[H:9].[N:3]#[C:4][H:10],"InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3",InChI=1S/CH3N3.CHN/c1-3-4-2;1-2/h1H3;1H,67.6812,28.428440000000002,
1760,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[H:7][H:10].[N:1](=[C:2]1[C:3]([H:9])=[N:4][N:5]=[C:6]1[H:11])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H3N3.H2/c4-3-1-5-6-2-3;/h1-2,4H;1H",141.92188000000002,53.2567,
1761,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[C@:6]1(/[N:5]=[N:4]/[H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-2-1-3(2)6-5/h1,3,5H,4H2/b6-5+/t3-/m1/s1",108.4489,69.24338,
1762,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C-:3][N+:4]([H:9])([H:10])[N:5]=[C:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1H,4,6H2",83.30135,70.90465,
1763,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:6]([H:11])[C@:3]1([N:4]([N:5])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-2-1-3(2)6-5/h1,3,6H,4H2/t3-/m1/s1",141.39883,88.44111,
1764,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([C@@:2]1([H:9])[C:3][N:4]([H:10])[N:5]=[C:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1,3,6H,4H2/t3-/m1/s1",61.81159,57.541869999999996,Singlet_Carbene_Intra_Disproportionation
1765,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N+:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c-:6]1)([H:7])([H:8])[H:11],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H4N3/c4-3-1-5-6-2-3/h1H,4H2,(H,5,6)/q-1/p+1",83.51661999999999,80.89959,
1766,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([C+:2][C@@:6]1([H:11])[C:3]([H:9])[N:4]([H:10])[N-:5]1)([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-1-3-2-5-6-3/h2-3,5H,4H2/t3-/m0/s1",124.40931,115.19675,
1767,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N-:4]([N+:5]#[C:6][H:11])[H:10].[N:1]([C:2]#[C:3][H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C2H3N.CH2N2/c1-2-3;1-3-2/h1H,3H2;1-2H",117.27148000000001,98.95987,
1768,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1](=[C:2]1[C+:3]([H:9])[N:4]([H:10])[N-:5][C:6]1([H:7])[H:11])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1,4-5H,2H2",88.60237,41.20254,
1769,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N+:1]([c:2]1[c-:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H4N3/c4-3-1-5-6-2-3/h1H,4H2,(H,5,6)/q-1/p+1",73.06466,63.60431,
1770,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1](=[C:2]1[C-:3]([H:9])[N+:4]([H:8])([H:10])[N:5]=[C:6]1[H:11])[H:7],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2,4H,5H2",135.04818999999998,67.56353,
1771,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]([C:3](=[N:4][H:10])[H:9])=[C:6]=[N:5][H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-1-3(6)2-5/h1,4-5H,6H2",75.27553,25.0463,
1772,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([c:2]1[c+:3]([H:9])[n:4]([H:10])[n:5]([H:11])[c-:6]1)([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1,5-6H,4H2",75.27212,48.96218,
1773,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([C@@:2](/[C:3](=[N:4]/[H:10])[H:9])([C:6]#[N:5])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-1-3(6)2-5/h1,3-4H,6H2/b4-1+/t3-/m0/s1",86.56868,9.20306,
1774,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:6]([H:11])[N:5]=[N:4][C:3]1([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1H,2,4H2",49.03644,21.08951,
1775,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:7])([H:9])[N:4]([H:10])[N:5]=[C:6]1[H:11])\[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1,4,6H,2H2/b4-3+",83.25386,19.412110000000002,
1776,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:6]([H:15])[H:16])[H:10])([H:7])([H:8])[H:9].[C:3](=[C:4]([O:5][H:14])[H:13])([H:11])[H:12],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2-3H,1H2",90.60034,16.677310000000002,
1777,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:15])[C@@:4]([O:5][H:14])([H:13])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10].[H:7][H:16],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C5H8O.H2/c1-4-2-5(6)3-4;/h2,5-6H,3H2,1H3;1H/t5-;/m0./s1",117.38015,31.523809999999997,
1778,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:14])([C:6]([C:4](=[O:5])[H:13])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3",72.11556999999999,-13.12279,
1779,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1[C:3]([H:11])([H:12])[C:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C4H6O.CH4/c5-4-2-1-3-4;/h4-5H,2-3H2;1H4",95.8096,89.36783,
1780,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:6]1([C:4](=[O:5])[H:13])[H:16])([H:7])([H:8])[H:9].[H:14][H:15],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C5H8O.H2/c1-4-2-5(4)3-6;/h3-5H,2H2,1H3;1H/t4-,5+;/m0./s1",100.14194,18.88009,
1781,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[C:4]([O:5][H:14])[H:13],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C4H8.CH2O/c1-4-2-3-4;1-2/h4H,2-3H2,1H3;1-2H",107.42395,79.62578,
1782,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C5H8O.H2/c1-4-2-5(6)3-4;/h4H,2-3H2,1H3;1H",81.7701,12.497539999999999,
1783,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])=[C:4]([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[O:5]([H:11])[H:14],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C5H8.H2O/c1-5-3-2-4-5;/h2-3,5H,4H2,1H3;1H2/t5-;/m0./s1",70.66475,17.75078,"1,3_Insertion_ROR"
1784,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2][C:6]([C@@:4]([C:3]([H:10])([H:11])[H:12])([O:5][H:14])[H:13])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C5H10O/c1-3-4-5(2)6/h5-6H,4H2,1-2H3/t5-/m1/s1",79.87048,64.27835,
1785,[O:1]=[C:2]([C:3]#[C:4][H:6])[H:5],[O+:1]#[C:2][C:3](=[C-:4][H:6])[H:5],"InChI=1S/C3H2O/c1-2-3-4/h1,3H",InChI=1S/C3H2O/c1-2-3-4/h1-2H,63.03655,27.79702,
1786,[O:1]=[C:2]([C:3]#[C:4][H:6])[H:5],[O:1]=[C:2]([C:4](=[C:3])[H:6])[H:5],"InChI=1S/C3H2O/c1-2-3-4/h1,3H",InChI=1S/C3H2O/c1-2-3-4/h2-3H,51.18600000000001,45.48381,Singlet_Carbene_Intra_Disproportionation
1787,[O:1]=[C:2]([C:3]#[C:4][H:6])[H:5],[O:1]=[C:2]=[C:3]=[C:4]([H:5])[H:6],"InChI=1S/C3H2O/c1-2-3-4/h1,3H",InChI=1S/C3H2O/c1-2-3-4/h1H2,77.60225,-2.02984,
1788,[O:1]=[C:2]([C:3]#[C:4][H:6])[H:5],[C:3](#[C:4][H:6])[H:5].[O+:1]#[C-:2],"InChI=1S/C3H2O/c1-2-3-4/h1,3H",InChI=1S/C2H2.CO/c2*1-2/h1-2H;,77.97731,-4.15331,"1,2_Insertion_CO"
1789,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([C@@:3]1([H:8])[C:2][N:6]([H:10])[N:5]=[C:4]1[H:9])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1,3,5-6H/t3-/m1/s1",102.30485,60.87831,
1790,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([C@@:2]12[C:3]([H:8])=[C:4]([H:9])[N:5]1[N:6]2[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-5(3)4-3/h1-2,4,6H/t3-,5?/m1/s1",91.84706,79.92713,
1791,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[n:6]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)",46.9598,-0.44523999999999997,
1792,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([c+:2]1[c:3]([H:8])[c-:4][n:5]([H:9])[n:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1,4-6H",74.89757,49.64866,
1793,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([C:2][N:6]([N:5]1[C:3]([H:8])=[C:4]1[H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-5-1-2-5/h1-2,4,6H",147.71691,117.5254,
1794,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1](/[C:2]([C@:3]1([H:8])[C:4]([H:9])=[N:5]1)=[N:6]\[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c4-3(6)2-1-5-2/h1-2H,(H2,4,6)/t2-/m0/s1",88.01799999999999,33.42758,
1795,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([C:2][C@@:3]1([H:8])[C:4]([H:9])=[N:5][N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-2-3-1-4-5-3/h1,3,5-6H/t3-/m1/s1",129.94988999999998,102.20203000000001,
1796,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([C:2]1=[C:3]([H:8])[C@@:4]1(/[N:5]=[N:6]/[H:10])[H:9])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c4-5-2-1-3(2)6/h1-2,4,6H/b5-4+/t2-/m0/s1",116.66065,78.03866,
1798,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[C:4](#[N+:5][N-:6][H:10])[H:9].[O:1]([C:2]#[C:3][H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C2H2O.CH2N2/c1-2-3;1-3-2/h1,3H;1-2H",125.84176000000001,108.57797,
1799,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]=[C:2]1[C:3]([H:8])=[C:4]([H:9])[N-:5][N+:6]1([H:7])[H:10],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,5H2",63.15611,25.59581,
1800,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([C@@:2]1([H:10])[C:3]([H:8])=[C:4]([H:9])[N:5]=[N:6]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-3,6H/t3-/m0/s1",54.18705,35.221759999999996,
1801,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([C:2](=[C:3]=[C:4](/[N:5]=[N:6]/[H:10])[H:9])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c4-5-2-1-3-6/h2-4,6H/b5-4+",80.16521999999999,64.67328,
1802,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[N:6]([N+:5]#[C-:4])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c1-3(6)5-4-2/h5-6H,1H2",84.97705,52.90583,
1803,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[N:5][N:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h2H,1H2,(H,5,6)",63.709880000000005,-1.15307,ketoenol
1804,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([C:2]1=[C:3]=[C:4]([H:9])[N:5]([H:8])[N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h2,4-6H",92.6116,55.27485,
1805,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([C@:2]1([H:8])[C+:3]=[C:4]([H:9])[N-:5][N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h2-3,5-6H/t3-/m1/s1",80.18466,82.24276,Singlet_Carbene_Intra_Disproportionation
1806,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([C:2]1=[C+:3][C:4]([H:8])([H:9])[N-:5][N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h5-6H,2H2",80.80253,80.24775,
1807,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4]1([H:14])=[C:6]([H:18])[C:5]1([H:15])[H:16].[H:11][H:17],"InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C3H4.C3H6.H2/c1-2-3-1;1-3-2;/h1-2H,3H2;3H,1H2,2H3;1H",113.31334,78.80842,
1808,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],[C:1]([C:6]([C@@:4]1([H:14])[C@@:2]([C:3]([H:11])([H:12])[H:13])([H:10])[C:5]1([H:15])[H:16])([H:17])[H:18])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1",129.54447,-0.37154,
1809,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:14].[C:2]([C:3]([H:11])([H:12])[H:13])(=[C:4]1[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:10],"InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C5H8.CH4/c1-2-5-3-4-5;/h2H,3-4H2,1H3;1H4",123.42851,25.88531,
1810,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([H:11])([H:12])[H:13])([H:7])([H:8])[H:9].[C:4]1([H:10])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18],"InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3",InChI=1S/2C3H6/c1-2-3-1;1-3-2/h1-3H2;1-2H3,95.53944,92.09065,
1811,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4][C:5]([C:6]([H:14])([H:17])[H:18])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C6H12/c1-4-5-6(2)3/h6H,4H2,1-3H3",68.1876,66.04286,
1812,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C6H10.H2/c1-5(2)6-3-4-6;/h6H,1,3-4H2,2H3;1H",110.39588,28.90498,
1813,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4]([C:5]([H:11])([H:15])[H:16])(=[C:6]([H:17])[H:18])[H:14],"InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/2C3H6/c2*1-3-2/h2*3H,1H2,2H3",92.12451,16.48015,
1814,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([C:6](=[C:5]([H:15])[H:16])[H:18])[H:14])([H:7])([H:8])[H:9].[H:10][H:17],"InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C6H10.H2/c1-4-5-6(2)3;/h4-5H,1H2,2-3H3;1H",109.25035,21.857120000000002,
1815,[O:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4](=[C:5]=[C:6]([H:13])[H:14])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h3,6H,1,4-5H2",79.89545,-1.77869,
1816,[O:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[H:7][H:8].[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2","InChI=1S/C5H6O.H2/c1-2-3-4-5-6;/h1,5H,3-4H2;1H",85.00332,17.85181,
1817,[O:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[C:6]([H:7])[H:14],"InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2",InChI=1S/C5H8O/c1-5-3-2-4-6-5/h1-4H2,53.6988,-27.6812,
1818,[O:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:4](=[C:5]=[C:6]([H:8])[H:14])([H:12])[H:13].[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:7],"InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2","InChI=1S/C3H4.C2H4O/c1-3-2;1-2-3/h1-2H2;2-3H,1H2",58.032869999999996,16.00834,Retroene
1819,[O:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5][C:6]1([H:8])[H:14])[H:7],"InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h5-6H,1,3-4H2/t5-/m1/s1",72.20366,38.14073,
1820,[O:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2](=[C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:11])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2","InChI=1S/C5H6.H2O/c1-3-5-4-2;/h1,4H,2,5H2;1H2",67.9928,11.2663,"1,3_Insertion_ROR"
1821,[O:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]1([H:10])[C:4]([H:12])([H:13])[C:5][C:6]1([H:11])[H:14])([H:8])[H:9])[H:7],"InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h5-6H,2-4H2",94.63745,60.871480000000005,
1822,[O:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5][C:6]1([H:7])[H:14],"InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2,4-5H2",79.37086,45.68916,
1823,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([O:6][H:10])[N:4]([H:13])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h5-6H,2H2,1H3",86.52951,31.59651,ketoenol
1824,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([O:6][C:5]1=[C:2]([H:10])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-6-4-2-3-5-4/h2,5H,3H2,1H3",115.96865,43.46994,ketoenol
1825,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]([N+:4](=[C-:3][H:12])[H:13])=[O:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-4(6)5-2/h2,5H,3H2,1H3",84.95376999999999,42.97312,
1826,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]1[O:6][H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1",62.358819999999994,15.96031,ketoenol
1827,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2](/[C:3](=[N:4]/[H:13])[H:11])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H7N.CO/c1-2-3-4;1-2/h3-4H,2H2,1H3;/b4-3+;",91.47779,10.18977,
1828,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N:4]([C:3]([C:2](=[C:5]=[O:6])[H:10])([H:11])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-5-3-2-4-6/h2,5H,3H2,1H3",113.18619,24.98201,
1829,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[O:6])[H:10])([H:7])([H:8])[H:9].[C:3](=[N:4][H:13])([H:11])[H:12],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H4O.CH3N/c1-2-3-4;1-2/h2H,1H3;2H,1H2",57.61663000000001,35.802859999999995,
1830,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C@:2]([C:3]([N:4]([H:9])[H:13])([H:11])[H:12])([H:10])[C:5]1=[O:6],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c5-2-3-1-4(3)6/h3H,1-2,5H2/t3-/m0/s1",89.88004000000001,35.96843,
1831,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:5]([N:4]([C:3]([H:10])([H:11])[H:12])[H:13])[O-:6])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-4(6)5-2/h5H,1-2H3",75.84393,68.26525,
1832,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C-:1]([O+:6]=[C:5]1[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-6-4-2-3-5-4/h5H,1-3H2",108.02873999999998,90.91375,
1833,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:5]2([C:3]([H:11])([H:12])[N:4]2[H:13])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-4(6-3)2-5-4/h3,5H,2H2,1H3/t3-,4+/m0/s1",103.18203000000001,51.68725,
1834,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[O+:4]=[C-:5][C:6]1([H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h3H,1,5H2",65.77926,54.33803,Singlet_Carbene_Intra_Disproportionation
1835,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C@@:2]1([H:9])[C-:3]=[O+:4][C:5]([H:10])=[C:6]1[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-2,4H,5H2/t4-/m1/s1",64.18677,62.294940000000004,Singlet_Carbene_Intra_Disproportionation
1836,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:3]=[O+:4][C-:5]([H:10])[C:6]1([H:9])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h2H,1,5H2",89.30964,78.02041,
1837,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C@:2]([C:3](=[O:4])[H:9])([C:6]#[C:5][H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c1-2-4(5)3-6/h1,3-4H,5H2/t4-/m0/s1",88.28943000000001,36.19102,
1838,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]([C:3](=[O:4])[H:9])=[C:6]=[C:5]([H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c1-2-4(5)3-6/h3H,1,5H2",66.23552,28.21592,
1839,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:7])([H:9])[O:4][C:5]([H:10])=[C:6]1[H:11])\[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-2,5H,3H2/b5-4+",72.88174000000001,5.81557,
1840,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N+:1]([c:2]1[c-:3][o:4][c:5]([H:10])[c:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H4NO/c5-4-1-2-6-3-4/h1-2H,5H2/q-1/p+1",77.17763000000001,69.92195,
1841,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:6]([H:11])[C@:5]2([H:10])[C@@:3]1([H:9])[O:4]2)([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-2-1-3-4(2)6-3/h1,3-4H,5H2/t3-,4+/m1/s1",92.54445,57.05116999999999,Intra_2+2_cycloaddition_Cd
1842,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N+:1]([C:2]1=[C:6]=[C:5]([H:10])[O:4][C-:3]1[H:9])([H:7])([H:8])[H:11],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H4NO/c5-4-1-2-6-3-4/h2-3H,5H2/q-1/p+1",81.12008,76.99325999999999,
1843,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C-:2]1[C:3]([H:9])([H:10])[O+:4]=[C:5]=[C:6]1[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1H,3,5H2",111.19004,43.54885,
1844,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:6]=[C:5]([H:10])[O:4][C:3]1([H:9])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h2H,3,5H2",87.84946,48.04871,
1845,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N+:1]1([H:7])([H:8])[C:2]([C:6](=[C:5]([O-:4])[H:10])[H:11])=[C:3]1[H:9],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c6-2-1-4-3-5-4/h1-3,5-6H",78.01404000000001,72.2834,
1846,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N+:1]1([H:7])([H:8])[C@:2]2([C-:3]1[H:9])[O:4][C:5]([H:10])=[C:6]2[H:11],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c1-2-6-4(1)3-5-4/h1-3H,5H2/t4-/m0/s1",116.87731000000001,103.49514,
1847,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[C@:6]1([C:5](=[O:4])[H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-1-3(4)2-6/h1-3H,5H2/t3-/m0/s1",78.16325,40.35662,ketoenol
1848,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O+:4]=[C-:5][C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+",InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-4H2,72.57151999999999,42.29449,
1849,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]([O:4][H:12])([H:11])[C:5][C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h5-6H,1-3H2/t5-/m1/s1",68.00582,61.8765,
1850,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([O+:4]=[C-:5][H:12])([H:11])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-6-5-3-2-4-5/h1,5H,2-4H2",111.09236000000001,69.04759,
1851,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]([C:5][H:12])([H:11])[O:4][C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h1,5H,2-4H2/t5-/m0/s1",110.25267,78.29509,
1852,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1]([C:2]([C:3](=[O:4])[H:11])([H:9])[H:10])([C:6](=[C:5]([H:12])[H:13])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2",73.87365,-1.0716299999999999,
1853,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]([O:4][H:14])([H:11])[C:5]([H:12])=[C:6]1[H:13],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m0/s1",62.66573,-8.05912,
1854,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[O:4][C@@:5]([C:3](=[C:2]([H:9])[H:10])[H:11])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h2,5H,1,3-4H2/t5-/m1/s1",114.27558,19.73849,
1855,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C@@:1]12([H:7])[C:2]([H:9])([H:10])[C@:3]1([H:11])[C@:5]([O:4][H:8])([H:12])[C:6]2([H:13])[H:14],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5-/m0/s1",98.60399,19.280920000000002,
1856,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1](/[C:6](=[C:5](\[O:4][C:3](=[C:2]([H:9])[H:10])[H:11])[H:12])[H:13])([H:7])([H:8])[H:14],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-3-5-6-4-2/h3-5H,2H2,1H3/b5-3-",102.07656999999999,11.32577,
1857,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:10])=[C:3]([H:11])[O:4][C:5]([H:9])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2",105.41644,-6.00401,
1858,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1](=[C:6]([C@@:5]1([H:12])[C@:3]([C:2]([H:9])([H:10])[H:13])([H:11])[O:4]1)[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-3-5-4(2)6-5/h3-5H,1H2,2H3/t4-,5+/m1/s1",111.0474,15.563720000000002,
1859,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3]1(=[O:4])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16].[H:9][H:12],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3",InChI=1S/C3H4O.C2H4.H2/c4-3-1-2-3;1-2;/h1-2H2;1-2H2;1H,98.28787,55.6903,
1860,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3]([O:4][H:12])=[C:6](/[C:5]([H:13])([H:14])[H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5(6)4-2/h3,6H,4H2,1-2H3/b5-3-",64.57986,-11.50805,
1861,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3]([O:4][H:12])([C:5]([H:9])([H:13])[H:14])=[C:6]([H:15])[H:16],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C3H6O.C2H4/c1-3(2)4;1-2/h4H,1H2,2H3;1-2H2",91.35775,11.88332,
1862,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2]1([H:10])([H:11])[C:3](=[O:4])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3",InChI=1S/C4H6O.CH4/c5-4-2-1-3-4;/h1-3H2;1H4,93.6337,-0.5814600000000001,
1863,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]1[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:11])([H:7])([H:8])[H:9].[O:4]([H:10])[H:12],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C5H8.H2O/c1-2-5-3-4-5;/h2H,3-4H2,1H3;1H2",75.07762,20.75035,"1,3_Insertion_ROR"
1864,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]1=[C:5]([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[O:4]([H:12])[H:13],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C5H8.H2O/c1-2-5-3-4-5;/h3H,2,4H2,1H3;1H2",78.54907,35.13958,
1865,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([H:12])([H:15])[H:16])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3",64.03249,-20.04561,
1866,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][H:12])([H:7])([H:8])[H:9].[C:2](=[C:3]1[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C4H6.CH4O/c1-4-2-3-4;1-2/h1-3H2;2H,1H3",118.92381,36.66672,"1,3_Insertion_ROR"
1867,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:6]([C:5]([O:4][H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,2,4-5H2,1H3",103.87562,68.61639,
1868,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:6]([C:5]([C:3][O:4][H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,2-4H2,1H3",94.81482,38.77422,
1869,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1=[C:5]([H:14])[H:15])([H:7])([H:8])[H:9].[O:6]([H:13])[H:16],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8.H2O/c1-4-3-5(4)2;/h5H,1,3H2,2H3;1H2/t5-;/m0./s1",75.11516,18.68383,"1,3_Insertion_ROR"
1870,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([O:6][C:5]([C:4]1([H:13])[C:2]([H:10])([H:16])[C:3]1([H:11])[H:12])([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3",127.14195,12.82292,
1871,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4](=[C:5]([H:14])[H:15])[H:13])([H:11])[H:12])([O:6][H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-3-4-5(2)6/h3,5-6H,1,4H2,2H3/t5-/m0/s1",81.47006,-6.63172,
1872,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([C+:2]1[C:3]([H:11])([H:12])[C@:4]1([C-:5]([O:6][H:16])[H:14])[H:13])([H:7])([H:8])[H:9].[H:10][H:15],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O.H2/c1-4-2-5(4)3-6;/h3,5-6H,2H2,1H3;1H/t5-;/m0./s1",121.86644,88.37952,
1873,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([O:6][H:16])[H:13])([H:7])([H:8])[H:9].[C:5]([H:14])[H:15],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H8O.CH2/c1-3-2-4(3)5;/h3-5H,2H2,1H3;1H2/t3-,4+;/m0./s1",130.8081,111.54433,
1874,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9].[H:15][H:16],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O.H2/c1-4-2-5(4)3-6;/h3-5H,2H2,1H3;1H/t4-,5-;/m0./s1",87.23794000000001,14.70437,
1875,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:6][H:16])([H:11])[H:12])([C:4](=[C:5]([H:14])[H:15])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3/t5-/m1/s1",82.44398000000001,-3.2072,
1876,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:16])[H:15])([H:13])[H:14],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2-3H,1H2",85.04313,11.46993,
1877,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:11])=[C:4]1[H:13])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:14])[H:15].[H:12][H:16],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H6.CH2O.H2/c1-4-2-3-4;1-2;/h2-4H,1H3;1H2;1H",101.97876,71.44985,
1878,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[O:6]1)([H:11])[H:12])([H:10])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1",72.11818000000001,3.8401699999999996,
1879,[O:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([O:4][C:3](=[C:2]([H:8])[H:9])[C:5]([O:6][H:12])([H:10])[H:11])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2","InChI=1S/C3H6O3/c1-3(2-4)6-5/h4-5H,1-2H2",127.4521,71.12803000000001,ketoenol
1880,[O:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[H:9][H:10].[O:1]([C:2](=[C:3]([O-:4])[C+:5]([O:6][H:12])[H:11])[H:8])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2","InChI=1S/C3H4O3.H2/c4-1-3(6)2-5;/h1-2,4H,(H-,5,6);1H",91.60852,42.6652,
1881,[O:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C@:3]1([O:4][H:12])[C:5]([H:10])([H:11])[O:6]1)([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2","InChI=1S/C3H6O3/c4-1-3(5)2-6-3/h4-5H,1-2H2/t3-/m1/s1",56.80135,20.719820000000002,
1882,[O:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]([O:4][H:12])([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2","InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1",44.65719,4.43055,
1883,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C@:2]([C:3]([H:10])([H:11])[H:12])([H:9])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m1/s1",100.55285,-0.08897000000000001,
1884,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1]([C:2]([C:3]([O:4][H:16])([H:11])[H:12])([H:9])[H:10])([C:6](=[C:5]([H:13])[H:14])[H:15])([H:7])[H:8],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,"InChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2",79.45729,11.24974,
1885,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C-:3]=[O+:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16].[H:11][H:12],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,InChI=1S/C5H8O.H2/c1-2-4-6-5-3-1;/h1-4H2;1H,86.76926,72.8584,
1886,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16].[C:3]([H:11])[H:12],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,InChI=1S/C4H8O.CH2/c1-2-4-5-3-1;/h1-4H2;1H2,126.75618,115.65626999999999,
1887,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1]([C:2]([C:3](=[O+:4][C-:5]([H:13])[H:14])[H:11])([H:9])[H:10])([C:6]([H:12])([H:15])[H:16])([H:7])[H:8],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,"InChI=1S/C5H10O/c1-3-4-5-6-2/h5H,2-4H2,1H3",104.77086,70.37075,
1888,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3](=[O:4])([H:11])[H:12].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,InChI=1S/2C2H4.CH2O/c3*1-2/h2*1-2H2;1H2,103.49557,53.19023000000001,
1889,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1](=[C:2]([C:3]([O:4][C:5]([C:6]([H:9])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])[H:10])([H:7])[H:8],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,"InChI=1S/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3",124.20401000000001,19.28455,
1890,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([O:4][C:5]([C:6]([H:11])([H:15])[H:16])([H:13])[H:14])[H:12],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3",120.64953,24.33809,
1891,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1]([C:2]([C:3]([O+:4]=[C-:5][H:14])([H:11])[H:12])([H:9])[H:10])([C:6]([H:13])([H:15])[H:16])([H:7])[H:8],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,"InChI=1S/C5H10O/c1-3-4-5-6-2/h2H,3-5H2,1H3",86.81411999999999,64.27694,
1892,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C@:2]1([H:9])/[C:3](=[N:5]/[H:11])[O:4]1)([H:6])([H:7])[H:8].[H:10][H:12],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H5NO.H2/c1-2-3(4)5-2;/h2,4H,1H3;1H/b4-3-;/t2-;/m1./s1",101.89551,64.30835,
1893,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:8])[C:2]([H:9])([H:10])[C:3]1([O:4][H:7])[N:5]([H:11])[H:12],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO/c4-3(5)1-2-3/h5H,1-2,4H2",81.69666,37.90274,
1894,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([N:5]([H:11])[H:12])([H:6])([H:7])[H:8].[C:2](=[C:3]=[O:4])([H:9])[H:10],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C2H2O.CH5N/c1-2-3;1-2/h1H2;2H2,1H3",115.3169,44.18591,
1895,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([O+:4]=[C-:3][N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO/c1-2-5-3-4/h2,4H2,1H3",105.17147,50.189409999999995,
1896,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C+:2](=[C:3]([O-:4])[N:5]([H:11])[H:12])[H:9].[C:1]([H:6])([H:7])([H:8])[H:10],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C2H3NO.CH4/c1-2(3)4;/h1H,3H2;1H4",98.68137,93.27783000000001,
1897,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C@:3]([N:5]([H:11])[H:12])([H:10])[O:4]1)([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO/c1-2-3(4)5-2/h2-3H,4H2,1H3/t2-,3-/m0/s1",104.96838000000001,41.640390000000004,
1898,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C@:3]1([N:5]([H:11])[H:12])[C:2]([H:9])([H:10])[O:4]1)([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO/c1-3(4)2-5-3/h2,4H2,1H3/t3-/m1/s1",116.20773999999999,41.15578,
1899,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](/[C:2](=[C:3](\[O:4][H:10])[N:5]([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO/c1-2-3(4)5/h2,5H,4H2,1H3/b3-2-",68.24175,24.026,ketoenol
1900,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:4][C:3](=[C:2]([H:9])[H:10])[N:5]([H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO/c1-3(4)5-2/h1,4H2,2H3",103.08128,33.77535,ketoenol
1901,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1.[C:4]1([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,InChI=1S/C3H4.C2H4O/c2*1-2-3-1/h2*1-2H2,116.08997,97.25721999999999,
1902,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3](=[O+:6][C-:5]([H:13])[H:14])[C:4]1([H:11])[H:12],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,InChI=1S/C5H8O/c1-6-5-3-2-4-5/h1-4H2,98.31849,48.39703,
1903,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1=[C:4]([H:11])[H:12].[C:5](=[O:6])([H:13])[H:14],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,InChI=1S/C4H6.CH2O/c1-4-2-3-4;1-2/h1-3H2;1H2,68.92272,16.978839999999998,2+2_cycloaddition
1904,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1=[C:4]([C:5]([O:6][H:12])([H:13])[H:14])[H:11],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h3,6H,1-2,4H2",92.09992,0.17031,
1905,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]([H:11])([H:12])[H:14])[O+:6]=[C-:5][H:13],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-5(6-2)3-4-5/h2H,3-4H2,1H3",84.42765,46.42649,
1906,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1](=[C:3]1[C:2]([H:9])([H:10])[O:6][C:5]([H:13])([H:14])[C:4]1([H:11])[H:12])([H:7])[H:8],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,InChI=1S/C5H8O/c1-5-2-3-6-4-5/h1-4H2,74.60475,-22.52564,
1907,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1](/[C:2](=[C:3]1/[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:9])([H:7])([H:8])[H:10],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-2-5-3-4-6-5/h2H,3-4H2,1H3/b5-2-",64.7117,-13.357920000000002,
1908,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]1[C:4]([C:5]([O:6][H:10])([H:13])[H:14])([H:11])[H:12],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h1,6H,2-4H2",76.90572,13.12785,
1909,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3]1([H:12])=[C:4]([H:11])[C:5]([H:13])([H:14])[O:6]1,InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,"InChI=1S/C3H4O.C2H4/c1-2-4-3-1;1-2/h1-2H,3H2;1-2H2",112.70746000000001,23.58217,
1910,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([O:6][H:18])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:10])([H:11])[C:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([H:16])[H:17].[O:6]([H:9])[H:18],"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10.H2O/c1-5-3-2-4-5;/h5H,2-4H2,1H3;1H2",102.88537,13.54545,
1911,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([O:6][H:18])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:18].[C:2](=[C:3]([C:4]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11].[C:5](=[O:6])([H:16])[H:17],"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","InChI=1S/C3H6.CH2O.CH4/c1-3-2;1-2;/h3H,1H2,2H3;1H2;1H4",94.53856,33.186679999999996,
1912,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([O:6][H:18])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:18])([H:7])([H:8])[H:9].[C:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:17])([H:12])[H:16],"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","InChI=1S/C3H6O.C2H6/c1-2-3-4;1-2/h3H,2H2,1H3;1-2H3",93.17965,5.87129,
1913,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([O:6][H:18])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:17][H:18],"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O.H2/c1-3-5(2)4-6;/h4-5H,3H2,1-2H3;1H/t5-;/m1./s1",84.13738000000001,16.38374,
1914,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([O:6][H:18])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]1([H:12])[C:4]([H:14])([H:15])[C:5]1([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9].[O:6]([H:13])[H:18],"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10.H2O/c1-2-5-3-4-5;/h5H,2-4H2,1H3;1H2",95.42914,15.3168,
1915,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([O:6][H:18])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:5]([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([O:6][H:18])([H:13])([H:14])[H:15],"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","InChI=1S/C4H8.CH4O/c1-3-4-2;1-2/h3H,1,4H2,2H3;2H,1H3",111.71096000000001,24.03135,"1,3_Insertion_ROR"
1916,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([O:6][H:18])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:5]([O:6][H:18])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","InChI=1S/C4H8O.CH4/c1-2-3-4-5;/h5H,2,4H2,1H3;1H4",90.87939,85.98375,
1917,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([O:4][H:12])[H:8])([H:5])([H:6])[H:7],[C:1]([C:3]([H:9])([H:10])[H:11])([H:5])([H:6])[H:7].[C:2]([O:4][H:12])[H:8],"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3",InChI=1S/C2H6.CH2O/c2*1-2/h1-2H3;1-2H,143.04402,76.76578,
1918,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([O:4][H:12])[H:8])([H:5])([H:6])[H:7],[C:1]([C:3]([C:2](=[O:4])[H:8])([H:9])[H:11])([H:5])([H:6])[H:7].[H:10][H:12],"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3","InChI=1S/C3H6O.H2/c1-2-3-4;/h3H,2H2,1H3;1H",108.35061999999999,20.958779999999997,
1919,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([O:4][H:12])[H:8])([H:5])([H:6])[H:7],[C:1]([C:2](=[O:4])[H:8])([H:5])([H:6])[H:7].[C:3]([H:9])([H:10])([H:11])[H:12],"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3","InChI=1S/C2H4O.CH4/c1-2-3;/h2H,1H3;1H4",83.14936999999999,7.43726,
1920,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([O:4][H:12])[H:8])([H:5])([H:6])[H:7],[C:1]([C:2](=[C:3]([H:9])[H:11])[H:8])([H:5])([H:6])[H:7].[O:4]([H:10])[H:12],"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3","InChI=1S/C3H6.H2O/c1-3-2;/h3H,1H2,2H3;1H2",65.7597,13.656360000000001,"1,3_Insertion_ROR"
1921,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([O:4][H:12])[H:8])([H:5])([H:6])[H:7],[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])=[O:4])([H:5])([H:6])[H:7].[H:8][H:12],"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3",InChI=1S/C3H6O.H2/c1-3(2)4;/h1-2H3;1H,81.29915,12.657789999999999,
1922,[C:1]([C:2]([C:3]#[N:4])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2]([N+:4]#[C-:3])([H:8])[H:9])([H:5])([H:6])[H:7],"InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3","InChI=1S/C3H5N/c1-3-4-2/h3H2,1H3",59.67005,22.70965,
1923,[C:1]([C:2]([C:3]#[N:4])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2](=[C:3]=[N:4][H:8])[H:9])([H:5])([H:6])[H:7],"InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3","InChI=1S/C3H5N/c1-2-3-4/h2,4H,1H3",93.24871999999999,24.50297,
1924,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4][H:13])([O:6][C:5]([H:14])([H:15])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5-3-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h2,5H,4H2,1,3H3/t5-/m1/s1",91.3396,77.51652,
1925,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:4]([C:5]([O:6][H:12])([H:15])[H:16])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5-3-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,2,4-5H2,1H3",74.62241,60.077130000000004,
1926,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]1([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1,"InChI=1S/C5H10O/c1-2-5-3-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3-1/h1H,3H2,2H3;1-2H2",122.97991999999999,107.52001000000001,
1927,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:15])[H:16],"InChI=1S/C5H10O/c1-2-5-3-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3H,1,4H2,2H3;1H2",63.62353,10.004,2+2_cycloaddition
1928,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O+:6]=[C-:5][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5-3-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h3,5H,4H2,1-2H3/t5-/m1/s1",84.08386,45.5617,
1929,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[C:4](/[C:5]([O:6][H:13])([H:15])[H:16])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5-3-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3+",88.15635,-7.0942,
1930,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C-:5]#[O+:6].[O:1]([C:2]([C:3]([O:4][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C2H6O2.CO/c3-1-2-4;1-2/h3-4H,1-2H2;",69.1003,10.75205,"1,2_Insertion_CO"
1931,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]1([H:10])[H:11].[O:4]=[C:5]([O:6][H:7])[H:12],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C2H4O.CH2O2/c1-2-3-1;2-1-3/h1-2H2;1H,(H,2,3)",63.70915,25.63672,
1932,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:7].[O:4]=[C:5]([O:6][H:8])[H:12],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C2H4O.CH2O2/c1-2-3;2-1-3/h2-3H,1H2;1H,(H,2,3)",51.372840000000004,9.81415,Retroene
1933,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([O:6][C:5](=[O+:4][C-:3]([H:10])[H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C3H6O3/c1-5-3-6-2-4/h3-4H,1-2H2",104.63159,88.17211,
1934,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[H:7][H:10].[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:8])[H:11])[H:9],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C3H4O3.H2/c4-1-2-6-3-5;/h1,3H,2H2;1H",95.77823000000001,21.130779999999998,
1935,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([O:6][H:7])[H:12],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C3H6O3/c4-3-5-1-2-6-3/h3-4H,1-2H2",44.52728,7.5244100000000005,
1936,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C-:5]#[O+:6].[C:3](=[O:4])([H:10])[H:11].[O:1]([C:2]([H:8])([H:9])[H:12])[H:7],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/CH4O.CH2O.CO/c3*1-2/h2H,1H3;1H2;",92.17354,30.1074,
1937,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([H:10])([H:11])[H:12])([H:8])[H:9])[H:7].[O:4]=[C:5]=[O:6],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C2H6O.CO2/c1-2-3;2-1-3/h3H,2H2,1H3;",81.33094,-21.095670000000002,"1,3_Insertion_CO2"
1938,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([O+:4]=[C-:5][O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C3H6O3/c4-1-2-6-3-5/h4-5H,1-2H2",77.1438,45.06578,
1939,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([O:4][C:5]([O:6][H:7])([H:8])[H:12])([H:10])[H:11])[H:9],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C3H6O3/c4-1-2-6-3-5/h1,5H,2-3H2",55.71013000000001,20.89396,
1940,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:5](=[O:6])([H:10])[H:12].[O:1]([C:2]([C:3](=[O:4])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C2H4O2.CH2O/c3-1-2-4;1-2/h1,4H,2H2;1H2",75.06848000000001,32.15119,
1941,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([H:9])([H:10])[H:11])[H:8].[O:4]=[C:5]([O:6][H:7])[H:12],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C2H4O.CH2O2/c1-2-3;2-1-3/h2H,1H3;1H,(H,2,3)",47.2027,-0.9596100000000001,
1942,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[C:4](=[N+:5]=[C-:6][H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-5-3-4-6-2/h1,3-4H,2H3/b6-4+",68.37472,63.574009999999994,
1943,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C-:4]=[N+:5]=[C:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h4H,3H2,1H3",76.91878,67.98013,Singlet_Carbene_Intra_Disproportionation
1944,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@:3]1([H:10])[N:2]=[C:6]([H:12])[N:5]=[C:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-4H,1H3/t4-/m0/s1",66.99903,11.230410000000001,
1945,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:10])[C-:3]=[C:4]([H:11])[N:5]=[C:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2,4,6H,1H3",90.54930999999999,83.06236,
1946,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C-:1]([n+:2]1[c:3]([H:10])[c:4]([H:11])[n:5]([H:7])[c:6]1[H:12])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-5H,1H2",127.98555,56.36104,
1947,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([n:2]1[c:3]([H:10])[c-:4][n:5]([H:11])[c+:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h3-5H,1H3",83.99348,48.5152,
1948,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:6]1([H:12])[N:2]=[C:3]([H:10])[C:4]([H:11])=[N:5]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-4H,1H3",61.40085,10.658619999999999,
1949,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:3]([H:10])[C:4]([H:7])([H:11])[N:5]=[C:6]1[H:12])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h3-4H,1-2H2",111.67916000000001,57.454840000000004,
1950,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:6]([N:5]=[C:4]=[C:3]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-3-6-4-5-2/h4H,1H2,2H3",102.39183,39.14242,
1951,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:3]([H:10])[C:4]([H:11])=[N:5][C:6]1([H:7])[H:12])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-3H,1,4H2",99.39435,47.2547,
1952,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C-:1]([N+:2]1([H:7])[C:3]([H:10])=[C:4]([H:11])[N:5]=[C:6]1[H:12])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4,6H,1H2",99.33658,96.24176,
1953,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[N:2]2[C@:3]1([H:10])[C:4]([H:11])=[N:5][C:6]2([H:7])[H:12],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-4-2-6(4)3-5-1/h1,4H,2-3H2/t4-,6?/m1/s1",113.02552,36.62285,
1954,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:6](/[N:5]1[C:3]([H:10])=[C:4]1[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-5-4-6-2-3-6/h2-4H,1H3/b5-4+",113.12218999999999,91.41197,
1955,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:6]([H:12])[N:5]=[C:4]([H:11])[C:3]1([H:7])[H:10])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2,4H,1,3H2",100.13719,56.51965,
1956,[N:1](=[C:2](/[O:3][C:4](=[O:5])[H:8])[H:7])\[H:6],[N:1](=[C:2]([H:7])[H:8])[H:6].[O:3]=[C:4]=[O:5],InChI=1S/C2H3NO2/c3-1-5-2-4/h1-3H/b3-1+,"InChI=1S/CH3N.CO2/c1-2;2-1-3/h2H,1H2;",67.86309,-12.74052,"1,3_Insertion_CO2"
1957,[N:1](=[C:2](/[O:3][C:4](=[O:5])[H:8])[H:7])\[H:6],[C-:4]#[O+:5].[N:1]([C:2](=[O:3])[H:7])([H:6])[H:8],InChI=1S/C2H3NO2/c3-1-5-2-4/h1-3H/b3-1+,"InChI=1S/CH3NO.CO/c2-1-3;1-2/h1H,(H2,2,3);",29.00658,-12.062389999999999,
1958,[N:1](=[C:2](/[O:3][C:4](=[O:5])[H:8])[H:7])\[H:6],[N:1]([C:2](=[O:3])[H:7])([C:4](=[O:5])[H:8])[H:6],InChI=1S/C2H3NO2/c3-1-5-2-4/h1-3H/b3-1+,"InChI=1S/C2H3NO2/c4-1-3-2-5/h1-2H,(H,3,4,5)",24.82615,-15.64856,ketoenol
1959,[N:1](=[C:2](/[O:3][C:4](=[O:5])[H:8])[H:7])\[H:6],[N:1](=[C:2](/[O+:3]=[C-:4][O:5][H:8])[H:7])\[H:6],InChI=1S/C2H3NO2/c3-1-5-2-4/h1-3H/b3-1+,"InChI=1S/C2H3NO2/c3-1-5-2-4/h1,3-4H/b3-1+",78.8245,45.4187,
1960,[N:1](=[C:2](/[O:3][C:4](=[O:5])[H:8])[H:7])\[H:6],[N:1]([C-:2]=[O+:3][C:4](=[O:5])[H:8])([H:6])[H:7],InChI=1S/C2H3NO2/c3-1-5-2-4/h1-3H/b3-1+,"InChI=1S/C2H3NO2/c3-1-5-2-4/h2H,3H2",72.78428000000001,27.224290000000003,
1961,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1](/[C:2]([C:3](=[O:4])[H:9])=[C:5](\[C:6][H:10])[H:8])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c1-2-4(6)3-5/h1-3,6H/b4-2-",60.007,47.64921,
1962,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([C:2]([C:3](=[O:4])[H:9])=[C:5]=[C:6]([H:8])[H:10])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c1-2-4(6)3-5/h3,6H,1H2",55.62101,-11.144160000000001,
1963,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([c:2]1[c:3]([H:9])[o:4][c:6]([H:10])[c:5]1[H:8])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c5-4-1-2-6-3-4/h1-3,5H",51.95714,-32.850770000000004,
1964,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([C:2](=[C:5]=[C:6]([C:3](=[O:4])[H:9])[H:10])[H:8])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c5-3-1-2-4-6/h1,3-4,6H",49.02414,-6.6276399999999995,
1965,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]1[C@@:2]([C:5]#[C:6][H:10])([H:8])[C@@:3]1([O:4][H:7])[H:9],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c1-2-3-4(5)6-3/h1,3-5H/t3-,4-/m1/s1",56.20316999999999,13.171570000000001,
1966,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])=[C:6]([H:10])[C:5]1=[O:4])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c5-3-1-2-4(3)6/h1-3,5H/t3-/m0/s1",103.24798,-14.316679999999998,
1967,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])=[C:5]1[C:6](=[O:4])[H:10])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c5-2-3-1-4(3)6/h1-2,4,6H/t4-/m0/s1",79.21708000000001,13.277320000000001,
1968,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([C@@:2]([C:3][O:4][H:9])([C:5]#[C:6][H:10])[H:8])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,4-6H/t4-/m1/s1",81.31641,53.35479,
1969,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]=[C:2]([C:3]([O:4][H:7])([H:8])[H:9])[C:5]#[C:6][H:10],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2",39.10492,-4.30549,
1970,[C:1]([C:2]([C:3](=[O:4])[O:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3]([O:4][H:9])=[O+:5][C:6]([H:12])([H:13])[H:14].[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3","InChI=1S/C2H4O2.C2H4/c1-4-2-3;1-2/h3H,1H3;1-2H2",86.85588,74.05051999999999,
1971,[C:1]([C:2]([C:3](=[O:4])[O:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:4][C-:3]=[O+:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3","InChI=1S/C4H8O2/c1-3-6-4-5-2/h3H2,1-2H3",107.80415,57.81751,
1972,[C:1]([C:2]([C:3](=[O:4])[O:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:10])[O:5][C:6]([H:12])([H:13])[H:14])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3","InChI=1S/C4H8O2/c1-3-4(5)6-2/h3,5H,1-2H3/b4-3+",75.19787,28.31658,ketoenol
1973,[C:1]([C:2]([C:3](=[O:4])[O:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:10])([H:11])[C:3]1([O:4][H:9])[O:5][C:6]([H:12])([H:13])[H:14],"InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3","InChI=1S/C4H8O2/c1-6-4(5)2-3-4/h5H,2-3H2,1H3",89.72319,39.502309999999994,
1974,[C:1]([C:2]([C:3](=[O:4])[O:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][C:3](=[C:2]([H:10])[H:11])[O:5][C:6]([H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3","InChI=1S/C4H8O2/c1-4(5-2)6-3/h1H2,2-3H3",108.30765,38.352509999999995,ketoenol
1975,[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([C:4]([C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])[H:8].[H:9][H:11],"InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3","InChI=1S/C6H12.H2/c1-3-5-6-4-2;/h3H,1,4-6H2,2H3;1H",113.9151,30.717990000000004,
1976,[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:14])([H:7])([H:8])[H:9].[C:3](=[C:4]([C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])[H:15])([H:12])[H:13],"InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3","InChI=1S/C4H8.C2H6/c1-3-4-2;1-2/h3H,1,4H2,2H3;1-2H3",116.58287,20.23633,
1977,[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[C:4](=[C:5]([C:6]([H:18])([H:19])[H:20])[H:16])([H:14])[H:15].[H:10][H:17],"InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3","InChI=1S/2C3H6.H2/c2*1-3-2;/h2*3H,1H2,2H3;1H",95.454,50.22364,
1978,[N:1]([C:2]([C@@:3]([N:4]([H:12])[H:13])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C@:2]1([H:10])[C@:3]([N:4]([H:12])[H:13])([H:11])[C:5]1=[N:6][H:9])([H:7])[H:8],"InChI=1S/C3H7N3/c4-1-3(6)2-5/h3H,1,4,6H2/t3-/m1/s1","InChI=1S/C3H7N3/c4-1-2(5)3(1)6/h1-2,6H,4-5H2/t1-,2-/m1/s1",108.24533000000001,36.11305,
1979,[N:1]([C:2]([C@@:3]([N:4]([H:12])[H:13])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([C@@:3]1([H:11])[C:5]([N:4]([H:12])[H:13])=[N:6]1)([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H7N3/c4-1-3(6)2-5/h3H,1,4,6H2/t3-/m1/s1","InChI=1S/C3H7N3/c4-1-2-3(5)6-2/h2H,1,4H2,(H2,5,6)/t2-/m0/s1",94.31,27.3292,
1980,[N:1]([C:2]([C@@:3]([N:4]([H:12])[H:13])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C:5](#[N:6])[H:11].[N:1]([C:2]([C:3][N:4]([H:12])[H:13])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H7N3/c4-1-3(6)2-5/h3H,1,4,6H2/t3-/m1/s1","InChI=1S/C2H6N2.CHN/c3-1-2-4;1-2/h1,3-4H2;1H",66.48425,53.85221,
1981,[N:1]([C:2]([C@@:3]([N:4]([H:12])[H:13])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C@@:3]1([N:4]([H:12])[H:13])([H:11])[C:5]([H:8])=[N:6]1.[N:1](=[C:2]([H:9])[H:10])[H:7],"InChI=1S/C3H7N3/c4-1-3(6)2-5/h3H,1,4,6H2/t3-/m1/s1","InChI=1S/C2H4N2.CH3N/c3-2-1-4-2;1-2/h1-2H,3H2;2H,1H2/t2-;/m0./s1",88.05921,58.38227,
1982,[N:1]([C:2]([C@@:3]([N:4]([H:12])[H:13])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([C-:3]([N+:4]([H:11])([H:12])[H:13])[C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H7N3/c4-1-3(6)2-5/h3H,1,4,6H2/t3-/m1/s1","InChI=1S/C3H7N3/c4-1-3(6)2-5/h1,4H2,6H3",65.43823,41.876909999999995,
1983,[N:1]([C:2]([C@@:3]([N:4]([H:12])[H:13])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([C@@:3]([N:4]([H:12])[H:13])([N+:6]#[C-:5])[H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H7N3/c4-1-3(6)2-5/h3H,1,4,6H2/t3-/m1/s1","InChI=1S/C3H7N3/c1-6-3(5)2-4/h3H,2,4-5H2/t3-/m0/s1",48.20722,19.45618,
1984,[N:1]([C:2]([C@@:3]([N:4]([H:12])[H:13])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([C:3]([N:4]([H:12])[H:13])=[C:5]=[N:6][H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H7N3/c4-1-3(6)2-5/h3H,1,4,6H2/t3-/m1/s1","InChI=1S/C3H7N3/c4-1-3(6)2-5/h5H,1,4,6H2",85.16778000000001,24.60206,
1985,[O:1]=[C:2]1[C:3]([H:6])([H:7])[O:4][C:5]1([H:8])[H:9],[H:8][H:9].[O-:1][C:2]1=[C:5]=[O+:4][C:3]1([H:6])[H:7],InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2,InChI=1S/C3H2O2.H2/c4-3-1-5-2-3;/h1H2;1H,88.35361,75.75865,
1986,[O:1]=[C:2]1[C:3]([H:6])([H:7])[O:4][C:5]1([H:8])[H:9],[O:1]1[C:2]2([C:3]1([H:6])[H:7])[O:4][C:5]2([H:8])[H:9],InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2,InChI=1S/C3H4O2/c1-3(4-1)2-5-3/h1-2H2,80.7734,28.9369,
1987,[O:1]=[C:2]1[C:3]([H:6])([H:7])[O:4][C:5]1([H:8])[H:9],[O:1]([C:2]1=[C:3]([H:6])[O:4][C:5]1([H:8])[H:9])[H:7],InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2,"InChI=1S/C3H4O2/c4-3-1-5-2-3/h1,4H,2H2",83.40805,19.846429999999998,ketoenol
1988,[O:1]=[C:2]1[C:3]([H:6])([H:7])[O:4][C:5]1([H:8])[H:9],[O+:1]1=[C-:2][C:3]1([H:6])[H:7].[O:4]=[C:5]([H:8])[H:9],InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2,InChI=1S/C2H2O.CH2O/c1-2-3-1;1-2/h1H2;1H2,90.24002,69.28667,
1989,[O:1]=[C:2]1[C:3]([H:6])([H:7])[O:4][C:5]1([H:8])[H:9],[O-:1][C:2](=[C+:3][H:6])[C:5]([O:4][H:7])([H:8])[H:9],InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2,"InChI=1S/C3H4O2/c1-3(5)2-4/h1,4H,2H2",68.0479,57.05546,
1990,[O:1]=[C:2]1[C:3]([H:6])([H:7])[O:4][C:5]1([H:8])[H:9],[O:1]=[C:2]=[C:3]([H:6])[H:7].[O:4]=[C:5]([H:8])[H:9],InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2,InChI=1S/C2H2O.CH2O/c1-2-3;1-2/h1H2;1H2,65.08511999999999,5.2950800000000005,2+2_cycloaddition
1991,[O:1]=[C:2]1[C:3]([H:6])([H:7])[O:4][C:5]1([H:8])[H:9],[O:1]1[C@@:2]2([H:7])[C@:3]1([H:6])[O:4][C:5]2([H:8])[H:9],InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2,"InChI=1S/C3H4O2/c1-2-3(4-1)5-2/h2-3H,1H2/t2-,3-/m1/s1",64.26346,27.553790000000003,
1992,[O:1]=[C:2]1[C:3]([H:6])([H:7])[O:4][C:5]1([H:8])[H:9],[O:1]=[C:2]([C:5]([O+:4]=[C-:3][H:6])([H:8])[H:9])[H:7],InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2,"InChI=1S/C3H4O2/c1-5-3-2-4/h1-2H,3H2",65.14881,51.0385,
1993,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C:3](/[N:2]=[C:4](\[C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h4,6H,2-3H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H9NO/c1-2-5-3-4-6/h3,6H,2,4H2,1H3/b5-3-",90.68038,-10.32361,
1994,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:14])[H:12])([H:7])([H:8])[H:9].[H:13][H:15],"InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h4,6H,2-3H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO.H2/c1-5-2-4(5)3-6;/h3-4H,2H2,1H3;1H/t4-,5?;/m0./s1",89.83935,21.6975,
1995,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:4]([N:2]=[C:3]([H:10])[H:11])([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h4,6H,2-3H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H9NO/c1-4(3-6)5-2/h4,6H,2-3H2,1H3/t4-/m1/s1",90.7928,-15.0668,
1996,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])[H:9].[H:8][H:10],"InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h4,6H,2-3H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO.H2/c1-5-2-4(5)3-6;/h2,4,6H,1,3H2;1H/t4-;/m0./s1",87.35428,73.02701,
1997,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1=[C:5]([H:13])[H:14])([H:7])([H:8])[H:9].[O:6]([H:12])[H:15],"InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h4,6H,2-3H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7N.H2O/c1-4-3-5(4)2;/h1,3H2,2H3;1H2",79.46465,18.667679999999997,"1,3_Insertion_ROR"
1998,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C-:4]#[O+:5].[C:1]([C:6]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C4H8.CO/c1-3-4-2;1-2/h3H,1,4H2,2H3;",101.87772,3.4227800000000004,
1999,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([O-:5])=[C+:6][H:13])([H:11])[H:12])([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-3-4-5(2)6/h2H,3-4H2,1H3",75.83649,71.9952,
2000,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]2([H:10])[C:3]([H:11])([H:12])[C:4]1([O:5][H:7])[C:6]2([H:13])[H:14],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C5H8O/c6-5-1-4(2-5)3-5/h4,6H,1-3H2",98.94496,33.77469,
2001,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C:4](=[O:5])[C:6]([H:10])([H:13])[H:14])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-3-4-5(2)6/h4H2,1-2H3",79.62573,65.19991999999999,
2002,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3",InChI=1S/C4H4O.CH4/c5-4-2-1-3-4;/h2-3H2;1H4,97.008,91.10604000000001,
2003,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:6]([H:13])[H:14])[H:10])([H:7])([H:8])[H:9].[C:3](=[C:4]=[O:5])([H:11])[H:12],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C3H6.C2H2O/c1-3-2;1-2-3/h3H,1H2,2H3;1H2",51.08471,20.8554,
2004,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:14])([C:6](=[C:4]=[O:5])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-5(2)3-4-6/h3,5H,1-2H3",80.10537,1.1269799999999999,
2005,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C-:2]1[C:3]([H:11])([H:12])[C+:4]([O:5][H:10])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-4-2-5(6)3-4/h6H,2-3H2,1H3",96.56902,90.84908,
2006,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:3]([H:12])=[C:4]([O:5][H:11])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-4-2-5(6)3-4/h2,4,6H,3H2,1H3/t4-/m1/s1",78.40759,14.64976,ketoenol
2007,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([H:12])[C:4]([H:10])([H:11])[C:3]1=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C5H6O/c1-4-2-3-5(4)6/h2H,3H2,1H3",112.98801,-12.68939,
2008,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C:4]([C:5][O:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C5H6O/c1-2-3-4-5-6/h6H,4H2,1H3",81.51104000000001,53.37846,
2009,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C5H6O/c1-5(2)3-4-6/h4H,3H2,1H3",57.58064,52.93199,
2010,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C5H6O/c1-3-5(2)4-6/h4H,1H2,2H3",55.83664,-3.9058300000000004,
2011,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C5H6O/c1-2-3-4-5-6/h3,5H,1,4H2",90.12987,3.22629,
2012,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2](=[C:3]=[C:4]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C4H6.CO/c1-3-4-2;1-2/h4H,1H2,2H3;",45.87576,-0.58115,
2013,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]1[C:4]([H:10])([H:11])[C@@:5]1([O:6][H:9])[H:12])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C5H6O/c1-2-4-3-5(4)6/h5-6H,1,3H2/t5-/m0/s1",58.08509,28.469759999999997,
2014,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3",56.77395,-31.182879999999997,
2015,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@:5]1([H:12])[C:3][C:4]1([H:10])[H:11])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C5H6O/c1-4(6)5-2-3-5/h5H,2H2,1H3/t5-/m0/s1",80.98943,59.63653000000001,
2016,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[C:4]([H:9])([H:11])[H:12])([H:6])([H:7])[H:8].[O:5]([H:10])[H:13],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1",InChI=1S/C3H6O.H2O/c1-3(2)4;/h1-2H3;1H2,80.50893,-6.20531,
2017,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]([O:3][H:10])[C:4]([O:5][H:13])([H:11])[H:12])([H:6])[H:8].[H:7][H:9],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C3H6O2.H2/c1-3(5)2-4;/h4-5H,1-2H2;1H",105.6053,27.210720000000002,
2018,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([C:4]([C:2](=[O:3])[H:9])([H:11])[H:12])([H:6])([H:7])[H:8].[O:5]([H:10])[H:13],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C3H6O.H2O/c1-2-3-4;/h3H,2H2,1H3;1H2",75.57125,2.01772,
2019,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([O:3][H:10])([H:6])([H:7])[H:8].[C:2]([C:4]([O:5][H:13])([H:11])[H:12])[H:9],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C2H4O.CH4O/c1-2-3;1-2/h1,3H,2H2;2H,1H3",128.51953,28.108420000000002,
2020,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[O:3][C:4]1([H:11])[H:12])([H:6])([H:7])[H:8].[O:5]([H:10])[H:13],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C3H6O.H2O/c1-3-2-4-3;/h3H,2H2,1H3;1H2/t3-;/m1./s1",73.7694,22.94126,
2021,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([O:3][H:10])([H:9])[H:12])([H:6])([H:7])[H:8].[C:4]([O:5][H:13])[H:11],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C2H6O.CH2O/c1-2-3;1-2/h3H,2H2,1H3;1-2H",82.49865,73.51380999999999,
2022,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2][O:3][H:10])([H:6])([H:7])[H:8].[C:4]([O:5][H:13])([H:9])([H:11])[H:12],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C2H4O.CH4O/c1-2-3;1-2/h3H,1H3;2H,1H3",104.4473,66.09186,
2023,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8].[H:12][H:13],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C3H6O2.H2/c1-3(5)2-4;/h2-3,5H,1H3;1H/t3-;/m1./s1",85.9671,20.76595,
2024,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([O:3][H:10])=[C:4]([H:11])[H:12])([H:6])([H:7])[H:8].[O:5]([H:9])[H:13],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C3H6O.H2O/c1-3(2)4;/h4H,1H2,2H3;1H2",73.45239000000001,4.89947,"1,3_Insertion_ROR"
2025,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:13].[C:2](=[O:3])([C:4]([O:5][H:10])([H:11])[H:12])[H:9],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C2H4O2.CH4/c3-1-2-4;/h1,4H,2H2;1H4",78.39783,8.47587,
2026,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:8])[C:2]([O:3][H:10])([H:9])[C:4]1([H:11])[H:12].[O:5]([H:7])[H:13],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C3H6O.H2O/c4-3-1-2-3;/h3-4H,1-2H2;1H2",99.8187,20.58377,
2027,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]=[C:2]=[C:3]([C:4]([C:5]([N:6]([H:8])[H:13])([H:11])[H:12])([H:9])[H:10])[H:7],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c5-3-1-2-4-6/h2H,1,3,5H2",81.57722,34.01043,
2028,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[C:3](=[C:4]([H:9])[H:10])([H:7])[H:8].[C:5](=[N:6][H:13])([H:11])[H:12].[O+:1]#[C-:2],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C2H4.CH3N.CO/c3*1-2/h1-2H2;2H,1H2;",96.3533,56.615559999999995,
2029,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]([C:2]1=[C:3]([H:7])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])[H:8],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h2,5-6H,1,3H2",74.48461999999999,27.38557,ketoenol
2030,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]([C@:2]12[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C@@:5]1([H:12])[N:6]2[H:13])[H:11],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c6-4-2-1-3(4)5-4/h3,5-6H,1-2H2/t3-,4-/m1/s1",119.46625,61.03617,
2031,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]1/[C:2](=[N:6]\[H:13])[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-",112.23615,16.005779999999998,ketoenol
2032,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[C:3]1([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12].[O:1]=[C:2]=[N:6][H:13],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)",InChI=1S/C3H6.CHNO/c1-2-3-1;2-1-3/h1-3H2;2H,101.51201999999999,29.6479,
2033,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]=[C:2]=[N:6][C:5]([C:4]([C:3]([H:7])([H:8])[H:13])([H:9])[H:10])([H:11])[H:12],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3",99.06898000000001,8.79234,
2034,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]1[C:2](=[C:3]([H:7])[H:8])[N:6]([H:13])[C:5]([H:11])([H:12])[C:4]1([H:9])[H:10],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h5H,1-3H2",118.53183999999999,34.389829999999996,ketoenol
2035,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]=[C:2]([C:3]([C:4](/[C:5](=[N:6]/[H:13])[H:12])([H:9])[H:10])([H:7])[H:8])[H:11],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c5-3-1-2-4-6/h3-5H,1-2H2/b5-3+",92.89180999999999,29.679129999999997,
2036,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]=[C:2]([C:3]([C:4]([H:9])([H:10])[H:12])([H:7])[H:8])[N+:6](=[C-:5][H:11])[H:13],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c1-3-4(6)5-2/h2,5H,3H2,1H3",87.98425999999999,61.16848,
2037,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]=[C:2]([C:3]([C:4]([H:9])([H:10])[H:13])([H:7])[H:8])[N:6]=[C:5]([H:11])[H:12],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c1-3-4(6)5-2/h2-3H2,1H3",111.55008000000001,25.040960000000002,
2038,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]([C:2]1=[N:6][C:5]([H:11])([H:12])[C:4]([H:9])([H:10])[C:3]1([H:7])[H:8])[H:13],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)",50.23958,11.56381,ketoenol
2039,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1](/[C:2]([C:3]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:7])[H:8])=[N:6]\[H:13])[H:9],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c1-2-3-4(5)6/h2H,1,3H2,(H2,5,6)",104.16905,26.72402,
2040,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]([C+:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C-:5]([H:11])[N:6]1[H:13])[H:12],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h3,5-6H,1-2H2",111.56758,72.33766,
2041,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O-:1][C:2](=[C+:3][H:8])[N:6]([C:5]([C:4]([H:7])([H:9])[H:10])([H:11])[H:12])[H:13],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c1-3-5-4(2)6/h2,5H,3H2,1H3",93.32468,90.88891,
2042,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[H:7][H:11].[O-:1][C:2]1=[C:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:12])=[N+:6]1[H:13],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H5NO.H2/c6-4-2-1-3-5-4;/h2-3,6H,1H2;1H",82.0706,61.47985,
2043,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C:1]([C:2]([O:3][H:12])([H:9])[H:10])([C:6]([O+:5]=[C-:4][H:11])([H:13])[H:14])([H:7])[H:8],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,"InChI=1S/C4H8O2/c1-6-4-2-3-5/h1,5H,2-4H2",71.87491,57.98393000000001,
2044,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C:1](=[C:2]([H:9])[H:10])([C:6]([O:5][C:4]([O:3][H:7])([H:11])[H:12])([H:13])[H:14])[H:8],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,"InChI=1S/C4H8O2/c1-2-3-6-4-5/h2,5H,1,3-4H2",80.87340999999999,12.01044,
2045,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C:1]([C:6]([O:5][C:4]([O+:3]=[C-:2][H:9])([H:11])[H:12])([H:13])[H:14])([H:7])([H:8])[H:10],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,"InChI=1S/C4H8O2/c1-3-6-4-5-2/h2H,3-4H2,1H3",86.98554,68.29553,
2046,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C@@:1]1([C:2]([H:8])([H:9])[H:10])([H:7])[O:5][C:6]1([H:13])[H:14].[O:3]=[C:4]([H:11])[H:12],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,"InChI=1S/C3H6O.CH2O/c1-3-2-4-3;1-2/h3H,2H2,1H3;1H2/t3-;/m0./s1",98.02059,31.69544,
2047,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O+:5]=[C-:6]1.[H:13][H:14],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,"InChI=1S/C4H6O2.H2/c1-2-5-4-6-3-1;/h1-2,4H2;1H",87.33636,74.00543,
2048,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[O:3]=[C:4]([H:11])[H:12].[O:5]=[C:6]([H:13])[H:14],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,InChI=1S/C2H4.2CH2O/c3*1-2/h1-2H2;2*1H2,78.04186999999999,42.517559999999996,
2049,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C:1]1([H:8])=[C:2]([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14].[H:7][H:9],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,"InChI=1S/C4H6O2.H2/c1-2-5-4-6-3-1;/h1-2H,3-4H2;1H",110.73685,26.264020000000002,
2050,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5]1.[C:6]([H:13])[H:14],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,InChI=1S/C3H6O2.CH2/c1-2-5-3-4-1;/h1-3H2;1H2,128.52122,116.22693000000001,
2051,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C-:2]([H:10])[O+:3]=[C:4]([H:11])[O:5][C:6]1([H:13])[H:14].[H:9][H:12],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,"InChI=1S/C4H6O2.H2/c1-2-5-4-6-3-1;/h2,4H,1,3H2;1H",82.62085,78.91194,
2052,[N:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:2](=[C:3]=[N:4][H:9])[C:5]#[N:6])([H:7])[H:8],"InChI=1S/C3H3N3/c4-1-3(6)2-5/h3H,6H2","InChI=1S/C3H3N3/c4-1-3(6)2-5/h4H,6H2",79.53726999999999,15.985570000000001,
2053,[N:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:9])([H:7])[H:8],[N+:1]([C-:2]([C:3]#[N:4])[H:9])([C:5]#[N:6])([H:7])[H:8],"InChI=1S/C3H3N3/c4-1-3(6)2-5/h3H,6H2","InChI=1S/C3H3N3/c4-1-2-6-3-5/h2H,6H2",79.18968000000001,70.12918,
2054,[N:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C@@:2]([N+:4]#[C-:3])([C:5]#[N:6])[H:9])([H:7])[H:8],"InChI=1S/C3H3N3/c4-1-3(6)2-5/h3H,6H2","InChI=1S/C3H3N3/c1-6-3(5)2-4/h3H,5H2/t3-/m0/s1",51.19226,20.52373,
2055,[N:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:9])([H:7])[H:8],[C:5]=[N:6][H:7].[N:1](=[C:2](\[C:3]#[N:4])[H:9])\[H:8],"InChI=1S/C3H3N3/c4-1-3(6)2-5/h3H,6H2","InChI=1S/C2H2N2.CHN/c3-1-2-4;1-2/h1,3H;2H/b3-1-;",59.70624,32.925909999999995,
2056,[N:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:9])([H:7])[H:8],[N+:1]([C-:2]([C:3]#[N:4])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C3H3N3/c4-1-3(6)2-5/h3H,6H2",InChI=1S/C3H3N3/c4-1-3(6)2-5/h6H3,58.71924,30.18338,
2057,[N:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:3]1=[N:4][C@:2]1([C:5]#[N:6])[H:9])([H:7])[H:8],"InChI=1S/C3H3N3/c4-1-3(6)2-5/h3H,6H2","InChI=1S/C3H3N3/c4-1-2-3(5)6-2/h2H,(H2,5,6)/t2-/m0/s1",94.30481,16.69716,
2058,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[c:5]1[H:9],[O:1]1[C:3](=[C:2]([H:6])[H:7])[C:4]([H:8])=[C:5]1[H:9],InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H,"InChI=1S/C4H4O/c1-4-2-3-5-4/h2-3H,1H2",85.96099,42.16503,
2059,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[c:5]1[H:9],[O:1]=[C:5]([C:4]([C:3]#[C:2][H:6])([H:7])[H:8])[H:9],InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H,"InChI=1S/C4H4O/c1-2-3-4-5/h1,4H,3H2",87.77176,32.59193,
2060,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[c:5]1[H:9],[O+:1]1=[C-:5][C:4]([H:8])=[C:3]([H:7])[C:2]1([H:6])[H:9],InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H,"InChI=1S/C4H4O/c1-2-4-5-3-1/h1-2H,3H2",119.12413000000001,54.80134,
2061,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[c:5]1[H:9],[O+:1]1=[C-:2][C:3]([H:6])([H:7])[C:4]([H:8])=[C:5]1[H:9],InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H,"InChI=1S/C4H4O/c1-2-4-5-3-1/h1,3H,2H2",65.59501999999999,57.14321999999999,Singlet_Carbene_Intra_Disproportionation
2062,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[c:5]1[H:9],[O:1]=[C:5]([C:4](=[C:3]=[C:2]([H:6])[H:7])[H:8])[H:9],InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H,"InChI=1S/C4H4O/c1-2-3-4-5/h3-4H,1H2",69.3886,27.97025,
2063,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[c:5]1[H:9],[O:1]1[C@@:2]2([H:6])[C:3]([H:7])=[C:4]([H:8])[C@@:5]12[H:9],InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H,"InChI=1S/C4H4O/c1-2-4-3(1)5-4/h1-4H/t3-,4+",110.7652,66.48011,Intra_2+2_cycloaddition_Cd
2064,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([c:2]1[c:3]([H:10])[o+:4][c-:5][n:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2,5H,1H3",71.32715,31.060370000000002,
2065,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([n+:6]1[c-:2][c:3]([H:10])[o:4][c:5]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-5-2-3-6-4-5/h3-4H,1H3",121.20964,56.29705,
2066,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[N:6][C:5](=[O:4])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-2-3-5-4-6/h2,4H,1H3",83.97363,26.476229999999997,
2067,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C-:3]=[O+:4][C:5]([H:11])=[N:6]1)([H:8])[H:9].[H:7][H:10],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H3NO.H2/c1-4-2-6-3-5-4;/h3H,1H2;1H",127.12063,85.07751999999999,
2068,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:6][C@:5]2([H:11])[C@@:3]1([H:10])[O:4]2)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-2-3-4(5-2)6-3/h3-4H,1H3/t3-,4-/m0/s1",91.56785,66.28161,
2069,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2](=[N:6][C:5](=[O:4])[H:11])[C:3]1([H:7])[H:10],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c6-3-5-4-1-2-4/h3H,1-2H2",88.77649,37.57143,
2070,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:3](=[O:4])[H:10])[C:5]([H:11])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(3-6)2-5-4/h2-3H,1H3/t4-/m1/s1",88.13478,44.42049,ketoenol
2071,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]=[O+:4][C:5]([H:11])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h3-4H,1H3/t4-/m0/s1",64.19996,58.56544,Singlet_Carbene_Intra_Disproportionation
2072,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:7])([H:10])[O:4][C:5]([H:11])=[N:6]1)([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h3H,1-2H2",93.48244,15.05125,
2073,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C-:3]([H:10])[O+:4]=[C:5]([H:11])[N:6]1[H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3,5H,1H2",85.00402,59.287169999999996,
2074,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[O:4]=[C:5]=[N:6][H:11],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C3H4.CHNO/c1-3-2;2-1-3/h1H,2H3;2H",104.2078,27.41868,
2075,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([O-:4])[H:10])[N+:6]#[C:5][H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(3-6)5-2/h2-3H,1H3",49.37661,49.09497,
2076,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[O:4])[H:10])([H:7])([H:8])[H:9].[C:5](#[N:6])[H:11],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C3H4O.CHN/c1-2-3-4;1-2/h2H,1H3;1H",88.77755,28.066209999999998,
2077,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])(/[C:4](=[C:5](\[O:6][H:15])[H:16])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3","InChI=1S/C5H10O/c1-5(2)3-4-6/h3-6H,1-2H3/b4-3-",72.23442,10.803989999999999,ketoenol
2078,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])[H:10])([H:8])[H:9].[C:3]([H:7])([H:11])([H:12])[H:13],"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3","InChI=1S/C4H6O.CH4/c1-2-3-4-5;/h2,4H,1,3H2;1H4",115.05373,20.21065,
2079,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:15].[C:2](\[C:3]([H:11])([H:12])[H:13])(=[C:4](/[C:5](=[O:6])[H:16])[H:14])[H:10],"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3","InChI=1S/C4H6O.CH4/c1-2-3-4-5;/h2-4H,1H3;1H4/b3-2+;",91.31671999999999,15.442739999999999,
2080,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([C:3]([H:11])([H:12])[H:13])[C:4]([C:5](=[O:6])[H:16])([H:14])[H:15],"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3","InChI=1S/C4H6O.CH4/c1-2-3-4-5;/h4H,3H2,1H3;1H4",93.80476999999999,86.42071,
2081,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3","InChI=1S/C4H10.CO/c1-4(2)3;1-2/h4H,1-3H3;",86.24861,-2.60416,"1,2_Insertion_CO"
2082,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([H:10])[H:15])([H:7])([H:8])[H:9].[C:4](=[C:5]=[O:6])([H:14])[H:16],"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3","InChI=1S/C3H8.C2H2O/c1-3-2;1-2-3/h3H2,1-2H3;1H2",87.61416,16.68356,
2083,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:6][C:5](=[C:4]([H:14])[H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3","InChI=1S/C5H10O/c1-4-6-5(2)3/h4-5H,1H2,2-3H3",90.25573,14.558979999999998,ketoenol
2084,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:6][C:5]([H:12])([H:13])[C:4]([H:11])=[C:3]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-3H,4H2,1H3",45.46312,12.68079,
2085,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:8])([H:10])[C:4]([H:11])=[C:5]([H:12])[N:6]1[H:13])([H:7])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2,4,6H,1,3H2",92.15035,22.30203,
2086,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C-:3]([H:10])[C:4]([H:8])([H:11])[C+:5]([H:12])[N:6]1[H:13])([H:7])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h3-4,6H,1-2H2",94.77589,73.82959,
2087,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]=[C:4]([H:11])[C+:5]([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2,4-6H,1H3/t5-/m0/s1",71.69547,68.55075,Singlet_Carbene_Intra_Disproportionation
2088,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:13])[C:3]([H:10])=[C:4]([H:11])[C:5]([H:12])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-5H,1H3/t5-/m0/s1",46.265209999999996,17.51211,
2089,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C+:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c-:5][n:6]1[H:13])([H:7])[H:9].[H:8][H:12],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H5N.H2/c1-5-3-2-4-6-5;/h2-3,6H,1H2;1H",134.68305,81.16051999999999,
2090,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:13])[C:5]([H:12])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h3-4H,2H2,1H3",45.48455,15.07138,
2091,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C-:3][C:4]([H:10])([H:11])[C+:5]([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h4,6H,2H2,1H3",81.70558,79.70947,
2092,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5][N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h3,6H,2H2,1H3",60.09081,50.76616,Singlet_Carbene_Intra_Disproportionation
2093,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C+:2]1[C:3]([H:10])=[C-:4][C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h3,6H,4H2,1H3",70.21953,63.71059,Singlet_Carbene_Intra_Disproportionation
2094,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:3]1([H:10])[C:2][N:6]([H:13])[C:5]([H:12])=[C:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-3,5-6H,1H3/t5-/m1/s1",81.73378000000001,56.019059999999996,
2095,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C+:2]1[C:3]([H:10])([H:11])[C-:4]=[C:5]([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h4,6H,3H2,1H3",81.14363,77.16198,
2096,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])=[C-:5][N+:6]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-3H,6H2,1H3",88.07033,79.1676,
2097,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:6][C:5]([H:12])=[C:4]([H:11])[C:3]1([H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2,4H,3H2,1H3",46.263009999999994,14.2924,
2098,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:11])[C:3]([H:10])=[C:4]=[C:5]([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h3-6H,1H3/t5-/m0/s1",92.94584,73.38676,
2099,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[N:6]([C:5](=[C:4]([H:10])[H:11])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-4-6-5(2)3/h4,6H,1H2,2H3",101.78211999999999,102.50984,
2100,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[N:6][H:13])[H:10])([H:7])([H:8])[H:9].[C:4](#[C:5][H:12])[H:11],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C3H5N.C2H2/c1-2-3-4;1-2/h2,4H,1H3;1-2H",142.6495,75.52847,
2101,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[C:4]([H:11])[C:5]([H:8])([H:12])[N:6]1[H:13])([H:7])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-3,6H,1,4H2",94.78827,22.25624,Intra_ene_reaction
2102,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[C:4]([H:11])[C:5]([H:12])=[N:6]1)([H:7])[H:9].[H:8][H:13],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H5N.H2/c1-5-3-2-4-6-5;/h2-4H,1H2;1H",97.98735,43.55131,
2103,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2]([C:3](=[C:4]=[C:5]([H:11])[H:12])[H:10])=[N:6]\[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-3-4-5(2)6/h4,6H,1H2,2H3/b6-5+",103.61728000000001,41.90733,
2104,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:6](=[C:5]=[C:3]([C:4]([H:11])([H:12])[H:13])[H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-5(2)6-3/h1,5H,2-3H3/t5-/m0/s1","InChI=1S/C5H8O/c1-3-4-5-6-2/h3,5H,1-2H3",64.53695,-0.3177,
2105,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:5](/[C:4]([H:11])([H:12])[H:13])[C:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-5(2)6-3/h1,5H,2-3H3/t5-/m0/s1","InChI=1S/C5H8O/c1-5(2)4-6-3/h1,4H,2-3H3/b5-4+",76.0164,48.16753,
2106,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:5]#[C:6][H:14])[H:10])([H:7])[H:8].[C:4]([H:9])([H:11])([H:12])[H:13],"InChI=1S/C5H8O/c1-4-5(2)6-3/h1,5H,2-3H3/t5-/m0/s1","InChI=1S/C4H4O.CH4/c1-3-4-5-2;/h1,4H,2H2;1H4",90.27363000000001,61.98585,
2107,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3]([C:4]([H:11])([H:12])[H:13])=[C:5](/[C:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-5(2)6-3/h1,5H,2-3H3/t5-/m0/s1","InChI=1S/C5H8O/c1-4-5(2)6-3/h1,4H,2-3H3/b5-4+",62.75136,39.4159,
2108,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:7])[H:8].[C:3]([C:4]([H:11])([H:12])[H:13])(=[C:5]=[C:6]([H:9])[H:14])[H:10],"InChI=1S/C5H8O/c1-4-5(2)6-3/h1,5H,2-3H3/t5-/m0/s1","InChI=1S/C4H6.CH2O/c1-3-4-2;1-2/h4H,1H2,2H3;1H2",45.8471,4.35784,Retroene
2109,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[O:1]([C:2]1=[N:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])[H:7],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)",53.57236999999999,15.849260000000001,ketoenol
2110,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[O:1]1[C:2]([N:3]([C:4]([C:5]([H:10])([H:11])[H:12])([H:8])[H:9])[H:7])=[N:6]1,"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-2-4-3-5-6-3/h2H2,1H3,(H,4,5)",95.01719,86.01902,
2111,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C-:5]([H:10])[N+:6]1([H:11])[H:12],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1H,2,4H2,(H,5,6)",86.69474,71.12871,
2112,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[C:5](=[N:6][H:12])([H:10])[H:11].[N:3](=[C:4]([H:8])[H:9])[H:7].[O+:1]#[C-:2],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/2CH3N.CO/c3*1-2/h2*2H,1H2;",106.10511000000001,58.81605,
2113,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[O:1]([C@:2]12[N:3]([H:7])[C:4]([H:8])([H:9])[C@@:5]1([H:11])[N:6]2[H:12])[H:10],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H6N2O/c6-3-2(5-3)1-4-3/h2,4-6H,1H2/t2-,3+/m1/s1",131.08848,67.81353,
2114,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[H:10][H:11].[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C-:5]=[N+:6]1[H:12],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H4N2O.H2/c6-3-4-1-2-5-3;/h5H,1H2,(H,4,6);1H",81.11635,55.7256,
2115,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[H:8][H:10].[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:9])[c:5]([H:11])[n:6]1[H:12],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H4N2O.H2/c6-3-4-1-2-5-3;/h1-2H,(H2,4,5,6);1H",108.98621000000001,18.6307,
2116,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[H:10][H:12].[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:11])=[N:6]1,"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H4N2O.H2/c6-3-4-1-2-5-3;/h1H,2H2,(H,5,6);1H",101.48111,29.05282,
2117,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[O:1]=[C:2]1[N+:3]([H:7])([H:10])[C:4]([H:8])([H:9])[C-:5]([H:11])[N:6]1[H:12],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H5N2O/c6-3-4-1-2-5-3/h1H,2H2,(H2,4,5,6)/q-1/p+1",83.94638,80.4503,
2118,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[O:1]([C+:2]1[N:3]([H:7])[C-:4]([H:8])[C:5]([H:10])([H:11])[N:6]1[H:12])[H:9],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1,4-6H,2H2",120.97231000000001,81.56928,
2119,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[C:4]1([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12].[O:1]=[C:2]=[N:3][H:7],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C2H5N.CHNO/c1-2-3-1;2-1-3/h3H,1-2H2;2H",96.90024,42.34697,
2120,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[O:1]=[C:2]([N:6]([C:5](/[C:4](=[N:3]/[H:7])[H:8])([H:10])[H:11])[H:12])[H:9],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H6N2O/c4-1-2-5-3-6/h1,3-4H,2H2,(H,5,6)/b4-1+",103.48833,22.15536,
2121,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[O:1]=[C:2]([N:3]([C:4]([H:8])([H:9])[H:11])[H:7])[N+:6](=[C-:5][H:10])[H:12],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-4-3(6)5-2/h1,4H,2H3,(H,5,6)",87.48371999999999,61.88061999999999,
2122,[C:1]([C:2]#[C:3][C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C+:1]([C:2]#[C:3][C:4](=[C-:5][H:9])[H:8])([H:6])[H:7],"InChI=1S/C5H4/c1-3-5-4-2/h1H,2H3","InChI=1S/C5H4/c1-3-5-4-2/h1,3H,2H2",135.44888,73.50465,
2123,[C:1]([C:2]#[C:3][C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1]([C:2]12[C:3]3=[C:4]1[C:5]23[H:9])([H:6])([H:7])[H:8],"InChI=1S/C5H4/c1-3-5-4-2/h1H,2H3","InChI=1S/C5H4/c1-5-2-3(5)4(2)5/h2H,1H3",89.3558,73.6409,
2124,[C:1]([C:2]#[C:3][C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[C+:3][C:4]#[C-:5])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C5H4/c1-3-5-4-2/h1H,2H3","InChI=1S/C5H4/c1-3-5-4-2/h3H,1H3",106.68766000000001,52.0439,
2125,[C:1]([C:2]#[C:3][C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1]([C:3](=[C:2])[C:4]#[C:5][H:9])([H:6])([H:7])[H:8],"InChI=1S/C5H4/c1-3-5-4-2/h1H,2H3","InChI=1S/C5H4/c1-4-5(2)3/h1H,2H3",63.46856999999999,57.567119999999996,
2126,[C:1]([C:2]#[C:3][C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]=[C:3]=[C:4]=[C:5]([H:8])[H:9])([H:6])[H:7],"InChI=1S/C5H4/c1-3-5-4-2/h1H,2H3",InChI=1S/C5H4/c1-3-5-4-2/h1-2H2,81.44575999999999,9.1094,Intra_ene_reaction
2127,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([O+:5]=[C-:6][H:16])([H:13])[H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-6-4-5/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-5(2)4-6-3/h3,5H,4H2,1-2H3",82.42713,47.47759,
2128,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:3]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:2]1[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-5(2)3-6-4-5/h3-4H2,1-2H3",InChI=1S/C3H4O.C2H6/c1-2-4-3-1;1-2/h2-3H2;1-2H3,155.11319,98.24512,
2129,[O:1]([C:2]1([H:6])[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10])[H:5],[C:3]([H:7])[H:8].[O:1]([C:2](=[C:4]([H:9])[H:10])[H:6])[H:5],"InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2","InChI=1S/C2H4O.CH2/c1-2-3;/h2-3H,1H2;1H2",98.56073,101.4877,1+2_Cycloaddition
2130,[O:1]([C:2]1([H:6])[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10])[H:5],[O:1](/[C:2](=[C:4](\[C:3]([H:7])([H:8])[H:10])[H:9])[H:6])[H:5],"InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2","InChI=1S/C3H6O/c1-2-3-4/h2-4H,1H3/b3-2-",63.40663000000001,-11.131689999999999,
2131,[O:1]([C:2]1([H:6])[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10])[H:5],[H:6][H:9].[O:1]([C:2]1=[C:4]([H:10])[C:3]1([H:7])[H:8])[H:5],"InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2","InChI=1S/C3H4O.H2/c4-3-1-2-3;/h1,4H,2H2;1H",119.75752,50.940129999999996,
2132,[O:1]([C:2]1([H:6])[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10])[H:5],[H:5][H:6].[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10],"InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2",InChI=1S/C3H4O.H2/c4-3-1-2-3;/h1-2H2;1H,91.07468,28.14088,
2133,[O:1]([C:2]1([H:6])[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10])[H:5],[C:2]1([H:6])=[C:3]([H:7])[C:4]1([H:9])[H:10].[O:1]([H:5])[H:8],"InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2","InChI=1S/C3H4.H2O/c1-2-3-1;/h1-2H,3H2;1H2",80.74542,36.6372,
2134,[O:1]([C:2]1([H:6])[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10])[H:5],[O:1]([C:2][C:4]([C:3]([H:6])([H:7])[H:8])([H:9])[H:10])[H:5],"InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2","InChI=1S/C3H6O/c1-2-3-4/h4H,2H2,1H3",56.16916,32.958459999999995,
2135,[O:1]([C:2]([C:3]#[C:4][H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([C:2](=[C:3]=[C:4]([H:8])[H:9])[C:5]#[C:6][H:10])[H:7],"InChI=1S/C5H4O/c1-3-5(6)4-2/h1-2,5-6H","InChI=1S/C5H4O/c1-3-5(6)4-2/h1,6H,2H2",71.93779,-8.00658,
2136,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]([C:6][H:14])([H:13])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-4-3-5(2)6-4/h1,4-5H,3H2,2H3/t4-,5-/m0/s1",103.66959,66.48902,
2137,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([O+:5]=[C-:6][H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-4-3-5(4)6-2/h2,4-5H,3H2,1H3/t4-,5+/m0/s1",80.51736,48.23409,
2138,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])=[C:6]([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-5(2)3-4-6/h4H,1,3H2,2H3",65.88268000000001,-25.9572,
2139,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C4H4O.CH4/c1-2-4-3(1)5-4;/h3-4H,1H2;1H4/t3-,4+;/m1./s1",90.08105,72.4277,
2140,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:5][C@@:6]1([C:4][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h2,4-5H,3H2,1H3/t4-,5+/m0/s1",108.5746,70.15501,
2141,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([C@@:4]1([H:13])[O+:5]=[C-:6]1)([H:11])[H:12])[H:10])([H:8])[H:9].[H:7][H:14],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H6O.H2/c1-2-3-5-4-6-5;/h2,5H,1,3H2;1H/t5-;/m1./s1",109.91856000000001,61.1447,
2142,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4]([O-:5])(=[C+:6][H:14])[H:13],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C3H6.C2H2O/c1-3-2;1-2-3/h3H,1H2,2H3;1-2H",95.88695,71.55996,
2143,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]1([C:6](=[O:5])[H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5+/m0/s1",50.83917,-25.08728,
2144,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:6]1([H:14])[C@:4]([C:3][H:11])([H:13])[O:5]1)([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-3-5-4(2)6-5/h2,4-5H,3H2,1H3/t4-,5+/m1/s1",77.29284,68.85466,
2145,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:6]1([H:14])[C@:4]([C:3]([H:10])([H:11])[H:12])([H:13])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-3-5-4(2)6-5/h4-5H,1-2H3/t4-,5+/m1/s1",73.90718000000001,57.99983,
2146,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C-:4]([H:13])[O+:5]=[C:6]1[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h3-5H,2H2,1H3/t5-/m0/s1",58.20199,28.798109999999998,
2147,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:6](\[O:5][C:4](=[C:3]([H:11])[H:12])[H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-3-5-6-4-2/h3-5H,2H2,1H3/b5-3-",89.0389,-10.08509,
2148,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4][C@:6]1([O:5][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4-6H,2H2,1H3/t4-,5+/m0/s1",66.52959,62.93444,
2149,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O+:5]=[C-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h5H,2-3H2,1H3/t5-/m0/s1",60.9735,11.85355,
2150,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C-:4]=[O+:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h5H,2,4H2,1H3/t5-/m0/s1",60.31612,11.93934,
2151,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O+:4]=[C-:5][O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-2-3-6-4-5/h5H,2-3H2,1H3",76.45463000000001,43.1678,
2152,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3](=[O:4])([H:12])[H:13].[C:5](=[O:6])([H:9])[H:14],"InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3",InChI=1S/C2H4.2CH2O/c3*1-2/h1-2H2;2*1H2,96.33116,61.14747,
2153,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@@:5]1([O:6][H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-3-2-6-4(3)5/h3-5H,2H2,1H3/t3-,4+/m1/s1",99.02088,23.61101,
2154,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3](=[O:4])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:14],"InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3","InChI=1S/C3H6O.CO.H2/c1-2-3-4;1-2;/h3H,2H2,1H3;;1H",72.07638,28.4671,
2155,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([O:6][H:9])[H:14],"InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c5-4-2-1-3-6-4/h4-5H,1-3H2/t4-/m1/s1",85.51422,7.34244,
2156,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3]([O:4][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3","InChI=1S/C3H8O.CO/c1-2-3-4;1-2/h4H,2-3H2,1H3;",70.34691,11.54475,"1,2_Insertion_CO"
2157,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3](=[O+:4][C:5](=[O:6])[H:14])[H:13].[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3",InChI=1S/C2H2O2.C2H6/c1-4-2-3;1-2/h1-2H;1-2H3,91.35441999999999,84.22799,
2158,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[H:7][H:8].[O:1]=[C:2]=[C:3]1[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2",InChI=1S/C4H4O2.H2/c5-1-4-2-6-3-4;/h2-3H2;1H,81.08334,32.002990000000004,
2159,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[O:1]=[C:2]([C@@:3]([C:4]([O:5][H:12])([H:9])[H:10])([C:6][H:11])[H:8])[H:7],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2","InChI=1S/C4H6O2/c1-4(2-5)3-6/h1-2,4,6H,3H2/t4-/m0/s1",77.12536,72.89154,
2160,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[O:1]([C:2](=[C:3]1[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7])[H:8],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2","InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,5H,2-3H2",69.48926,9.19139,ketoenol
2161,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[O:1](/[C:2](=[C:3](\[C@@:4]1([H:9])[O:5][C:6]1([H:11])[H:12])[H:8])[H:7])[H:10],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h1-2,4-5H,3H2/b2-1-/t4-/m1/s1",84.48449000000001,8.84527,
2162,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[H:11][H:12].[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[O+:5]=[C-:6]1)[H:7],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2","InChI=1S/C4H4O2.H2/c5-1-4-2-6-3-4;/h1,4H,2H2;1H/t4-;/m0./s1",84.93349,68.78953,
2163,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[O:1]([C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2","InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h4-5H,2-3H2",80.08784,51.39886,
2164,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:3]1([H:8])([H:9])[C:4]([H:7])([H:10])[O:5][C:6]1([H:11])[H:12].[O+:1]#[C-:2],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2",InChI=1S/C3H6O.CO/c1-2-4-3-1;1-2/h1-3H2;,118.05658999999999,-2.21437,"1,2_Insertion_CO"
2165,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[O:1]=[C:2]([C:3]([C:6]([O+:5]=[C-:4][H:10])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2","InChI=1S/C4H6O2/c1-6-4-2-3-5/h1,3H,2,4H2",84.53859,49.898990000000005,
2166,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:4](=[O:5])([H:9])[H:10].[O:1]=[C:2]([C:3](=[C:6]([H:11])[H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2","InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h2-3H,1H2;1H2",49.35454,5.70821,2+2_cycloaddition
2167,[O:1]([C:2]([C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[C:3]1([H:9])([H:10])[C:4]([H:6])=[C:5]1[H:11].[O:1]=[C:2]([H:7])[H:8],"InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2","InChI=1S/C3H4.CH2O/c1-2-3-1;1-2/h1-2H,3H2;1H2",80.97316,38.64398,
2168,[O:1]([C:2]([C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[C:3](=[C:4]=[C:5]([H:6])[H:11])([H:9])[H:10].[O:1]=[C:2]([H:7])[H:8],"InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2",InChI=1S/C3H4.CH2O/c1-3-2;1-2/h1-2H2;1H2,42.484590000000004,15.750160000000001,Retroene
2169,[O:1]([C:2]([C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[C:3]([C:4]#[C:5][H:11])([H:6])([H:9])[H:10].[O:1]=[C:2]([H:7])[H:8],"InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2","InChI=1S/C3H4.CH2O/c1-3-2;1-2/h1H,2H3;1H2",87.67836,15.440570000000001,
2170,[O:1]([C:2]([C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[C:4](#[C:5][H:11])[H:6].[O:1]=[C:2]([C:3]([H:8])([H:9])[H:10])[H:7],"InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2","InChI=1S/C2H4O.C2H2/c1-2-3;1-2/h2H,1H3;1-2H",89.25965,12.0938,
2171,[O:1]([C:2]([C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3](=[C:4]=[C:5]([H:9])[H:11])[H:10])([H:7])[H:8])[H:6],"InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2","InChI=1S/C4H6O/c1-2-3-4-5/h3,5H,1,4H2",81.58761,-0.60121,
2172,[O:1]([C:2]([C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]1[C:2]([H:7])([H:8])[C:3]([H:9])([H:10])[C:4]1=[C:5]([H:6])[H:11],"InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2",InChI=1S/C4H6O/c1-4-2-3-5-4/h1-3H2,73.68049,-8.029539999999999,
2173,[O:1]([C:2]([C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:5](=[C:4]1[C:2]([H:7])([H:8])[C:3]1([H:9])[H:10])[H:11])[H:6],"InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2","InChI=1S/C4H6O/c5-3-4-1-2-4/h3,5H,1-2H2",78.66066,2.00915,
2174,[O:1]([C:2]([C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3]([C:5](=[C:4])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],"InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2","InChI=1S/C4H6O/c1-2-3-4-5/h2,5H,3-4H2",57.56743,49.892309999999995,Singlet_Carbene_Intra_Disproportionation
2175,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N:1](=[C:2]1\[C:3]([H:9])=[C:4]([H:10])[C:5]([H:7])([H:11])[O:6]1)\[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4+",95.57625,4.80255,
2176,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N:1]([C:2]1=[O+:6][C-:5]=[C:4]([H:10])[C:3]1([H:9])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1H,2,5H2",86.78543,57.272490000000005,
2177,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[C@:4]1([C:5](=[O:6])[H:11])[H:10])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-1-3(4)2-6/h1-3H,5H2/t3-/m0/s1",62.422540000000005,44.25445,ketoenol
2178,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N+:1]1([H:7])([H:8])[C:2]([O:6][C:5](=[C:4]([H:9])[H:10])[H:11])=[C-:3]1,"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c1-2-6-4-3-5-4/h2H,1,5H2",103.34524,102.88447,
2179,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,2,5H2",87.29658,35.74177,
2180,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N:1]([C:2]([C:3](=[C:4]=[C:5]([H:10])[H:11])[H:9])=[O:6])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c1-2-3-4(5)6/h3H,1H2,(H2,5,6)",63.57703000000001,10.24269,
2181,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N+:1]([C:2]1=[C:3]=[C:4]([H:10])[C-:5]([H:11])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H4NO/c5-4-2-1-3-6-4/h1,3H,5H2/q-1/p+1",87.92806999999999,80.91121,
2182,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[C:4]([H:10])([H:11])[C-:5]=[O+:6]1)([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h2H,1,5H2",60.63819,54.035630000000005,Singlet_Carbene_Intra_Disproportionation
2183,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[O:4])([H:7])([H:8])[H:9].[C:5]([O:6][H:13])([H:10])([H:11])[H:12],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C2H3NO.CH4O/c1-3-2-4;1-2/h1H3;2H,1H3",88.10615,17.025270000000003,
2184,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2](/[C:3]([O:4][H:12])=[C:5](\[O:6][H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C3H7NO2/c1-4-3(6)2-5/h2,4-6H,1H3/b3-2+",65.49123,27.50869,ketoenol
2185,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3](=[O:4])[H:13])[H:10])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:11])[H:12],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C2H5NO.CH2O/c1-3-2-4;1-2/h2H,1H3,(H,3,4);1H2",93.78335,21.63263,
2186,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N+:2]([C:3]([O-:4])=[C:5]([O:6][H:13])[H:11])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C3H7NO2/c1-4-3(6)2-5/h2,4-6H,1H3",81.22407,45.921490000000006,
2187,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3]1\[O:4][C@:5]1([O:6][H:13])[H:11])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C3H5NO2.H2/c1-4-2-3(5)6-2;/h3,5H,1H3;1H/b4-2-;/t3-;/m1./s1",88.43658,61.18489,
2188,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9].[H:12][H:13],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C3H5NO2.H2/c1-4-3(6)2-5;/h2H,1H3,(H,4,6);1H",86.41441999999999,20.53495,
2189,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([O:4]/[C:3](=[N:2]/[H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C3H7NO2/c1-6-3(4)2-5/h4-5H,2H2,1H3/b4-3+",76.4068,16.6042,ketoenol
2190,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C-:3]=[O+:4][C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C3H7NO2/c1-4-2-6-3-5/h4-5H,3H2,1H3",96.37824,44.86099,
2191,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3]1\[O:4][C:5]1([H:11])[H:12])([H:7])([H:8])[H:9].[O:6]([H:10])[H:13],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C3H5NO.H2O/c1-4-3-2-5-3;/h2H2,1H3;1H2/b4-3-;",64.87472,50.45994,
2192,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:4]([H:10])[C:5]([H:11])([H:12])[N:6]([H:13])[O:3]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-4-2-3-5-6-4/h2,5H,3H2,1H3",72.62248000000001,27.718290000000003,ketoenol
2193,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:4](=[C:2]=[O:3])[H:10])([H:7])([H:8])[H:9].[C:5](=[N:6][H:13])([H:11])[H:12],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H4O.CH3N/c1-2-3-4;1-2/h2H,1H3;2H,1H2",79.56241999999999,15.897720000000001,
2194,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C-:2]#[O+:3].[C:1]([N:6]([C:4](=[C:5]([H:11])[H:12])[H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H7N.CO/c1-3-4-2;1-2/h3-4H,1H2,2H3;",117.31653999999999,0.05686,
2195,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C-:2]#[O+:3].[C:1]([C:5](/[C:4](=[N:6]\[H:13])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H7N.CO/c1-2-3-4;1-2/h3-4H,2H2,1H3;/b4-3-;",108.3904,-9.05803,
2196,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([O-:3])=[C:4]([N:6]([C+:5]([H:11])[H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-4(6)3-5-2/h3,5H,2H2,1H3",44.14589,12.41082,
2197,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([O-:3])=[C+:4][H:10])([H:7])([H:8])[H:9].[C:5](=[N:6][H:13])([H:11])[H:12],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H4O.CH3N/c1-3(2)4;1-2/h1H,2H3;2H,1H2",85.07167,85.08292,
2198,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:8])[H:9].[C:4]1([H:7])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C2H5N.C2H2O/c1-2-3-1;1-2-3/h3H,1-2H2;1H2",88.29576,28.54293,
2199,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:7])([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1",94.9456,11.26443,
2200,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C+:2]([O:3][H:12])[C@@:4]1([H:10])[C-:5]([H:11])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h2,4-6H,1H3/t4-/m1/s1",103.05078,74.46559,
2201,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@:2]12[O:3][C:5]([H:11])([H:12])[C@@:4]1([H:10])[N:6]2[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-4-3(5-4)2-6-4/h3,5H,2H2,1H3/t3-,4+/m1/s1",101.51909,30.73767,
2202,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C-:5]([H:11])[N+:6]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h2,4H,5H2,1H3/t4-/m1/s1",66.34225,51.49879,
2203,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:10])=[C:4]1/[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h5-6H,2H2,1H3/b4-3+",72.64156,23.204320000000003,ketoenol
2204,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:7])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-6H,1-2H2/t4-/m1/s1",66.10387,13.305620000000001,ketoenol
2205,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([O-:3])=[C+:4][N:6]([C:5]([H:10])([H:11])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-4(6)3-5-2/h5H,1-2H3",76.13589,22.840310000000002,
2206,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([O-:3])=[C:4]1[C:5]([H:11])([H:12])[N+:6]1([H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h5-6H,2H2,1H3",60.647490000000005,39.40737,
2207,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:13])([C@@:4]1([H:10])[C:5]([H:12])=[N:6]1)[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h2-4,6H,1H3/t3-,4-/m1/s1",82.52034,23.92871,
2208,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([N:6]([C:5][H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-4(6)3-5-2/h2,5H,3H2,1H3",74.47293,32.64159,
2209,[N:1]([c:2]1=[n:3][c:4]([H:9])[n:5][o:6]1)([H:7])[H:8],[C:4](#[N+:5][O-:6])[H:9].[N:1]([C:2]#[N:3])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)",InChI=1S/CH2N2.CHNO/c2-1-3;1-2-3/h2H2;1H,77.06824,57.620380000000004,
2210,[N:1]([c:2]1=[n:3][c:4]([H:9])[n:5][o:6]1)([H:7])[H:8],[N:1]([C:2]([N:3]=[C:4]=[N:5][H:9])=[O:6])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)","InChI=1S/C2H3N3O/c3-1-5-2(4)6/h3H,(H2,4,6)",45.725640000000006,-25.55034,
2211,[N:1]([c:2]1=[n:3][c:4]([H:9])[n:5][o:6]1)([H:7])[H:8],[N:1]([C:2]([N:3]1[C:4]([H:9])=[N:5]1)=[O:6])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)","InChI=1S/C2H3N3O/c3-2(6)5-1-4-5/h1H,(H2,3,6)",64.76116999999999,39.78236,ketoenol
2212,[N:1]([c:2]1=[n:3][c:4]([H:9])[n:5][o:6]1)([H:7])[H:8],[N:1](=[c:2]1\[n:3][c:4]([H:9])[n:5]([H:8])[o:6]1)\[H:7],"InChI=1S/C2H3N3O/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)","InChI=1S/C2H3N3O/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)",111.7875,24.724970000000003,
2213,[N:1]([c:2]1=[n:3][c:4]([H:9])[n:5][o:6]1)([H:7])[H:8],[N:1](=[c:2]1/[n:3]([H:8])[c:4]([H:9])[n:5][o:6]1)\[H:7],"InChI=1S/C2H3N3O/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)","InChI=1S/C2H3N3O/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)",59.38595,12.25083,
2214,[N:1]([c:2]1=[n:3][c:4]([H:9])[n:5][o:6]1)([H:7])[H:8],[N:1]([C:2]#[N+:3][C:4](=[N:5][O-:6])[H:9])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)","InChI=1S/C2H3N3O/c3-1-4-2-5-6/h2-3,6H",85.32751,74.61344,
2215,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:1](=[C:2])([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],"InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1","InChI=1S/C4H5N/c1-2-4-3-5-4/h2,4-5H,3H2/t4-/m0/s1",60.307809999999996,50.0943,Singlet_Carbene_Intra_Disproportionation
2216,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C+:1](=[C:2]=[C:3]([N:5]([C-:4]([H:8])[H:9])[H:10])[H:7])[H:6],"InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1","InChI=1S/C4H5N/c1-3-4-5-2/h1,4-5H,2H2",48.39467,18.66593,
2217,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:1](=[C:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]1[H:10])([H:6])[H:7],"InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1","InChI=1S/C4H5N/c1-2-4-3-5-4/h5H,1,3H2",85.05223000000001,6.9954600000000005,
2218,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:1](=[C-:2][C@@:3]1([H:7])[C+:4]([H:8])[N:5]1[H:10])([H:6])[H:9],"InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1","InChI=1S/C4H5N/c1-2-4-3-5-4/h3-5H,1H2/t4-/m0/s1",123.42971000000001,62.58445,
2219,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:1](#[C:2][C:3]([N:5]([C:4][H:9])[H:10])([H:7])[H:8])[H:6],"InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1","InChI=1S/C4H5N/c1-3-4-5-2/h1-2,5H,4H2",74.45729,31.019140000000004,
2220,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C+:1](=[C:2]=[C-:3][N:5]([C:4]([H:7])([H:8])[H:9])[H:10])[H:6],"InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1","InChI=1S/C4H5N/c1-3-4-5-2/h1,5H,2H3",72.02565,19.58108,
2221,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:1](#[C:2][C@@:3]1([H:7])[C-:4]([H:8])[N+:5]1([H:9])[H:10])[H:6],"InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1","InChI=1S/C4H5N/c1-2-4-3-5-4/h1,3-4H,5H2/t4-/m0/s1",66.93997,53.54042,
2222,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:1](/[C:2](=[C:3]1/[C:4]([H:8])([H:9])[N:5]1[H:10])[H:7])[H:6],"InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1","InChI=1S/C4H5N/c1-2-4-3-5-4/h1-2,5H,3H2/b4-2-",81.89848,57.434419999999996,
2223,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:1](#[C:2][C:4](/[C:3](=[N:5]/[H:10])[H:7])([H:8])[H:9])[H:6],"InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1","InChI=1S/C4H5N/c1-2-3-4-5/h1,4-5H,3H2/b5-4+",88.23796999999999,-17.19538,
2224,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([C:5]([H:12])([H:13])[H:14])=[C:6]([H:16])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9].[H:15][H:17],"InChI=1S/C5H12O/c1-5(2)4-6-3/h5H,4H2,1-3H3","InChI=1S/C5H10O.H2/c1-5(2)4-6-3;/h1,4H2,2-3H3;1H",114.62056000000001,29.85295,
2225,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:15])([H:7])([H:8])[H:9].[C:3]1([H:10])([H:11])[C:4]([C:6]([H:16])([H:17])[H:18])([H:12])[C:5]1([H:13])[H:14],"InChI=1S/C5H12O/c1-5(2)4-6-3/h5H,4H2,1-3H3","InChI=1S/C4H8.CH4O/c1-4-2-3-4;1-2/h4H,2-3H2,1H3;2H,1H3",96.01187,20.71516,
2226,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:17].[C:4]([C:5]([H:13])([H:14])[H:15])(=[C:6]([H:16])[H:18])[H:12].[O:2]=[C:3]([H:10])[H:11],"InChI=1S/C5H12O/c1-5(2)4-6-3/h5H,4H2,1-3H3","InChI=1S/C3H6.CH2O.CH4/c1-3-2;1-2;/h3H,1H2,2H3;1H2;1H4",97.71446,25.288710000000002,
2227,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])[H:9].[H:7][H:10],"InChI=1S/C5H12O/c1-5(2)4-6-3/h5H,4H2,1-3H3","InChI=1S/C5H10O.H2/c1-5(2)4-6-3;/h4-5H,3H2,1-2H3;1H",83.54299,83.56322,
2228,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][H:11])([H:7])([H:8])[H:9].[C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])([H:10])[H:12],"InChI=1S/C5H12O/c1-5(2)4-6-3/h5H,4H2,1-3H3","InChI=1S/C3H8.C2H4O/c2*1-3-2/h3H2,1-2H3;1H,2H3",83.26021999999999,66.72494,
2229,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4][C:6]([H:16])([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C5H12O/c1-5(2)4-6-3/h5H,4H2,1-3H3","InChI=1S/C4H8O.CH4/c1-3-4-5-2;/h4H2,1-2H3;1H4",92.91594,87.50743,
2230,[C:1]([C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:12])[H:14])([H:9])[H:10])([H:6])([H:7])[H:8].[H:11][H:15],"InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3","InChI=1S/C4H8O.H2/c1-2-3-4-5;/h4H,2-3H2,1H3;1H",94.19747,16.670379999999998,
2231,[C:1]([C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:6])[H:7].[H:8][H:9],"InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3","InChI=1S/C4H8O.H2/c1-2-3-4-5;/h2,5H,1,3-4H2;1H",114.25929,30.76032,
2232,[C:1]([C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:11])([H:12])[H:14])([H:9])[H:10])([H:6])([H:7])[H:8].[C:4]([O:5][H:15])[H:13],"InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3","InChI=1S/C3H8.CH2O/c1-3-2;1-2/h3H2,1-2H3;1-2H",83.99335,67.64312,
2233,[C:1]([C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3](=[C:4]([H:13])[H:14])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8].[O:5]([H:11])[H:15],"InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3","InChI=1S/C4H8.H2O/c1-3-4-2;/h3H,1,4H2,2H3;1H2",67.82183,9.88969,"1,3_Insertion_ROR"
2234,[C:1]([C:2]#[C:3][C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]=[C:4]([C:5]([H:11])([H:12])[H:13])[H:10])([H:7])[H:9].[O:6]([H:8])[H:14],"InChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3/t5-/m1/s1","InChI=1S/C5H6.H2O/c1-3-5-4-2;/h4H,1H2,2H3;1H2",69.87994,20.78136,
2235,[C:1]([C:2]#[C:3][C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([C:5]([H:11])([H:12])[H:13])[H:10])[O:6][H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h3,6H,1-2H3",65.53627,0.19314,
2236,[C:1]([C:2]#[C:3][C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]1[C@:4]([C:5]([H:11])([H:12])[H:13])([H:10])[O:6]1)([H:7])[H:9].[H:8][H:14],"InChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3/t5-/m1/s1","InChI=1S/C5H6O.H2/c1-3-5-4(2)6-5;/h4H,1H2,2H3;1H/t4-;/m1./s1",106.75023999999999,49.53199,
2237,[C:1]([C:2]#[C:3][C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]([C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])[H:8])([H:7])[H:9],"InChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h4-6H,1H2,2H3/t5-/m1/s1",80.52077,0.9938600000000001,
2238,[C:1]([C:2]#[C:3][C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])([H:7])([H:8])[H:9],[C+:1]([C:2](=[C-:3][C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])[H:8])([H:7])[H:9],"InChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h3,5-6H,1H2,2H3/t5-/m1/s1",79.76849,58.29899,
2239,[O:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[C:3](=[O:4])=[C:5]=[C:6]([H:7])[H:10].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2",InChI=1S/C3H2O.CH2O/c1-2-3-4;1-2/h1H2;1H2,44.80574,22.58738,Retroene
2240,[O:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([C@@:3]([O:4][H:7])([C:5]#[C:6][H:10])[H:8])[H:9],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2","InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m0/s1",43.57604,4.30636,
2241,[O:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C@@:2]1([H:8])[C:3](=[O:4])[C:5]1=[C:6]([H:9])[H:10])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2","InChI=1S/C4H4O2/c1-2-3(5)4(2)6/h3,5H,1H2/t3-/m1/s1",71.58363,20.210160000000002,
2242,[O:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([O+:4]=[C-:3][C:5]#[C:6][H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2","InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,5H,4H2",102.83706,56.39292,
2243,[O:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](\[O:4][H:7])[C:5]#[C:6][H:10])[H:8])[H:9],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2","InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3,5-6H/b4-3-",67.28268,6.38349,ketoenol
2244,[O:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C@:3]1([O:4][H:7])[C:5]#[C:6][H:10],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2","InChI=1S/C4H4O2/c1-2-4(5)3-6-4/h1,5H,3H2/t4-/m0/s1",57.13021,21.634610000000002,
2245,[O:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C-:3]=[O+:4][C:5]#[C:6][H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2","InChI=1S/C4H4O2/c1-2-6-4-3-5/h1,5H,3H2",105.71176000000001,77.86015,
2246,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[O:1]=[C:2]([C:5]([C:4]([C:3]([H:6])([H:8])[H:9])([H:10])[H:11])([H:12])[H:13])[H:7],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2","InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3",71.88261999999999,-14.175070000000002,
2247,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[C:3](=[C:4]([H:10])[H:11])([H:8])[H:9].[O:1]([C:2](=[C:5]([H:12])[H:13])[H:7])[H:6],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2","InChI=1S/C2H4O.C2H4/c1-2-3;1-2/h2-3H,1H2;1-2H2",91.85875,18.983810000000002,
2248,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[C:2]1([H:7])=[C:5]([H:13])[C:4]([H:10])([H:11])[C:3]1([H:8])[H:9].[O:1]([H:6])[H:12],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2","InChI=1S/C4H6.H2O/c1-2-4-3-1;/h1-2H,3-4H2;1H2",71.03513000000001,17.28311,"1,3_Insertion_ROR"
2249,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[H:8][H:11].[O:1]([C@@:2]1([H:7])[C:3]([H:9])=[C:4]([H:10])[C:5]1([H:12])[H:13])[H:6],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2","InChI=1S/C4H6O.H2/c5-4-2-1-3-4;/h1-2,4-5H,3H2;1H/t4-;/m0./s1",128.44898,35.29385,
2250,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[H:6][H:13].[O:1]=[C:2]([C:5]1([H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2","InChI=1S/C4H6O.H2/c5-3-4-1-2-4;/h3-4H,1-2H2;1H",100.38691999999999,18.554479999999998,
2251,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[C:3]1([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13].[O:1]([C:2][H:7])[H:6],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2",InChI=1S/C3H6.CH2O/c1-2-3-1;1-2/h1-3H2;1-2H,107.6016,79.04835,
2252,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[H:6][H:7].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2",InChI=1S/C4H6O.H2/c5-4-2-1-3-4;/h1-3H2;1H,81.59100000000001,12.03245,
2253,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]([C:2](=[C:3]=[C:4]([H:10])[H:11])[H:9])(/[C:6](=[N:5]\[H:12])[H:13])([H:7])[H:8],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-3-4-5-6/h3,5-6H,1,4H2/b6-5-",78.70616,10.9194,
2254,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])=[C:4]([H:11])[C@@:6]1([H:13])[N:5]2[H:12],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-5-3-4(1)6-5/h1-2,4-6H,3H2/t4-,5+",64.60880999999999,25.890320000000003,
2255,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[N+:5]2([H:12])[C-:4]([H:11])[C@:6]12[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-5-4-6(5)3-1/h1,3-6H,2H2/t5-/m0/s1",90.66893,58.40271,
2256,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C:4]([H:11])([H:12])[N:5]=[C:6]1[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-2,5H,3-4H2",62.593109999999996,37.28086,
2257,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1](=[C:6](/[C:4](=[N:5]\[H:12])[H:11])[H:13])([H:7])[H:8].[C:2](#[C:3][H:10])[H:9],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C3H5N.C2H2/c1-2-3-4;1-2/h2-4H,1H2;1-2H/b4-3-;",106.11511999999999,37.79315,
2258,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C:4]([H:11])([H:13])[N:5]([H:12])[C:6]1,"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-2,6H,3-4H2",73.28341999999999,59.766490000000005,
2259,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1](=[C:2](/[C:3](=[C:4]([C:6](=[N:5]/[H:12])\[H:13])/[H:11])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-3-4-5-6/h2-6H,1H2/b4-3-,6-5-",57.74588000000001,-1.05256,
2260,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[C@@:4]2([H:11])[C@@:6]1([H:13])[N:5]3[H:12],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-3(1)6-5(2)4/h2-6H,1H2/t2-,3+,4-,5-/m1/s1",101.40181,32.59172,
2261,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]=[C:4]([H:11])[N:5]=[C:6]1[H:13].[H:10][H:12],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H5N.H2/c1-2-4-6-5-3-1;/h1,4-5H,2H2;1H",124.01483,59.81358,
2262,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C+:2]([H:9])[C:3]([H:10])=[C-:4][C@:6]1([N:5]([H:11])[H:12])[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c6-5-3-1-2-4-5/h1-2,5H,3,6H2/t5-/m0/s1",61.8221,50.57656,
2263,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N+:5]([H:12])([H:13])[C-:6]12,"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4H,3,6H2/t4-/m1/s1",63.46666999999999,51.83263,
2264,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@:6]1([N:5]([C:4][H:11])[H:12])[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-6-5-3-2-4-5/h1-3,5-6H,4H2/t5-/m1/s1",100.66385,52.97843,
2265,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])=[C:2]([H:9])[C:3]([H:10])=[C:4]([H:11])[N:5]([H:12])[C:6]1([H:8])[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-4,6H,5H2",56.97896,-14.539929999999998,
2266,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N+:5]1([H:12])[C-:6]2[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-5-4-6(5)3-1/h1-2,4-6H,3H2/t5-/m1/s1",117.84358999999999,58.19721,
2267,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])=[C:2]([H:9])[C@:3]2([H:10])[C@@:4]3([H:11])[N:5]2[C@@:6]13[H:13].[H:8][H:12],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H5N.H2/c1-2-4-5-3(1)6(4)5;/h1-5H;1H/t3-,4+,5-,6?;",97.51760999999999,51.181979999999996,
2268,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-2,4H,3,5H2",64.34548000000001,-15.63749,
2269,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h4-6H,2-3H2/t4-,5+",69.30743000000001,68.14496,Singlet_Carbene_Intra_Disproportionation
2270,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])=[C:6]([H:13])[N:5]([H:12])[C:4]([H:11])=[C:3]([H:10])[C:2]1([H:8])[H:9],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-6-5-3-1/h2-6H,1H2",58.124480000000005,-17.95972,
2271,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3][C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h4-6H,1-2H2/t4-,5+/m0/s1",67.03704,66.01345,Singlet_Carbene_Intra_Disproportionation
2272,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@@:3]3([H:10])[C@:4]([H:11])([N:5]3[H:12])[C@:6]12[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+",95.97746,44.33513,
2273,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1](=[C:2]([C@@:3]1([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:9])([H:7])[H:8],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-3-4-5(3)6-4/h2-6H,1H2/t3-,4+,5-",81.83123,39.98819,
2274,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:13])[C-:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C+:6]12,"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h2,4,6H,1,3H2/t4-/m1/s1",116.40066000000002,65.45158,
2275,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C+:2]([H:9])[C:3]([H:10])=[C-:4][N:5]([H:12])[C:6]1([H:11])[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-2,6H,3,5H2",72.34014,62.165690000000005,
2276,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[H:8][H:10].[O:1]=[C:2]1[C:3]([H:7])=[C:4]([H:9])[C:5]([H:11])([H:12])[O:6]1,InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H4O2.H2/c5-4-2-1-3-6-4;/h1-2H,3H2;1H",104.8796,26.713929999999998,
2277,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[O:1]([C@@:2]12[C:3]([H:7])([H:8])[C@:4]1([H:9])[C:5]([H:11])([H:12])[O:6]2)[H:10],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H6O2/c5-4-1-3(4)2-6-4/h3,5H,1-2H2/t3-,4-/m1/s1",116.43925,57.65085,
2278,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[O:1]=[C:2]([C:3]([C:4]([C:5][H:11])([H:9])[H:10])([H:7])[H:8])[O:6][H:12],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H6O2/c1-2-3-4(5)6/h1H,2-3H2,(H,5,6)",93.74379,84.63450999999999,
2279,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[C:3](=[C:4]([C:5]([H:9])([H:11])[H:12])[H:10])([H:7])[H:8].[O:1]=[C:2]=[O:6],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C3H6.CO2/c1-3-2;2-1-3/h3H,1H2,2H3;",77.08912,-2.05695,
2280,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[C:5](=[O:6])([H:11])[H:12].[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,InChI=1S/C3H4O.CH2O/c4-3-1-2-3;1-2/h1-2H2;1H2,102.44879,66.34026999999999,
2281,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[O:1]([C:2]1=[C:3]([H:7])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:8],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h2,5H,1,3H2",76.3099,25.60299,ketoenol
2282,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[C:4](=[C:5]([H:11])[H:12])([H:9])[H:10].[O:1]1[C:2](=[O:6])[C:3]1([H:7])[H:8],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,InChI=1S/C2H2O2.C2H4/c3-2-1-4-2;1-2/h1H2;1-2H2,85.68385,59.526419999999995,
2283,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[O:1]1[C:2](=[C:3]([H:7])[H:8])[O:6][C:5]([H:11])([H:12])[C:4]1([H:9])[H:10],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,InChI=1S/C4H6O2/c1-4-5-2-3-6-4/h1-3H2,113.05747,31.60241,ketoenol
2284,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[C:3](=[C:4]([H:9])[H:10])([H:7])[H:8].[C:5](=[O:6])([H:11])[H:12].[O+:1]#[C-:2],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,InChI=1S/C2H4.CH2O.CO/c3*1-2/h1-2H2;1H2;,87.68393,50.1624,
2285,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:9])[H:10])([H:7])[H:8])[H:11],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2",79.61022,21.61095,
2286,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[C:5]([H:11])[H:12].[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:6]1,InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,InChI=1S/C3H4O2.CH2/c4-3-1-2-5-3;/h1-2H2;1H2,141.45958000000002,126.72053000000001,
2287,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[O:1]=[C:2]([C:3]([C:4]([H:9])([H:10])[H:11])([H:7])[H:8])[O+:6]=[C-:5][H:12],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H6O2/c1-3-4(5)6-2/h2H,3H2,1H3",90.78775999999999,75.08303000000001,
2288,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[C:4]([C:5](=[O:6])[H:12])([H:9])([H:10])[H:11].[O:1]=[C:2]=[C:3]([H:7])[H:8],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C2H4O.C2H2O/c2*1-2-3/h2H,1H3;1H2",110.05505,35.72339,
2289,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[H:10][H:12].[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:11])[O:6]1,InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H4O2.H2/c5-4-2-1-3-6-4;/h1,3H,2H2;1H",118.02673999999999,28.444229999999997,
2290,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[O:1]=[C:2]=[C:3]([C:4]([C:5]([O:6][H:8])([H:11])[H:12])([H:9])[H:10])[H:7],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H6O2/c5-3-1-2-4-6/h1,6H,2,4H2",79.31926999999999,31.2596,
2291,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[H:7][H:12].[O:1]=[C:2]=[C:3]([C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H4O2.H2/c5-3-1-2-4-6;/h1,4H,2H2;1H",87.16037,47.40875,
2292,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[C:3]1([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12].[O:1]=[C:2]=[O:6],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,InChI=1S/C3H6.CO2/c1-2-3-1;2-1-3/h1-3H2;,84.42412,4.82301,
2293,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[O:1]([C@:2]12[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6]2)[H:12],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H6O2/c5-4-2-1-3(4)6-4/h3,5H,1-2H2/t3-,4+/m1/s1",115.41783999999998,52.430530000000005,
2294,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O+:4]=[C-:5]1)([H:6])([H:7])[H:8].[H:12][H:13],"InChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3","InChI=1S/C4H6O.H2/c1-4-2-5-3-4;/h4H,2H2,1H3;1H/t4-;/m0./s1",85.82329,66.73940999999999,
2295,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([O+:4]=[C-:5][H:13])([H:10])[H:11])([H:9])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-3-4-5-2/h2H,3-4H2,1H3",83.5103,46.18972,
2296,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:9].[C:2]1[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13],"InChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3",InChI=1S/C3H4O.CH4/c1-2-4-3-1;/h2-3H2;1H4,94.53916,93.21659,
2297,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C@@:2]([C:3]([O:4][H:13])([H:10])[H:11])([C:5][H:12])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-4(2)3-5/h1,4-5H,3H2,2H3/t4-/m0/s1",77.75065,74.82732,
2298,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8].[O:4]=[C:5]([H:12])[H:13],"InChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3","InChI=1S/C3H6.CH2O/c1-3-2;1-2/h3H,1H2,2H3;1H2",67.28864,6.30871,2+2_cycloaddition
2299,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C@@:5]12[H:13].[H:6][H:12],"InChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3","InChI=1S/C4H6O.H2/c1-3-2-5-4(1)3;/h3-4H,1-2H2;1H/t3-,4-;/m0./s1",113.68853,41.35931,
2300,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]#[N:4])[H:10])([H:7])([H:8])[H:9].[C:5]=[N:6][H:11],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C2H4N2.CHN/c1-4-2-3;1-2/h4H,1H3;2H",62.05048000000001,34.7799,
2301,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)",45.44254,0.54908,
2302,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([H:10])[H:11])([H:7])([H:8])[H:9].[C:3](#[N:4])[C:5]#[N:6],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C2N2.CH5N/c3-1-2-4;1-2/h;2H2,1H3",63.23902,23.25451,
2303,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[N:2]([H:10])[C:3](=[N:4]/[H:11])/[C:5]1=[N:6]/[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c4-2-1-6-3(2)5/h4H,1H2,(H2,5,6)/b4-2+",96.93518,18.03248,
2304,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C+:1]([N:2]([C:3]([N:4]([H:9])[H:11])=[C:5]=[N-:6])[H:10])([H:7])[H:8],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-6-3(5)2-4/h6H,1,5H2",47.4077,36.587140000000005,
2305,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3][N:4]([N+:6]#[C-:5])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-4-3-6-5-2/h4,6H,1H3",105.54307,80.71879,
2306,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]#[C:5]/[N:6]=[N:4]\[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-5-2-3-6-4/h4-5H,1H3/b6-4-",132.29173,75.5594,
2307,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3](=[N:4][H:11])[N+:6]#[C-:5])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-5-3(4)6-2/h1H3,(H2,4,5)",48.955940000000005,17.447329999999997,
2308,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3][N:4]([C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-5-3-6-2-4/h5-6H,1H3",75.1409,36.498670000000004,
2309,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1]=[C:2](/[N:3]=[C:4](/[C:6]([C:5]([H:8])([H:10])[H:11])([H:12])[H:13])[H:9])[H:7],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c1-2-3-5-4-6/h3-4H,2H2,1H3/b5-3+",81.83353000000001,-2.4952099999999997,
2310,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1]=[C:2]=[N:3][C:4]([C:6]([C:5]([H:8])([H:10])[H:11])([H:12])[H:13])([H:7])[H:9],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3",99.81968,-19.02968,
2311,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1]([C:2][N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h4-6H,1-2H2",72.88521,38.64697,
2312,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1](/[C:2](=[N:3]/[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7])[H:8],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)",44.76636,11.65885,ketoenol
2313,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1]=[C:2]([C:6]([C:5](/[C:4](=[N:3]/[H:8])[H:9])([H:10])[H:11])([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c5-3-1-2-4-6/h3-5H,1-2H2/b5-3+",73.67505,0.56192,
2314,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1]=[C:2]([N+:3]([C:4](=[C:5]([H:10])[H:11])[H:9])([C-:6]([H:12])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c1-3-5(2)4-6/h3-5H,1-2H2",98.83508,80.65717,
2315,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1]=[C:2]([N+:3](=[C-:4][C:6]([C:5]([H:9])([H:10])[H:11])([H:12])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c1-2-3-5-4-6/h4-5H,2H2,1H3",57.788109999999996,29.58335,
2316,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1](/[C:2](=[N:3]\[H:8])[H:7])[C:6]([C:4](=[C:5]([H:10])[H:11])[H:9])([H:12])[H:13],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c1-2-3-6-4-5/h2,4-5H,1,3H2/b5-4-",90.02303,13.53665,
2317,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1](/[C:2](=[N:3]/[H:8])[H:7])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+",78.55467,19.77613,ketoenol
2318,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[H:7][H:8].[O:1]=[C:2]=[N:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H5NO.H2/c6-3-5-4-1-2-4;/h4H,1-2H2;1H",78.62743,18.05418,
2319,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[C:4]1([H:9])=[C:5]([H:11])[C:6]1([H:12])[H:13].[O:1](/[C:2](=[N:3]\[H:8])[H:7])[H:10],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C3H4.CH3NO/c1-2-3-1;2-1-3/h1-2H,3H2;1H,(H2,2,3)",82.63955,56.3305,Retroene
2320,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[H:8][H:9].[O:1]=[C:2]([N:3]=[C:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H5NO.H2/c6-3-5-4-1-2-4;/h3H,1-2H2;1H",109.08639,46.345659999999995,
2321,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1]=[C:2]([N+:3]([C-:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3H,1-2,5H2",92.19555,86.64171,
2322,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1]=[C:2]([C:5]([N:3]([C:4](=[C:6]([H:12])[H:13])[H:9])[H:8])([H:10])[H:11])[H:7],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c1-2-5-3-4-6/h2,4-5H,1,3H2",100.84076999999999,10.22357,
2323,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O+:1]1=[C:2]([H:7])[N:3]([H:8])[C-:4]([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h2,4-5H,1,3H2",74.36475,45.17733,
2324,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:5](=[C:6]([H:13])[H:14])([H:11])[H:12].[O:1]=[C:2]([C:4](=[C:3]([H:8])[H:9])[H:10])[H:7],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C3H4O.C2H4/c1-2-3-4;1-2/h2-3H,1H2;1-2H2",91.73087,17.20352,
2325,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4][C:5]([C:6]([H:10])([H:13])[H:14])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h5H,2,4H2,1H3",67.84141,69.00296,
2326,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:6]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:13])[H:14],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-3-5-6-4-2/h3-4H,1-2,5H2",82.12693,13.233179999999999,
2327,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C@:2]1([H:7])[C:3]([H:8])([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C@@:6]12[H:14])[H:13],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5-/m1/s1",98.31118000000001,16.37714,
2328,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])=[C:6]1[H:13])([H:8])[H:9])([H:7])[H:12])[H:14],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h1-2,5-6H,3-4H2",78.14256999999999,38.447340000000004,
2329,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O+:1](=[C-:2][H:7])[C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-6-4-5-2-3-5/h1,5H,2-4H2",114.01941000000001,64.30667,
2330,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h5-6H,1-3H2",80.42365,52.42243,
2331,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:3](=[C:4]1[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9].[O:1]=[C:2]([H:7])[H:10],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2",InChI=1S/C4H6.CH2O/c1-4-2-3-4;1-2/h1-3H2;1H2,83.36153,37.95818,
2332,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[H:9][H:12].[O:1]=[C:2](/[C:3](=[C:4](\[C:5](=[C:6]([H:13])[H:14])[H:11])[H:10])[H:8])[H:7],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H6O.H2/c1-2-3-4-5-6;/h2-5H,1H2;1H/b4-3-;",103.38053000000001,25.71409,
2333,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-2-6-5-3-4-5/h2,5H,1,3-4H2",101.25916,16.60313,ketoenol
2334,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O+:1](=[C-:2][H:7])[C:4]1([H:10])[C:3]([H:8])([H:9])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-6-5-3-2-4-5/h1,5H,2-4H2",110.38911999999999,61.40421,
2335,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:3](=[C:4]([C:5]([C:6]([H:7])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9].[O+:1]#[C-:2],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C4H8.CO/c1-3-4-2;1-2/h3H,1,4H2,2H3;",65.93073000000001,-7.33628,
2336,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](\[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:8])[H:7])[H:9],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h3-6H,1-2H2/b4-3-",71.20569,6.477069999999999,ketoenol
2337,[C:1]([O:2]/[C:3]([C:4]([H:9])([H:10])[H:11])=[N:5]/[H:12])([H:6])([H:7])[H:8],[C:1](=[O:2])([H:7])[H:8].[C:3](\[C:4]([H:9])([H:10])[H:11])(=[N:5]\[H:12])[H:6],"InChI=1S/C3H7NO/c1-3(4)5-2/h4H,1-2H3/b4-3+","InChI=1S/C2H5N.CH2O/c1-2-3;1-2/h2-3H,1H3;1H2/b3-2-;",99.06605,25.99827,
2338,[C:1]([O:2]/[C:3]([C:4]([H:9])([H:10])[H:11])=[N:5]/[H:12])([H:6])([H:7])[H:8],[C:1]([O:2][H:9])([H:6])([H:7])[H:8].[C:3](=[C:4]([H:10])[H:11])=[N:5][H:12],"InChI=1S/C3H7NO/c1-3(4)5-2/h4H,1-2H3/b4-3+","InChI=1S/C2H3N.CH4O/c1-2-3;1-2/h3H,1H2;2H,1H3",78.20877,35.824290000000005,
2339,[C:1]([O:2]/[C:3]([C:4]([H:9])([H:10])[H:11])=[N:5]/[H:12])([H:6])([H:7])[H:8],[C:1]([O:2][C:3]#[N:5])([H:6])([H:7])[H:8].[C:4]([H:9])([H:10])([H:11])[H:12],"InChI=1S/C3H7NO/c1-3(4)5-2/h4H,1-2H3/b4-3+",InChI=1S/C2H3NO.CH4/c1-4-2-3;/h1H3;1H4,102.9538,23.454539999999998,
2340,[C:1]([O:2]/[C:3]([C:4]([H:9])([H:10])[H:11])=[N:5]/[H:12])([H:6])([H:7])[H:8],[C:1]([O:2][C:3](=[C:4]([H:10])[H:11])[N:5]([H:9])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(4)5-2/h4H,1-2H3/b4-3+","InChI=1S/C3H7NO/c1-3(4)5-2/h1,4H2,2H3",67.62675,16.133470000000003,
2341,[C:1]([O:2]/[C:3]([C:4]([H:9])([H:10])[H:11])=[N:5]/[H:12])([H:6])([H:7])[H:8],[C:1]([O+:2]=[C-:3][N:5]([C:4]([H:9])([H:10])[H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(4)5-2/h4H,1-2H3/b4-3+","InChI=1S/C3H7NO/c1-4-3-5-2/h4H,1-2H3",65.81692,37.96709,
2342,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[C-:5]#[O+:6].[O:1]=[C:2]([C:3]([N:4]([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C2H5NO.CO/c3-1-2-4;1-2/h2H,1,3H2;",84.30001999999999,13.61505,"1,2_Insertion_CO"
2343,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](\[N:4]=[C:5](/[O:6][H:9])[H:11])[H:8])[H:7])[H:10],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h1-3,5H,(H,4,6)/b2-1-",51.56564,16.4052,
2344,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[O:1]1[C@:2]2([H:7])[C:3]([H:8])([H:9])[N:4]([H:10])[C@@:5]1([H:11])[O:6]2,"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C3H5NO2/c1-2-5-3(4-1)6-2/h2-4H,1H2/t2-,3+",62.5486,47.184740000000005,
2345,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[O-:1][C:2](=[C:3]([N:4]([C+:5]([O:6][H:9])[H:11])[H:10])[H:8])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h1-4,6H",38.35927,35.71768,
2346,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([O:6]/[C:5](=[N:4]/[H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+",77.96007,18.292089999999998,ketoenol
2347,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[N:4]1[H:10])[C:5](=[O:6])[H:11],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C3H5NO2/c5-2-6-3-1-4-3/h2-4H,1H2/t3-/m0/s1",66.29349,29.43008,
2348,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[H:10][H:11].[O:1]=[C:2]([C:3]([N:4]=[C:5]=[O:6])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C3H3NO2.H2/c5-2-1-4-3-6;/h2H,1H2;1H",81.90239,19.23195,
2349,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3](/[N:4]=[C:5](/[O:6][H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)",47.05495,13.87025,ketoenol
2350,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2](/[C:3](=[N:4]/[C:5](=[O:6])[H:11])[H:8])([H:7])[H:9])[H:10],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h1,3,5H,2H2/b4-1+",52.31296,16.80857,
2351,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([O+:6]=[C:5]([N:4]([C-:3]([H:8])[H:9])[H:10])[H:11])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-4H,1H2",68.07876,53.08684,
2352,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([N:4]([C:5][O:6][H:11])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2,4,6H,1H2",73.43581999999999,39.810109999999995,
2353,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[C:3](=[O:4])([H:9])[H:10].[O:1]([C:2](=[C:5]=[O:6])[H:8])[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C2H2O2.CH2O/c3-1-2-4;1-2/h1,3H;1H2",58.844809999999995,40.25404,2+2_cycloaddition
2354,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]1[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[O:6][H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c4-3-2(6-3)1-5-3/h2,4H,1H2/t2-,3+/m0/s1",55.04175,39.90963,
2355,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]([C:5]([O:4][C:3]([C:2][H:8])([H:9])[H:10])=[O:6])[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c1-2-6-3(4)5/h1H,2H2,(H,4,5)",76.66808,64.56593000000001,
2356,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[C-:5]#[O+:6].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C2H4O2.CO/c3-2-1-4-2;1-2/h2-3H,1H2;/t2-;/m1./s1",71.50191,19.10205,
2357,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]([C:2]([C:5]([O+:4]=[C-:3][H:10])=[O:6])([H:8])[H:9])[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c1-6-3(5)2-4/h1,4H,2H2",81.1765,58.43246,
2358,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]([C@@:2]1([H:8])[C@@:5]2([C:3]([H:9])([H:10])[O:4]2)[O:6]1)[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c4-2-3(6-2)1-5-3/h2,4H,1H2/t2-,3-/m1/s1",83.81595,43.58495,
2359,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]([C+:2]=[C:5]([O:4][C:3]([H:8])([H:9])[H:10])[O-:6])[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c1-6-3(5)2-4/h1H3,(H-,4,5)",67.34968,50.43349,
2360,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]([C:2][C:3]([O:4][C:5](=[O:6])[H:8])([H:9])[H:10])[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c4-1-2-6-3-5/h3-4H,2H2",75.05726,49.48035,
2361,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O-:1][C@@:2]1([H:8])[C:3]([H:9])([H:10])[O+:4]=[C:5]1[O:6][H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,5H,1H2/t2-/m0/s1",55.01045,54.58524,
2362,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]([C:2]([C:3]([O:4][H:8])([H:9])[H:10])=[C:5]=[O:6])[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c4-1-3(6)2-5/h4,6H,1H2",78.85068000000001,23.72694,
2364,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]([C:2]1=[C:5]([O:6][H:8])[O:4][C:3]1([H:9])[H:10])[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h4-5H,1H2",93.23088,33.745870000000004,ketoenol
2365,[C:1]1([H:6])([H:7])[C@:2]2([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]12[H:13],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:13])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1,"InChI=1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2/t4-,5+",InChI=1S/C5H8/c1-2-4-5-3-1/h1-4H2,61.202090000000005,38.80464,
2366,[C:1]1([H:6])([H:7])[C@:2]2([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]12[H:13],[C:1]([C:2][H:8])([C:5]1([H:13])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:6])[H:7],"InChI=1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8/c1-2-5-3-4-5/h1,5H,2-4H2",76.48980999999999,75.35365,
2367,[C:1]1([H:6])([H:7])[C@:2]2([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]12[H:13],[C:1]1([H:6])([H:7])[C@:2]([C:3]([C:4]([H:11])([H:12])[H:13])([H:9])[H:10])([H:8])[C:5]1,"InChI=1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8/c1-2-5-3-4-5/h5H,2-3H2,1H3/t5-/m1/s1",79.0508,65.38006,
2368,[C:1]1([H:6])([H:7])[C@:2]2([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]12[H:13],[C:1]1([H:7])=[C:2]([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1([H:6])[H:13],"InChI=1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2",65.83148,-27.4227,
2369,[C:1]1([H:6])([H:7])[C@:2]2([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]12[H:13],[C:1]([C@@:5]1([H:13])[C:2][C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8/c1-5-3-2-4-5/h5H,2-3H2,1H3/t5-/m1/s1",66.4937,63.103030000000004,
2370,[C:1]1([H:6])([H:7])[C@:2]2([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]12[H:13],[C:1]1([H:6])([H:7])[C@:2]([C:3][H:9])([H:8])[C@:5]1([C:4]([H:10])([H:11])[H:12])[H:13],"InChI=1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8/c1-4-3-5(4)2/h1,4-5H,3H2,2H3/t4-,5+/m1/s1",81.42752,63.48585,
2371,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])[H:8].[H:9][H:11],"InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H6O2.H2/c1-5-2-4-3-6-4;/h2,4H,1,3H2;1H/t4-;/m0./s1",81.46961,80.1107,
2373,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:7])[H:8].[C:3](=[C:4]1[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11].[H:9][H:12],"InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1",InChI=1S/C3H4O.CH2O.H2/c1-3-2-4-3;1-2;/h1-2H2;1H2;1H,86.53156,40.553540000000005,
2374,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C@@:4]([C+:5]([H:13])[H:14])([O-:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h4H,1,3H2,2H3/t4-/m1/s1",69.96002,61.503969999999995,
2375,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C@@:4]([C:5][H:14])([O:6][H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h1,4-5H,3H2,2H3/t4-/m1/s1",72.2449,69.29574000000001,
2376,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C-:4]=[O+:6][C:5]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-5-3-4-6-2/h3H2,1-2H3",75.72525,45.895759999999996,
2377,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([O+:6]=[C-:5][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-5-3-4-6-2/h1H,3-4H2,2H3",76.92931999999999,47.47051,
2378,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:4](\[C:5]([O:6][H:11])([H:13])[H:14])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h2,4-5H,3H2,1H3/b4-2-",63.58679,-12.98123,
2379,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([H:10])([H:11])[H:13])([H:7])([H:8])[H:9].[C:4](=[C+:5][H:14])([O-:6])[H:12],"InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1",InChI=1S/C2H6O.C2H2O/c1-3-2;1-2-3/h1-2H3;1-2H,124.03939,77.09185,
2380,[C:1]([C:2]([O:3][C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[C:6]([H:11])[H:14])([H:12])[H:13],"InChI=1S/C5H8O/c1-3-5-6-4-2/h1H,4-5H2,2H3","InChI=1S/C3H4.C2H4O/c1-3-2;1-2-3/h1-2H2;2H,1H3",44.29367,-4.73039,Retroene
2381,[C:1]([C:2]([O:3][C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:6](=[C:5]=[C:4]([H:12])[H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5-6-4-2/h1H,4-5H2,2H3","InChI=1S/C5H8O/c1-3-5-6-4-2/h5H,1,4H2,2H3",66.73425999999999,-2.57642,
2382,[C:1]([C:2]([O:3][C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([C:6](=[C:5])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5-6-4-2/h1H,4-5H2,2H3","InChI=1S/C5H8O/c1-3-5-6-4-2/h3H,4-5H2,2H3",56.1798,48.6592,Singlet_Carbene_Intra_Disproportionation
2383,[C:1]([C:2]([O:3][C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3]/[C:4](=[C:5](\[C:6][H:14])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5-6-4-2/h1H,4-5H2,2H3","InChI=1S/C5H8O/c1-3-5-6-4-2/h1,3,5H,4H2,2H3/b5-3-",67.27129000000001,49.17451,
2384,[C:1]([C:2]([O:3][C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:12])([H:13])[C:5]1=[C:6]([H:11])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5-6-4-2/h1H,4-5H2,2H3","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h5H,1,3H2,2H3/t5-/m1/s1",82.42347,-14.89851,
2385,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N-:4]([N+:5]#[C:6][H:10])[H:9].[N:1]([C:2]#[N:3])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)",InChI=1S/2CH2N2/c1-3-2;2-1-3/h1-2H;2H2,87.71214,60.43363000000001,
2386,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]1=[C:6]=[N+:5]([H:10])[N:4]([H:9])[N-:3]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H3N4/c3-2-1-4-6-5-2/h6H,3H2/q-1/p+1",79.22693000000001,48.269709999999996,
2387,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N+:1]([C:2]1=[C:6]=[N:5][N:4]([H:9])[N-:3]1)([H:7])([H:8])[H:10],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H3N4/c3-2-1-4-6-5-2/h6H,3H2/q-1/p+1",87.46194,79.47223000000001,
2388,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([C@:2]1(/[N:3]=[N:4]/[H:9])[N:5]=[C:6]1[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2(6-4)1-5-2/h1,4H,3H2/b6-4+/t2-/m0/s1",82.0117,59.9355,
2389,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([c:2]1[n:3]([H:9])[n:4][n:5][c:6]1[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)",49.97489,7.38961,
2390,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([c:2]1[n:3][n:4][n:5]([H:9])[c:6]1[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)",48.565290000000005,5.62282,
2391,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]1=[N:3][C@@:6]1(/[N:5]=[N:4]/[H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-2(5-1)6-4/h2,4H,(H2,3,5)/b6-4+/t2-/m1/s1",87.22165,49.47647,
2392,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1](=[c:2]1/[n:3]([H:7])[n:4]([H:9])[n:5][c:6]1[H:10])\[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)",69.06801999999999,27.049570000000003,
2393,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]#[N+:3][N-:4][H:9])([H:7])[H:8].[N:5]#[C:6][H:10],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/CH3N3.CHN/c2-1-4-3;1-2/h3H,2H2;1H",79.1982,60.69433000000001,
2394,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]([N:3]=[N:4][H:9])=[C:6]=[N:5][H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-2(4)6-5/h3,5H,4H2",79.22610999999999,46.53272,
2395,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]([H:10])[H:11])([H:7])([H:8])[H:9].[O:4]=[C:5]=[O:6],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C2H5N.CO2/c1-3-2;2-1-3/h1H2,2H3;",57.07161,-15.78894,"1,3_Insertion_CO2"
2396,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[N:2][C:3](=[O:4])[H:10])([H:7])[H:9].[C:5](=[O:6])([H:8])[H:11],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C2H3NO.CH2O/c1-3-2-4;1-2/h2H,1H2;1H2",55.802409999999995,28.940820000000002,
2397,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C-:3]=[O+:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C3H5NO2/c1-4-2-6-3-5/h3-4H,1H3",71.37231,28.12732,
2398,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[N:2]=[C:3]([H:10])[O:4][C@:5]1([O:6][H:8])[H:11],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C3H5NO2/c5-3-1-4-2-6-3/h2-3,5H,1H2/t3-/m1/s1",80.37243000000001,-2.35675,
2399,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3](=[O:4])[H:10])[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C3H5NO2/c1-4(2-5)3-6/h2-3H,1H3",20.96163,-16.80503,ketoenol
2400,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:1]([N:2]([C:3](=[O+:4][C:5](=[O:6])[H:11])[H:10])[H:8])([H:7])[H:9],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-4H,1H2",73.71404,41.96844,
2401,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N+:2]#[C-:3])([H:7])([H:8])[H:9].[O:4]=[C:5]([O:6][H:10])[H:11],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C2H3N.CH2O2/c1-3-2;2-1-3/h1H3;1H,(H,2,3)",31.77846,11.7392,
2402,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](\[O+:4]=[C-:5][O:6][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2,5H,1H3/b4-2-",78.07351,44.261359999999996,
2403,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[N:2][C:3]([O:4][C:5](=[O:6])[H:11])([H:8])[H:10])([H:7])[H:9],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C3H5NO2/c1-4-2-6-3-5/h3H,1-2H2",80.03961,6.5792600000000006,
2404,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9].[N:2]#[C:3][H:10],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C2H4O2.CHN/c1-4-2-3;1-2/h2H,1H3;1H",93.77979,10.3244,
2405,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]([C@@:5]1([H:11])[C:2][C:3]([H:9])([H:10])[O:4]1)([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-4-2-3-5-4/h4H,3H2,1H3/t4-/m0/s1",61.26243,54.47534,
2406,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:11])[C:3]([H:9])([H:10])[O+:4]=[C-:5]1,"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1",InChI=1S/C4H6O/c1-2-4-5-3-1/h1-3H2,56.07066,5.19943,
2407,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]([C:2]1([H:8])[C-:3]([H:10])[O+:4]=[C:5]1[H:11])([H:6])([H:7])[H:9],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-4-2-5-3-4/h2-4H,1H3",85.66341,44.37795,
2408,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C-:3]([H:9])[O+:4]=[C:5]12.[H:10][H:11],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H4O.H2/c1-3-2-5-4(1)3;/h2-3H,1H2;1H/t3-;/m0./s1",100.75525,69.06425,
2409,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C-:3]=[O+:4][C@@:5]12[H:11].[H:9][H:10],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H4O.H2/c1-3-2-5-4(1)3;/h3-4H,1H2;1H/t3-,4-;/m0./s1",87.0972,69.86108,
2410,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2][C:3]([H:9])([H:10])[O:4][C:5]1([H:8])[H:11],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-2-4-5-3-1/h1,3-4H2",61.697340000000004,34.47736,
2411,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1](=[C:2]([C@@:5]1([H:11])[C:3]([H:9])([H:10])[O:4]1)[H:8])([H:6])[H:7],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2/t4-/m0/s1",79.7998,-11.14021,
2412,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2]([H:8])=[C:5]1[H:11].[C:3](=[O:4])([H:9])[H:10],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C3H4.CH2O/c1-2-3-1;1-2/h1-2H,3H2;1H2",76.49786999999999,27.28665,2+2_cycloaddition
2413,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C@:2]([C:3]([O:4][H:11])([H:9])[H:10])([H:8])[C:5]1,"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c5-3-4-1-2-4/h4-5H,1,3H2/t4-/m1/s1",72.84295999999999,56.36853000000001,
2414,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1([H:7])[H:11])[H:6],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-4-2-5-3-4/h1,4H,2-3H2",67.02653000000001,66.33096,
2415,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:5]1([O+:4]=[C-:3][H:10])[H:11],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-5-4-2-3-4/h1,4H,2-3H2",82.44511,41.83325,
2416,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])=[C:5]([H:11])[O:4][C:3]([H:9])([H:10])[C:2]1([H:7])[H:8],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2",62.62806,-32.46798,
2417,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]([C@@:5]1([H:11])[C:2]([H:6])([H:8])[C:3]([H:9])([H:10])[O:4]1)[H:7],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-4-2-3-5-4/h1,4H,2-3H2/t4-/m0/s1",63.85904,60.69501999999999,
2418,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]([C:2]1=[C:5]([H:11])[O:4][C:3]1([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-4-2-5-3-4/h2H,3H2,1H3",61.24776,-10.52009,
2419,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]([C:2](=[C:3]([H:9])[H:10])[H:8])([C:5](=[O:4])[H:11])([H:6])[H:7],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-2-3-4-5/h2,4H,1,3H2",40.524609999999996,-31.98048,
2420,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O+:4]=[C-:5]1)([H:6])([H:7])[H:11],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-4-2-5-3-4/h4H,2H2,1H3/t4-/m0/s1",52.70731,25.29093,
2421,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])=[C:5]([H:11])[C:2]1([C:3]([O:4][H:7])([H:9])[H:10])[H:8],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c5-3-4-1-2-4/h1-2,4-5H,3H2",71.57466,9.74306,
2422,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:5]([H:12])([H:13])[C@@:4]1([H:11])[C:3]([H:10])=[N:6]2,"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-4-2-5(1)6-3-4/h3-5H,1-2H2/t4-,5+",111.16006000000002,-25.13635,
2423,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C:2]([H:9])=[N:6][C:5]([H:12])([H:13])[C@:4]1([C:3][H:10])[H:11],"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h1,3,5H,2,4H2/t5-/m0/s1",53.34681,28.37643,
2424,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C-:3]3[C@:4]1([H:11])[C:5]([H:12])([H:13])[N+:6]23[H:10],"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-4,6H,1-2H2/t3-,4-/m0/s1",52.249320000000004,42.27244,
2425,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[N:6]2[C:5]([H:12])([H:13])[C:4]1,"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-2-5-4-6(5)3-1/h5H,2-4H2/t5-,6?/m0/s1",70.63385,37.742940000000004,
2426,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1]([C@@:2]1([H:9])[C:3]([H:10])=[N:6]1)([C:4](=[C:5]([H:12])[H:13])[H:11])([H:7])[H:8],"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-2-3-5-4-6-5/h2,4-5H,1,3H2/t5-/m0/s1",60.2187,-9.60114,
2427,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])=[N:6][C:5]([H:12])([H:13])[C@:4]12[H:11],"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-4-2-6-3-5(1)4/h2,4-5H,1,3H2/t4-,5-/m0/s1",59.91641,22.839570000000002,
2428,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C:4]([H:8])([H:11])[C:5]([H:12])([H:13])[N:6]12)[H:7],"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-4-5-2-3-6(4)5/h1,4-5H,2-3H2/t4-,5+,6?/m0/s1",81.77809,66.6182,
2429,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C@@:2]([N:6]=[C:5]([H:12])[H:13])([H:9])[C:3]([H:10])=[C:4]1[H:11],"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-6-5-3-2-4-5/h2-3,5H,1,4H2/t5-/m1/s1",62.29942,-18.20348,
2430,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[N:6]2[C@:4]1([H:11])[C:5]2([H:12])[H:13],"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-2-5-4-6(5)3-1/h1,3,5H,2,4H2/t5-,6?/m0/s1",68.75633,-29.39619,
2431,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1](=[C:2]([C@@:3]1([H:10])[C:4]([H:11])=[C:5]([H:12])[N:6]1[H:13])[H:9])([H:7])[H:8],"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-2-5-3-4-6-5/h2-6H,1H2/t5-/m0/s1",86.01997,-13.905579999999999,
2432,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C:2][C@@:3]2([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]2[H:9],"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-2-5-4(1)3-6-5/h4-6H,1,3H2/t4-,5-/m0/s1",56.7188,53.63098000000001,
2433,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:12])[N:6]2[C@:3]3([H:10])[C@@:4]1([H:11])[C@@:5]32[H:13],"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-2-6-4-3(1)5(4)6/h3-5H,1-2H2/t3-,4+,5-,6?",88.41439,-8.193060000000001,
2434,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1](=[C:2]([N:6]1[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13])[H:9])([H:7])[H:8],"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-2-6-4-3-5-6/h2-4H,1,5H2",62.93756,-14.039760000000001,
2435,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([O:6][C:5]([C:4]([C:3]#[N:2])([H:10])[H:11])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3",97.58374,-8.61992,
2436,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]1=[C:4]([H:10])[C:5]([H:12])([H:13])[O:6]1)[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2,5H,3H2,1H3",83.62684,17.99008,
2437,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([N+:2]#[C-:3])([H:7])([H:8])[H:9].[C:4]1([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1,"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-",InChI=1S/C2H3N.C2H4O/c1-3-2;1-2-3-1/h1H3;1-2H2,99.84664000000001,37.94417,
2438,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[N:2][C@:3]12[C:4]([H:10])([H:11])[C@@:5]1([H:13])[O:6]2)([H:7])[H:8].[H:9][H:12],"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H5NO.H2/c1-5-4-2-3(4)6-4;/h3H,1-2H2;1H/t3-,4+;/m1./s1",114.0747,75.47908000000001,
2439,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C-:1]([N:2]([C:3]1=[O+:6][C:5]([H:12])([H:13])[C:4]1([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h5H,1-3H2",80.72205,55.1481,
2440,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[N+:2]=[C-:3][O:6][C:5]([C:4]([H:9])([H:10])[H:11])([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO/c1-3-6-4-5-2/h2-3H2,1H3",94.46021999999999,37.34587,
2441,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[N:2][C:3]([C:4]([H:9])([H:10])[H:11])=[O+:6][C-:5]([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO/c1-4(5-2)6-3/h2-3H2,1H3",104.56560999999999,57.04837,
2442,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[N:2][C:3]1=[C:4]([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])[H:8].[H:9][H:10],"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H5NO.H2/c1-5-4-2-3-6-4;/h2H,1,3H2;1H",91.96678,44.56572,
2443,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C:4]([N+:6]#[C-:5])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C4H8N2/c1-3-6-4-5-2/h6H,3-4H2,1H3",46.82463,19.479789999999998,
2444,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[H:12])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[N:6][H:11])([H:13])[H:14],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C2H5N.C2H3N/c2*1-2-3/h2-3H,1H3;3H,1H2/b3-2+;",65.29104,28.81863,Retroene
2445,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C:5]1=[N:6][C:4]1([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C4H8N2/c1-2-5-4-3-6-4/h2-3H2,1H3,(H,5,6)",99.59394,27.29907,
2446,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N+:3]([C-:4]([C:5]#[N:6])[H:13])([H:12])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C4H8N2/c1-2-6-4-3-5/h4H,2,6H2,1H3",68.03244000000001,44.30191,
2447,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([N:6]=[C:5]=[C:4]([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C4H8N2/c1-3-5-6-4-2/h6H,1,4H2,2H3",102.18338,42.34364,
2448,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[C:4]([C:5]#[N:6])([H:13])[H:14])[H:10])([H:7])([H:8])[H:11].[H:9][H:12],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C4H6N2.H2/c1-2-6-4-3-5;/h2H,4H2,1H3;1H/b6-2+;",106.59266000000001,20.10383,
2449,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]=[C:4]([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]=[N:6][H:12],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C3H7N.CHN/c1-3-4-2;1-2/h2-3H2,1H3;2H",53.408319999999996,38.05641,
2450,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([N+:3]([C:4]([C:5]#[N:6])([H:13])[H:14])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C4H8N2/c1-2-6-4-3-5/h2H,4,6H2,1H3",83.81168000000001,71.35488000000001,
2451,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([N:6]=[C:5]1[C:2]([H:10])([H:11])[N:3]([H:12])[C:4]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C4H8N2/c1-5-4-2-6-3-4/h6H,2-3H2,1H3",111.54932,26.883,
2452,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C+:2]([N:3]([C:4](=[C:5]=[N-:6])[H:13])[H:12])[H:10])([H:7])([H:8])[H:9].[H:11][H:14],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C4H6N2.H2/c1-2-6-4-3-5;/h2,4,6H,1H3;1H",65.15590999999999,48.27319,
2453,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])[C:5][N:6]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C4H8N2/c1-4-5-2-3-6-4/h4-6H,2H2,1H3/t4-/m0/s1",79.34209,36.181259999999995,
2454,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]1=[C:2]([C:3]([C:4](=[C:6]([H:12])[H:13])[H:9])([H:7])[H:8])[C:5]1([H:10])[H:11],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C5H7N/c1-2-3-5-4-6-5/h2H,1,3-4H2",99.53003000000001,35.32499,
2455,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N+:1](=[C-:2][C:3]([C:4](=[C:6]([H:12])[H:13])[H:9])([H:7])[H:8])=[C:5]([H:10])[H:11],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C5H7N/c1-3-4-5-6-2/h3H,1-2,4H2",92.48262,47.79759,
2456,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]#[C:2][C:3]([C:4][C:6]([C:5]([H:9])([H:10])[H:11])([H:12])[H:13])([H:7])[H:8],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C5H7N/c1-2-3-4-5-6/h2,4H2,1H3",68.77484,67.93996,
2457,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]1([H:12])[C:2][C:3]([H:7])([H:8])[C@:4]2([H:9])[C:5]([H:10])([H:11])[C@:6]12[H:13],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C5H7N/c1-2-6-5-3-4(1)5/h4-6H,1,3H2/t4-,5+/m1/s1",98.41949,43.43854,
2458,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1](=[C:2]=[C:3]([H:7])[H:8])[C:5]([C:4](=[C:6]([H:12])[H:13])[H:9])([H:10])[H:11],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C5H7N/c1-3-5-6-4-2/h3H,1-2,5H2",86.97915,24.77218,
2459,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N+:1](#[C-:2])[C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C5H7N/c1-6-4-5-2-3-5/h5H,2-4H2",58.499919999999996,22.674120000000002,
2460,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:7])([H:8])[C@:4]2([H:9])[C:5]([H:10])([H:11])[C@:6]12[H:13])\[H:12],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C5H7N/c6-5-2-3-1-4(3)5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m0/s1",101.82406999999999,21.507379999999998,
2461,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:7])([H:8])[C:4]12[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13])\[H:9],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C5H7N/c6-4-3-5(4)1-2-5/h6H,1-3H2/b6-4-",113.48573999999999,41.14989,
2462,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[C:3](=[C:4]([C:5](=[C:6]([H:12])[H:13])[H:10])[H:9])([H:7])[H:8].[N:1]#[C:2][H:11],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C4H6.CHN/c1-3-4-2;1-2/h3-4H,1-2H2;1H",105.9018,22.93088,
2463,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[O-:1][C:2](=[C+:3][H:6])[N:5]([C:4]([H:7])([H:8])[H:9])[H:10],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO/c1-3(5)4-2/h1,4H,2H3",81.34210999999999,73.96252,
2464,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[O:1]([C:2]1=[C:3]([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO/c5-3-1-2-4-3/h1,4-5H,2H2",85.83001,32.47961,ketoenol
2465,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[O+:1]1=[C:2]([N:5]([C-:4]([H:8])[H:9])[H:10])[C:3]1([H:6])[H:7],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO/c1-4-3-2-5-3/h4H,1-2H2",109.97296000000001,92.11787,
2466,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[O:1]([C:2]1=[N:5][C:4]([H:8])([H:9])[C:3]1([H:6])[H:7])[H:10],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)",62.30295,15.71459,ketoenol
2467,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[O:1]=[C:2]([C:3]([C:4][H:8])([H:6])[H:7])[N:5]([H:9])[H:10],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO/c1-2-3(4)5/h1H,2H2,(H2,4,5)",82.18468,67.62465999999999,
2468,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[C:3](=[C:4]([H:8])[H:9])([H:6])[H:7].[O:1]=[C:2]=[N:5][H:10],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)",InChI=1S/C2H4.CHNO/c1-2;2-1-3/h1-2H2;2H,55.80294,7.077030000000001,
2469,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[C:4](=[N:5][H:10])([H:8])[H:9].[O:1]=[C:2]=[C:3]([H:6])[H:7],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)","InChI=1S/C2H2O.CH3N/c1-2-3;1-2/h1H2;2H,1H2",59.93349,32.497659999999996,
2470,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[O:1]=[C:2]=[C:3]([C:4]([N:5]([H:6])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO/c4-2-1-3-5/h1H,2,4H2",81.06819,16.372989999999998,
2471,[O:1]=[c:2]1[o:3][c:4]([H:7])[n:5][o:6]1,[C:4](#[N+:5][O-:6])[H:7].[O:1]=[C:2]=[O:3],InChI=1S/C2HNO3/c4-2-5-1-3-6-2/h1H,InChI=1S/CHNO.CO2/c1-2-3;2-1-3/h1H;,51.52511,13.84961,
2472,[O:1]=[c:2]1[o:3][c:4]([H:7])[n:5][o:6]1,[O:1]=[C:2]=[O:6].[O:3]([C:4]#[N:5])[H:7],InChI=1S/C2HNO3/c4-2-5-1-3-6-2/h1H,InChI=1S/CHNO.CO2/c2*2-1-3/h3H;,38.77298,-31.26127,
2473,[O:1]=[c:2]1[o:3][c:4]([H:7])[n:5][o:6]1,[O:1]=[C:2]=[O:6].[O:3]=[C:4]=[N:5][H:7],InChI=1S/C2HNO3/c4-2-5-1-3-6-2/h1H,InChI=1S/CHNO.CO2/c2*2-1-3/h2H;,38.774390000000004,-57.244580000000006,
2474,[N:1]([C:2]1([C:5]#[N:6])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],[N:1]([C@:2]1([C+:5]=[N:6][H:11])[C:3]([H:9])([H:10])[C-:4]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2","InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1,5H,2,6H2/t4-/m0/s1",130.50759,86.76449000000001,
2475,[N:1]([C:2]1([C:5]#[N:6])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],[N:1]([C:2]1([N+:6]#[C-:5])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2","InChI=1S/C4H6N2/c1-6-4(5)2-3-4/h2-3,5H2",55.9203,20.69748,
2476,[N:1]([C:2]1([C:5]#[N:6])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],[C:5]=[N:6][H:8].[N:1](=[C:2]1[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])[H:7],"InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2","InChI=1S/C3H5N.CHN/c4-3-1-2-3;1-2/h4H,1-2H2;2H",65.66351,49.80748,
2477,[N:1]([C:2]1([C:5]#[N:6])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],[N:1]([C:5]1=[N:6][C:2]12[C:3]([H:9])([H:10])[C:4]2([H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2","InChI=1S/C4H6N2/c5-3-4(6-3)1-2-4/h1-2H2,(H2,5,6)",103.78484,37.54704,
2478,[N:1]([C:2]1([C:5]#[N:6])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],[C:3](=[C:4]([H:11])[H:12])([H:9])[H:10].[N:1]([C+:2]=[C:5]=[N-:6])([H:7])[H:8],"InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2",InChI=1S/C2H2N2.C2H4/c3-1-2-4;1-2/h3H2;1-2H2,59.4492,49.69526,
2479,[N:1]([C:2]1([C:5]#[N:6])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],[H:10][H:12].[N+:1]1([H:7])([H:8])[C@@:2]([C:3][H:9])([C:5]#[N:6])[C-:4]1[H:11],"InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2","InChI=1S/C4H4N2.H2/c1-4(2-5)3-6-4;/h1,3H,6H2;1H/t4-;/m0./s1",167.14361,149.03993,
2480,[N:1]([C:2]1([C:5]#[N:6])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],[N:1]([C:2][C:3]([C:4]([C:5]#[N:6])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2","InChI=1S/C4H6N2/c5-3-1-2-4-6/h1-2,5H2",57.185019999999994,27.05354,
2481,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O+:1](=[C:2]1[C:3]([H:8])([H:10])[N:4]([H:9])[C-:5]=[N:6]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H3N2O/c6-3-1-4-2-5-3/h1H2,(H,4,5,6)/q-1/p+1",112.48703,44.61294,
2482,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O:1]([C:2]1=[N:6][C:5]([H:9])([H:10])[N:4]=[C:3]1[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1H,2H2,(H,5,6)",43.917120000000004,10.1238,
2483,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O:1]([C:3](=[C:2]=[N:6][C:5](=[N:4][H:9])[H:10])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c4-3-5-1-2-6/h2-4,6H",106.15433,53.9077,
2484,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[N:4](=[C:5]=[N:6][H:10])[H:9].[O:1]([C:2]#[C:3][H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C2H2O.CH2N2/c1-2-3;2-1-3/h1,3H;2-3H",137.6035,65.44216999999999,
2485,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O:1]([C:2]1=[C:3]([H:8])[N:4]([H:9])[C:5][N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1,4-6H",70.48527,33.992490000000004,
2486,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]([H:9])[C:5]([H:10])=[N:6]1,"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)",66.30796,1.62522,ketoenol
2487,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O:1]([C@:2]1([H:8])[C-:3]=[N+:4]([H:9])[C:5]([H:10])=[N:6]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2-4,6H/t3-/m1/s1",64.495,59.4064,Singlet_Carbene_Intra_Disproportionation
2488,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[C:5](#[N:6])[H:10].[O:1]([C:2]/[C:3](=[N:4]/[H:9])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C2H3NO.CHN/c3-1-2-4;1-2/h1,3-4H;1H/b3-1+;",100.99325999999999,93.09096,
2489,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O:1]([C:2]1=[N:6][C:5]([H:10])=[N:4][C:3]1([H:8])[H:9])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)",45.42844,7.36888,
2490,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O-:1][c:2]1[c:3]([H:8])[n+:4]([H:9])[c:5]([H:10])[n:6]1[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)",46.77042,13.12094,
2491,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O:1]([C-:2](/[C:3](=[N:4]/[H:9])[H:8])[N+:6]#[C:5][H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c1-5-3(6)2-4/h1-2,4,6H/b4-2+",72.06085999999999,68.48604,
2492,[N:1]#[C:2][C:3]([C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N+:1](#[C-:2])[C:3]([C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2,"InChI=1S/C4H4N2/c1-6-4-2-3-5/h2,4H2",60.04166,22.572960000000002,
2493,[O:1]([C:2]1([C:5]#[C:6][H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[C:2]1([C:5]#[C:6][H:12])=[C:4]([H:11])[C:3]1([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C5H6O/c1-2-5(6)3-4-5/h1,6H,3-4H2","InChI=1S/C5H4.H2O/c1-2-5-3-4-5;/h1,3H,4H2;1H2",80.09906,33.61647,
2494,[O:1]([C:2]1([C:5]#[C:6][H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:2]1=[C:5]=[C:6]([H:12])[C:4]([H:10])([H:11])[C:3]1([H:8])[H:9])[H:7],"InChI=1S/C5H6O/c1-2-5(6)3-4-5/h1,6H,3-4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,6H,2,4H2",63.95012,5.2556400000000005,
2495,[O:1]([C:2]1([C:5]#[C:6][H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1](/[C:2](=[C:3](/[C:4]([H:9])([H:10])[H:11])[H:8])[C:5]#[C:6][H:12])[H:7],"InChI=1S/C5H6O/c1-2-5(6)3-4-5/h1,6H,3-4H2","InChI=1S/C5H6O/c1-3-5(6)4-2/h1,4,6H,2H3/b5-4+",70.17446,-12.20675,
2496,[O:1]([C:2]1([C:5]#[C:6][H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:6](=[C:5]=[C:2]1[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:12])[H:7],"InChI=1S/C5H6O/c1-2-5(6)3-4-5/h1,6H,3-4H2","InChI=1S/C5H6O/c6-4-3-5-1-2-5/h4,6H,1-2H2",72.23241999999999,8.34962,
2497,[O:1]([C:2]1([C:5]#[C:6][H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:2]1([C:6](=[C:5])[H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],"InChI=1S/C5H6O/c1-2-5(6)3-4-5/h1,6H,3-4H2","InChI=1S/C5H6O/c1-2-5(6)3-4-5/h2,6H,3-4H2",55.34386,48.74883,Singlet_Carbene_Intra_Disproportionation
2498,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[c:6]1[H:12],[C:1]1([H:7])=[C:2]([H:8])[C:3]([H:9])([H:11])[C:4]([H:10])=[C:5]=[C:6]1[H:12],InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,"InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-3,6H,4H2",106.98,81.4401,
2499,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[c:6]1[H:12],[C:1]12([H:7])[C:2]3([H:8])[C:3]1([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]23[H:12],InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,InChI=1S/C6H6/c1-2-4-5-3(1)6(4)5/h1-6H,105.13891000000001,73.82928000000001,
2500,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[c:6]1[H:12],[C:1](#[C:2][H:8])[H:7].[C:3](#[C:4][H:10])[H:9].[C:5](#[C:6][H:12])[H:11],InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,InChI=1S/3C2H2/c3*1-2/h3*1-2H,204.94483,145.06838,
2501,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[c:6]1[H:12],[C:1]1([H:7])=[C:2]([H:8])[C:3]([H:9])([H:12])[C+:4]([H:10])[C:5]([H:11])=[C-:6]1,InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,"InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-2,5-6H,3H2",129.36239,95.26756,
2502,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([O:5][H:13])([H:12])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])=[C:6]1[H:15])([H:7])([H:8])[H:9].[O:5]([H:13])[H:14],"InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3","InChI=1S/C4H7N.H2O/c1-5-3-2-4-5;/h2-3H,4H2,1H3;1H2",77.05048000000001,16.62849,"1,3_Insertion_ROR"
2503,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([O:5][H:13])([H:12])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:6]([H:15])[C@:4]([O:5][H:13])([H:12])[C:3]1([H:10])[H:11])([H:7])[H:9].[H:8][H:14],"InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3","InChI=1S/C4H7NO.H2/c1-5-2-4(6)3-5;/h2,4,6H,1,3H2;1H/t4-;/m1./s1",67.89168000000001,51.72271,
2504,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([O:5][H:13])([H:12])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:12])[C:3]([H:10])([H:11])[C-:4]([O:5][H:13])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3","InChI=1S/C4H8NO/c1-5-2-4(6)3-5/h6H,2-3H2,1H3/q-1/p+1",78.47674,71.76419,
2505,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([O:5][H:13])([H:12])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:14])[C:3]([H:10])([H:11])[C@@:4]([O:5][H:13])([H:12])[C-:6]1[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3","InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h2,4-6H,3H2,1H3/t4-/m1/s1",71.05447,51.54045,
2506,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([O:5][H:13])([H:12])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:6]([C:4][O:5][H:13])([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3","InChI=1S/C4H9NO/c1-5(2)3-4-6/h6H,3H2,1-2H3",75.15038,45.116009999999996,
2507,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([O:5][H:13])([H:12])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([N+:2]1=[C:6]([H:14])[C:4]([O:5][H:13])([H:12])[C-:3]1[H:11])([H:7])([H:8])[H:9].[H:10][H:15],"InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3","InChI=1S/C4H7NO.H2/c1-5-2-4(6)3-5;/h2-4,6H,1H3;1H",81.25126,68.37866,
2508,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]([C:4]([H:12])([H:13])[H:14])[N+:5]1([C:6]([H:15])([H:16])[H:17])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-4-5(2)6(4)3/h4-5H,1-3H3/t4-,5+,6?","InChI=1S/C5H11N/c1-4-5(2)6(4)3/h4,6H,1-3H3/t4-/m0/s1",76.11062,54.03775,
2509,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:5]/[C:3]([C:4]([H:12])([H:13])[H:14])([C:6]([H:15])([H:16])[H:17])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-4-5(2)6(4)3/h4-5H,1-3H3/t4-,5+,6?","InChI=1S/C5H11N/c1-4-6-5(2)3/h4-5H,1-3H3/b6-4+",92.97077,-19.13822,
2510,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([C-:2]([N+:5](=[C:3]([C:4]([H:12])([H:13])[H:14])[H:11])[C:6]([H:15])([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-4-5(2)6(4)3/h4-5H,1-3H3/t4-,5+,6?","InChI=1S/C5H11N/c1-4-6(3)5-2/h4-5H,1-3H3",51.251940000000005,26.31235,
2511,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([C:4]([H:12])([H:13])[H:14])=[N+:5]1[C-:6]([H:16])[H:17])([H:7])([H:8])[H:9].[H:11][H:15],"InChI=1S/C5H11N/c1-4-5(2)6(4)3/h4-5H,1-3H3/t4-,5+,6?","InChI=1S/C5H9N.H2/c1-4-5(2)6(4)3;/h4H,3H2,1-2H3;1H/t4-;/m0./s1",83.94797,70.06153,
2512,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]([H:11])[N+:5]1([C:4]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-4-5(2)6(4)3/h4-5H,1-3H3/t4-,5+,6?","InChI=1S/C5H11N/c1-5-4-6(5,2)3/h4-5H,1-3H3/t5-/m0/s1",107.60405,58.604690000000005,
2513,[O:1]([c:2]1[n:3][o:4][n:5][n:6]1)[H:7],[O:1]=[c:2]1[n-:3][o:4][n:5][n+:6]1[H:7],"InChI=1S/CHN3O2/c5-1-2-4-6-3-1/h(H,3,5)","InChI=1S/CHN3O2/c5-1-2-4-6-3-1/h(H,3,5)",56.981080000000006,19.77544,ketoenol
2514,[O:1]([c:2]1[n:3][o:4][n:5][n:6]1)[H:7],[N:5]#[N:6].[O:1]([C:2]#[N+:3][O-:4])[H:7],"InChI=1S/CHN3O2/c5-1-2-4-6-3-1/h(H,3,5)",InChI=1S/CHNO2.N2/c3-1-2-4;1-2/h3H;,22.84587,-7.00318,
2515,[O:1]([c:2]1[n:3][o:4][n:5][n:6]1)[H:7],[O:1]([N:3]=[C:2]=[N:6][N:5]=[O:4])[H:7],"InChI=1S/CHN3O2/c5-1-2-4-6-3-1/h(H,3,5)",InChI=1S/CHN3O2/c5-3-1-2-4-6/h5H,93.57615,56.29363000000001,
2516,[O:1]([c:2]1[n:3][o:4][n:5][n:6]1)[H:7],[O:1]([C:2]#[N:3])[H:7].[O:4]=[N+:5]=[N-:6],"InChI=1S/CHN3O2/c5-1-2-4-6-3-1/h(H,3,5)",InChI=1S/CHNO.N2O/c2-1-3;1-2-3/h3H;,44.65603,-11.19326,
2517,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]\[H:10])[O:6]/[C:5](=[N:4]/[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3(5)6-2-4/h2,4-5H,1H3/b4-2+,5-3+",57.59823000000001,19.1086,ketoenol
2518,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]([H:10])[O:6][C:5]([H:7])([H:12])[N:4]1[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3-4-2-6-5-3/h4-5H,1-2H2",126.77662,65.56025,
2519,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C+:2]([N:3]([H:10])[H:12])[N-:4][H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H6N2.CO/c1-2(3)4;1-2/h3H,4H2,1H3;",40.38593,9.16076,"1,2_Insertion_CO"
2520,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]\[H:10])[N+:4](=[C-:5][O:6][H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3(4)5-2-6/h4-6H,1H3/b4-3+",71.58991,34.46926,
2521,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C:5](=[O:6])[H:12])([H:7])([H:8])[H:9].[C:2](=[N:3][H:10])=[N:4][H:11],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H4O.CH2N2/c1-2-3;2-1-3/h2H,1H3;2-3H",95.51529000000001,25.8951,
2522,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]12[N:3]([H:10])[O:6][C@@:5]1([H:12])[N:4]2[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3-2(4-3)6-5-3/h2,4-5H,1H3/t2-,3+/m1/s1",130.91476,93.10144,
2523,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2]([N:3]([H:10])[H:11])=[N:4]/[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)",29.595840000000003,-1.83795,
2524,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]([H:7])[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1,4H2,(H,5,6)",61.87862,8.72627,
2525,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([N+:3](=[C-:2][N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-4-2-5-3-6/h3-4H,1H3,(H,5,6)",92.77309,32.77319,
2526,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)",43.149190000000004,-0.17998,
2527,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1](=[N:2][C-:3]([N+:4]([H:9])([H:10])[H:11])[C:5]#[N:6])([H:7])[H:8],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H2,5H3",60.650209999999994,51.43417,
2528,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C+:1]([N:2]([C:3]([N:4]([H:10])[H:11])=[C:5]=[N-:6])[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-6-3(5)2-4/h6H,1,5H2",70.73558,34.441790000000005,
2529,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1](=[N:2][C@@:3]([N:4]([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-6-3(5)2-4/h3H,1,5H2/t3-/m1/s1",100.67374000000001,13.542470000000002,
2530,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]([N:4]([H:10])[H:11])[N+:6]#[C-:5])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-5-3(4)6-2/h1H3,(H2,4,5)",46.812090000000005,15.956760000000001,
2531,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([N:4]([H:10])[H:11])([H:7])([H:8])[H:9].[N:2]#[C:3][C:5]#[N:6],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C2N2.CH5N/c3-1-2-4;1-2/h;2H2,1H3",94.24035,21.08383,
2532,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[N-:2][C:3]([N:4]([H:10])[H:11])=[C:5]=[N+:6]1[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H4N3/c4-3-1-5-2-6-3/h2,4H2/q-1/p+1",73.88566,22.98159,
2533,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1](=[N:2]/[C:3](=[N:4]/[H:11])[C:5]#[N:6])([H:7])[H:8].[H:9][H:10],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H3N3.H2/c1-6-3(5)2-4;/h5H,1H2;1H/b5-3+;",61.000209999999996,34.03054,
2534,[C:1]([C:2]([C:3]([C:4]([C:5]([H:15])([H:16])[H:17])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:9])([H:6])([H:7])[H:8].[C:4](=[C:5]([H:16])[H:17])([H:13])[H:14].[H:10][H:15],"InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3","InChI=1S/C3H6.C2H4.H2/c1-3-2;1-2;/h3H,1H2,2H3;1-2H2;1H",96.27136,53.333909999999996,
2535,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:4]([N:3]([C:6]([H:13])([H:14])[H:15])[H:12])=[O:5])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)",116.50568,2.08367,
2536,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]=[C:4]=[O:5])([H:10])[H:11])([H:7])([H:8])[H:9].[C:6]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C3H5NO.CH4/c1-2-4-3-5;/h2H2,1H3;1H4",80.95989,11.31343,
2537,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[N:3](=[C:4](/[O:5][H:9])[C:6]([H:13])([H:14])[H:15])\[H:12],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C2H5NO.C2H4/c1-2(3)4;1-2/h1H3,(H2,3,4);1-2H2",61.37902,29.772509999999997,Retroene
2538,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]\[H:12])[H:10])([H:7])([H:8])[H:9].[C:4](=[O:5])([C:6]([H:13])([H:14])[H:15])[H:11],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C2H5N.C2H4O/c2*1-2-3/h2-3H,1H3;2H,1H3/b3-2-;",87.82579,34.24299,
2539,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:5]/[C:4](=[N:3]/[H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-6-4(2)5/h5H,3H2,1-2H3/b5-4+",73.31449,14.99445,ketoenol
2540,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O+:5]=[C:4]([N:3]([C-:2]([H:10])[H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-4(5-2)6-3/h5H,2H2,1,3H3",105.08461000000001,76.88067,
2541,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[N:3]=[C:4](/[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)",43.14222,12.79919,ketoenol
2542,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C-:4]=[O+:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-5-4-6-2/h5H,3H2,1-2H3",107.46412,55.05256,
2543,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[N:3](=[C:4]=[O:5])[C:6]([H:13])([H:14])[H:15],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)",InChI=1S/C2H3NO.C2H6/c1-3-2-4;1-2/h1H3;1-2H3,90.29262,15.43113,
2544,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C:4]([O:5][H:15])=[C:6]([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-5-4(2)6/h5-6H,2-3H2,1H3",63.60033000000001,25.96418,ketoenol
2545,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C@@:4]1([H:15])[O:5][C:6]1([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-2-5-4-3-6-4/h4-5H,2-3H2,1H3/t4-/m0/s1",114.6017,48.13564,
2546,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[N:3]=[C:4]1\[O:5][C:6]1([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:15],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H7NO.H2/c1-2-5-4-3-6-4;/h2-3H2,1H3;1H/b5-4-;",109.95258999999999,71.18603,
2547,[C:1](#[C:2][C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](#[C:2][C:3]([C:4]([N+:6]#[C-:5])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C5H5N/c1-2-3-4-5-6/h1H,3-4H2","InChI=1S/C5H5N/c1-3-4-5-6-2/h1H,4-5H2",59.935269999999996,22.64305,
2548,[C:1](#[C:2][C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](=[C:2])([C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C5H5N/c1-2-3-4-5-6/h1H,3-4H2","InChI=1S/C5H5N/c1-2-3-4-5-6/h2H,3-4H2",59.890330000000006,50.60853,Singlet_Carbene_Intra_Disproportionation
2549,[C:1](#[C:2][C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](=[C:2]=[C:3]([H:8])[H:9])([N:6]=[C:5]=[C:4]([H:10])[H:11])[H:7],"InChI=1S/C5H5N/c1-2-3-4-5-6/h1H,3-4H2","InChI=1S/C5H5N/c1-3-5-6-4-2/h5H,1-2H2",55.81154,28.13862,
2550,[C:1](#[C:2][C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](/[C:2](=[C:3](\[C:4]([C:5]#[N:6])([H:10])[H:11])[H:8])[H:9])[H:7],"InChI=1S/C5H5N/c1-2-3-4-5-6/h1H,3-4H2","InChI=1S/C5H5N/c1-2-3-4-5-6/h1-3H,4H2/b3-2-",80.55591,61.535540000000005,
2551,[C:1](#[C:2][C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](=[C:2]1[C:3]([H:8])([H:9])[C@@:4]1([C:5]#[N:6])[H:10])([H:7])[H:11],"InChI=1S/C5H5N/c1-2-3-4-5-6/h1H,3-4H2","InChI=1S/C5H5N/c1-4-2-5(4)3-6/h5H,1-2H2/t5-/m1/s1",91.24339,3.7437,
2552,[O:1]=[c:2]1[o:3][n:4][n:5][o:6]1,[N-:4]=[N+:5]=[O:6].[O:1]=[C:2]=[O:3],InChI=1S/CN2O3/c4-1-5-2-3-6-1,InChI=1S/CO2.N2O/c2-1-3;1-2-3,16.45188,-54.62746,
2553,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C-:2]([C:3]([H:11])([H:12])[H:13])[C@@:4]1([H:14])[C:5]([H:16])=[O+:6]1)([H:7])([H:8])[H:9].[H:10][H:15],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H8O.H2/c1-4(2)5-3-6-5;/h3,5H,1-2H3;1H/t5-;/m1./s1",135.31804,94.51302,
2554,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:4]([O:6][C:3]([H:11])([H:12])[H:13])([H:14])[C:5]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5-/m1/s1",124.41297,6.55143,
2555,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([C:5]([O:6][H:10])([H:15])[H:16])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3",62.09438000000001,-10.21464,
2556,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[C:2](=[C:3]([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C4H6O.CH4/c1-2-4-3-5-4;/h2,4H,1,3H2;1H4/t4-;/m0./s1",115.81011000000001,19.64507,
2557,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[H:10])([H:8])[H:9].[C:4]([C:5]([H:7])([H:15])[H:16])(=[O:6])[H:14],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2H,1H3",78.05202,-0.39996,
2558,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([H:10])[H:14])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:15])[H:16],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C4H8.CH2O/c1-4(2)3;1-2/h1H2,2-3H3;1H2",80.49016,5.21087,
2559,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O+:6][C-:5]([H:15])[H:16])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-5(2)4-6-3/h4-5H,3H2,1-2H3",71.41848,51.21471,
2560,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4][C:5]([O:6][H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-5(2)3-4-6/h5-6H,4H2,1-2H3",70.89941,66.25555,
2561,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])([H:13])[C@@:4]1([C:5]([O:6][H:11])([H:15])[H:16])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1",68.83572,-3.71941,
2562,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:14].[C:2](\[C:3]([H:11])([H:12])[H:13])(=[C:4]1/[C:5]([H:15])([H:16])[O:6]1)[H:10],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C4H6O.CH4/c1-2-4-3-5-4;/h2H,3H2,1H3;1H4/b4-2-;",128.12266,23.44926,
2563,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]([C:5][H:15])([O:6][H:16])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-4(2)5(3)6/h3-6H,1-2H3/t5-/m1/s1",71.18805,67.50253000000001,
2564,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O+:6]=[C-:5][H:15])([H:14])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-5(2)4-6-3/h3,5H,4H2,1-2H3",77.10974,47.34,
2565,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9].[C:3]([H:12])[H:13],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C4H8O.CH2/c1-2-4-3-5-4;/h4H,2-3H2,1H3;1H2/t4-;/m0./s1",106.67178999999999,112.9818,"1,2_Insertion_carbene"
2566,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9].[C:3]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C4H6O.CH4/c1-2-4-3-5-4;/h4H,3H2,1H3;1H4/t4-;/m0./s1",91.76921999999999,85.51924,
2567,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C-:4]=[O+:6][C:5]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-5(2)4-6-3/h5H,1-3H3",75.28461999999999,38.32484,
2568,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:6][C:5]([C:4][H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-4-6-5(2)3/h1,5H,4H2,2-3H3",111.52677,79.17859,
2569,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[N:1]1([H:7])[C@@:2]([C@@:6]2([H:12])[C:4][N:5]2[H:11])([H:8])[C:3]1([H:9])[H:10],"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+","InChI=1S/C4H6N2/c1-3(5-1)4-2-6-4/h3-6H,1H2/t3-,4+/m0/s1",59.941959999999995,14.77317,
2570,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[H:8][H:12].[N:1]1([H:7])[C-:2][C@:3]1([C@:4]1([H:10])[N:5]([H:11])[C+:6]1)[H:9],"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+","InChI=1S/C4H4N2.H2/c1-3(5-1)4-2-6-4;/h3-6H;1H/t3-,4+;",139.97413999999998,80.72325,
2571,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[N:1]([C@:3]1([H:9])[C@@:2]2([H:8])[C@:4]1([H:10])[N:5]=[C:6]2[H:12])([H:7])[H:11],"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+","InChI=1S/C4H6N2/c5-3-2-1-6-4(2)3/h1-4H,5H2/t2-,3+,4-/m0/s1",47.56646,-20.81502,
2572,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[N:1]1=[C:2]([H:8])[C@@:6]2([H:12])[C@@:4]([H:10])([C:3]1([H:7])[H:9])[N:5]2[H:11],"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+","InChI=1S/C4H6N2/c1-3-4(6-3)2-5-1/h1,3-4,6H,2H2/t3-,4+/m0/s1",49.818540000000006,-50.969770000000004,
2573,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@:6]2([N:5]([C:4][H:10])[H:11])[H:12],"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+","InChI=1S/C4H6N2/c1-5-2-3-4(2)6-3/h1-6H/t2-,3+,4-",67.54175,29.6452,
2574,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[N:1]1([H:7])[C@:3]2([H:9])[C:2]([H:8])=[C:6]([H:12])[N:5]([H:11])[C@:4]12[H:10],"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+","InChI=1S/C4H6N2/c1-2-5-4-3(1)6-4/h1-6H/t3-,4-/m1/s1",57.770880000000005,-49.50008,
2575,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[N:1]1=[C:2]([H:8])[C@@:6]([N:5]([H:7])[H:11])([H:12])[C:4]([H:10])=[C:3]1[H:9],"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-4H,5H2/t4-/m1/s1",47.48437,-61.871,
2576,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[N:1]1([H:7])[C:2]([H:8])=[C:6]([H:12])[N:5]([H:11])[C:4]([H:10])=[C:3]1[H:9],"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+",InChI=1S/C4H6N2/c1-2-6-4-3-5-1/h1-6H,50.55624,-57.972919999999995,
2577,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C:4]([H:10])([H:12])[N:5]([H:11])[C:6]2,"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+","InChI=1S/C4H6N2/c1-3-4(6-3)2-5-1/h3-6H,1H2/t3-,4+/m0/s1",58.07733,-16.86886,
2578,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H7NO.H2/c1-3(6)4-2-5-4;/h4-5H,2H2,1H3;1H/t4-;/m1./s1",85.63545,17.66538,
2579,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([O:3][H:11])([H:7])([H:8])[H:9].[C:2]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C3H5N.CH4O/c1-3-2-4-3;1-2/h1,3-4H,2H2;2H,1H3/t3-;/m0./s1",125.40969,103.85151,
2580,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])(/[C:4](=[N:6]/[C:5]([H:13])([H:14])[H:15])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H9NO/c1-4(6)3-5-2/h3-4,6H,1-2H3/b5-3+/t4-/m1/s1",61.83449,-12.76949,
2581,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4]([N:6]=[C:5]([H:13])[H:14])([H:12])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H9NO/c1-4(6)3-5-2/h4,6H,2-3H2,1H3/t4-/m1/s1",66.66099,-8.500919999999999,
2582,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4]([N:6]([C:5][H:13])[H:15])([H:12])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H9NO/c1-4(6)3-5-2/h2,4-6H,3H2,1H3/t4-/m1/s1",71.8372,31.35257,
2583,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4][N:6]([C:5]([H:12])([H:13])[H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H9NO/c1-4(6)3-5-2/h4-6H,1-2H3/t4-/m1/s1",68.22934000000001,31.352259999999998,
2584,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4]1\[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9].[O:3]([H:11])[H:12],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H7N.H2O/c1-2-4-3-5-4;/h2,5H,3H2,1H3;1H2/b4-2+;",77.63516,21.156470000000002,"1,3_Insertion_ROR"
2585,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:13])[H:14])([N:6]([H:11])[H:15])[H:12],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C2H5N.C2H4O/c2*1-2-3/h2H,1,3H2;2H,1H3",68.77539,-2.4026099999999997,
2586,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C-:5]([H:14])[N+:6]1([H:13])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h2-4,6H,5H2,1H3/t3-,4-/m1/s1",68.22765,46.92982,
2587,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C+:4]([N:6]([C-:5]([H:13])[H:14])[H:15])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H9NO/c1-4(6)3-5-2/h3-6H,2H2,1H3/t4-/m1/s1",53.61881999999999,28.72437,
2588,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:8])[H:9].[H:7][H:11],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H7NO.H2/c6-2-1-4-3-5-4;/h2,4-5H,1,3H2;1H/t4-;/m0./s1",110.86918,24.0844,
2589,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([N:6]([C@@:4]1([H:12])[C@:2]([O:3][H:11])([H:10])[C:5]1([H:13])[H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H9NO/c1-5-3-2-4(3)6/h3-6H,2H2,1H3/t3-,4+/m1/s1",126.39712,5.40193,
2590,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:4]1([H:12])[C@:2]([O:3][H:11])([H:10])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H9NO/c1-3-4(6)2-5-3/h3-6H,2H2,1H3/t3-,4-/m0/s1",100.35746999999999,0.32578,
2591,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:8])[H:9].[O:3]([H:7])[H:11],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H7N.H2O/c1-2-4-3-5-4;/h2,4-5H,1,3H2;1H2/t4-;/m0./s1",68.59823,16.41333,"1,3_Insertion_ROR"
2592,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([O:3][H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C3H5NO.CH4/c5-2-3-1-4-3;/h3-5H,1H2;1H4/t3-;/m1./s1",81.78239,58.65493000000001,
2593,[C:1]([O:2][C:3](=[O:4])[N:5]([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][N:5]=[C:3]=[O:4])([H:6])([H:7])[H:8].[H:9][H:10],"InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)",InChI=1S/C2H3NO2.H2/c1-5-3-2-4;/h1H3;1H,121.79881999999999,85.89737,
2594,[C:1]([O:2][C:3](=[O:4])[N:5]([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2]/[C:3]([O:4][H:10])=[N:5]\[H:9])([H:6])([H:7])[H:8],"InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)","InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)",49.93898,19.24479,ketoenol
2595,[C:1]([O:2][C:3](=[O:4])[N:5]([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][H:9])([H:6])([H:7])[H:8].[C:3](=[O:4])=[N:5][H:10],"InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)","InChI=1S/CHNO.CH4O/c2-1-3;1-2/h2H;2H,1H3",53.736259999999994,21.53276,"1,3_Insertion_ROR"
2596,[C:1](#[C:2][C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[C:1](#[C:2][C:3](=[C:4]=[N:5][H:7])[H:8])[H:6],"InChI=1S/C4H3N/c1-2-3-4-5/h1H,3H2","InChI=1S/C4H3N/c1-2-3-4-5/h1,3,5H",84.67061,17.85771,
2597,[C:1](#[C:2][C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[C:1](=[C:2]=[C:3]([C:4]#[N:5])[H:8])([H:6])[H:7],"InChI=1S/C4H3N/c1-2-3-4-5/h1H,3H2","InChI=1S/C4H3N/c1-2-3-4-5/h3H,1H2",74.72821,-5.0066,
2598,[C:1](#[C:2][C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[C:1](=[C:2]=[C:3]([H:7])[H:8])([N+:5]#[C-:4])[H:6],"InChI=1S/C4H3N/c1-2-3-4-5/h1H,3H2","InChI=1S/C4H3N/c1-3-4-5-2/h4H,1H2",102.7899,19.611720000000002,
2599,[C:1](#[C:2][C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[C:1](#[C:2][C:3]([N+:5]#[C-:4])([H:7])[H:8])[H:6],"InChI=1S/C4H3N/c1-2-3-4-5/h1H,3H2","InChI=1S/C4H3N/c1-3-4-5-2/h1H,4H2",59.88469,23.67173,
2600,[C:1](#[C:2][C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[C:1](=[C:2])([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],"InChI=1S/C4H3N/c1-2-3-4-5/h1H,3H2","InChI=1S/C4H3N/c1-2-3-4-5/h2H,3H2",61.08238000000001,49.557590000000005,Singlet_Carbene_Intra_Disproportionation
2601,[C:1](#[C:2][C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[C:1](#[C:2][N:5]=[C:4]=[C:3]([H:7])[H:8])[H:6],"InChI=1S/C4H3N/c1-2-3-4-5/h1H,3H2","InChI=1S/C4H3N/c1-3-5-4-2/h1H,2H2",117.0891,28.8376,
2602,[C:1](#[C:2][C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[C:1](/[C:2](=[C:3](\[C:4]#[N:5])[H:8])[H:7])[H:6],"InChI=1S/C4H3N/c1-2-3-4-5/h1H,3H2",InChI=1S/C4H3N/c1-2-3-4-5/h1-3H/b3-2-,74.77365,61.57739,
2603,[C:1](#[C:2][C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[C:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]1=[N:5][H:6],"InChI=1S/C4H3N/c1-2-3-4-5/h1H,3H2","InChI=1S/C4H3N/c1-3-2-4(3)5/h5H,2H2",105.69782,80.62978000000001,
2604,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([O:6][C:5]([C:4][H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3-6-4(2)5/h1,4-5H,3H2,2H3/t4-/m0/s1",104.38476999999999,73.31477,
2605,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:4]([O:6][O:3][H:11])([H:12])[C:5]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3-2-4(3)6-5/h3-5H,2H2,1H3/t3-,4-/m1/s1",137.44755,52.73817,
2606,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1](/[C:4](=[C:2](/[O:3][H:11])[H:10])[H:12])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:13])[H:14],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2-4H,1H3;1H2/b3-2+;",75.3339,5.81445,
2607,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4](=[O+:6][C-:5]([H:13])[H:14])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h3-5H,2H2,1H3/t4-/m1/s1",69.29941,53.936280000000004,
2608,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4]([O+:6]=[C-:5][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h2,4-5H,3H2,1H3/t4-/m1/s1",77.21426,47.6645,
2609,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:11])=[C:4](\[C:5]([O:6][H:10])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h2,5-6H,3H2,1H3/b4-2+",65.08471,-14.150820000000001,
2610,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[C@:2]1([O:3][H:11])([H:10])[C@@:4]2([H:12])[C@:5]1([H:14])[O:6]2,"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C3H4O2.CH4/c4-1-2-3(1)5-2;/h1-4H;1H4/t1-,2-,3+;",112.74112,53.052530000000004,
2611,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:11])[H:10])([H:7])[H:8].[C:4]([C:5]([H:9])([H:13])[H:14])(=[O:6])[H:12],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/2C2H4O/c2*1-2-3/h2H,1H3;2-3H,1H2",81.27020999999999,-0.8820100000000001,
2612,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[C:2](=[O:3])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C3H4O2.CH4/c4-1-3-2-5-3;/h1,3H,2H2;1H4/t3-;/m0./s1",87.58058,10.6426,
2613,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c1-3(5)4-2-6-4;/h4H,2H2,1H3;1H/t4-;/m1./s1",86.48635999999999,17.38589,
2614,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4][C:5]([O:6][H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h4-6H,3H2,1H3/t4-/m1/s1",70.89671,64.31495,
2615,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4]1\[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9].[O:3]([H:11])[H:12],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c1-2-4-3-5-4;/h2H,3H2,1H3;1H2/b4-2+;",79.35987,18.96002,"1,3_Insertion_ROR"
2616,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C-:4]=[O+:6][C:5]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h4-5H,1-2H3/t4-/m1/s1",77.66214000000001,37.91894,
2617,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:13])([C@@:4]([C:5][H:14])([O:6][H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3(5)4(2)6/h1,3-6H,2H3/t3-,4-/m1/s1",67.65983,62.02478000000001,
2618,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@@:4]1([C:5]([O:6][H:11])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1",57.510380000000005,-0.75074,
2619,[O:1]([C:2]([C:3]([C:4]#[N:5])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3]([N+:5]#[C-:4])([H:9])[H:10])([H:7])[H:8])[H:6],"InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2","InChI=1S/C3H5NO/c1-4-2-3-5/h5H,2-3H2",60.382690000000004,23.216379999999997,
2620,[O:1]([C:2]([C:3]([C:4]#[N:5])([H:9])[H:10])([H:7])[H:8])[H:6],[C:3]([C:4]#[N:5])([H:7])([H:9])[H:10].[O:1]([C:2][H:8])[H:6],"InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2",InChI=1S/C2H3N.CH2O/c1-2-3;1-2/h1H3;1-2H,81.47775,66.79791,
2621,[O:1]([C:2]([C:3]([C:4]#[N:5])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3](=[C:4]=[N:5][H:9])[H:10])([H:7])[H:8])[H:6],"InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2","InChI=1S/C3H5NO/c4-2-1-3-5/h1,4-5H,3H2",92.28945999999999,24.790470000000003,
2622,[O:1]([C:2]([C:3]([C:4]#[N:5])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2]([N:5]=[C:4]=[C:3]([H:9])[H:10])([H:7])[H:8])[H:6],"InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2","InChI=1S/C3H5NO/c1-2-4-3-5/h5H,1,3H2",81.12145,26.11897,
2623,[O:1]([C:2]([C:3]([C:4]#[N:5])([H:9])[H:10])([H:7])[H:8])[H:6],[C:2](=[C:3]([C:4]#[N:5])[H:10])([H:7])[H:8].[O:1]([H:6])[H:9],"InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2","InChI=1S/C3H3N.H2O/c1-2-3-4;/h2H,1H2;1H2",60.04015,11.41845,"1,3_Insertion_ROR"
2624,[O:1]([C:2]([C:3]([C:4]#[N:5])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]1[C:2]([H:7])([H:8])[C:3]([H:9])([H:10])/[C:4]1=[N:5]/[H:6],"InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2","InChI=1S/C3H5NO/c4-3-1-2-5-3/h4H,1-2H2/b4-3-",75.38135,11.27769,
2625,[O:1]([C:2]([C:3]([C:4]#[N:5])([H:9])[H:10])([H:7])[H:8])[H:6],[C:4]=[N:5][H:7].[O:1]([C:2](=[C:3]([H:9])[H:10])[H:8])[H:6],"InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2","InChI=1S/C2H4O.CHN/c1-2-3;1-2/h2-3H,1H2;2H",98.97022,40.52665,
2626,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:5]([C:4]([O+:3]=[C-:2][H:10])([H:11])[H:12])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6O2/c1-4(5)3-6-2/h2H,3H2,1H3",67.73693,47.07846,
2627,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:12])=[C:5]1[O:6][H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h2-3,5H,1H3/t3-/m1/s1",82.4259,19.451320000000003,ketoenol
2628,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:5]([C:4]([O:3][H:10])([H:11])[H:12])[O-:6])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h5H,3H2,1H3",65.48453,56.936409999999995,
2629,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@:4]2([H:11])[C@@:5]1([H:12])[O:6]2)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6O2/c1-2-3-4(5-2)6-3/h2-4H,1H3/t2-,3+,4+/m1/s1",61.908030000000004,27.200329999999997,
2630,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([O:6][H:10])[C:4]([H:11])([H:12])[O:3]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h5H,2H2,1H3",78.45821,17.60641,ketoenol
2631,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:5]([C:4]([O:3][H:8])([H:11])[H:12])=[O:6])[H:10])([H:7])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h2,5H,1,3H2",61.99443,-4.625319999999999,
2632,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:5]2([O:3][C:4]2([H:11])[H:12])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6O2/c1-3-4(6-3)2-5-4/h3H,2H2,1H3/t3-,4-/m0/s1",73.96999,28.276459999999997,
2633,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1=[O+:3][C:4]([H:11])([H:12])[C:5]=1[O-:6],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1",InChI=1S/C3H2O2.CH4/c4-3-1-5-2-3;/h1H2;1H4,85.41023,67.98349,
2634,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][C:4]([C:5](=[O:6])[H:8])([H:11])[H:12])[H:10])([H:7])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6O2/c1-2-6-4-3-5/h2-3H,1,4H2",79.22494,7.08793,
2635,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:5](=[C+:4][H:12])[O-:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6O2/c1-3(5)4(2)6/h1,4,6H,2H3/t4-/m1/s1",67.26886999999999,55.1273,
2636,[C:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C+:4][C:5]#[C-:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,4H2,2H3","InChI=1S/C6H6/c1-3-5-6-4-2/h5H,3H2,1H3",106.09256,51.46007,
2637,[C:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]12[C:4]3=[C:5]1[C:6]23[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,4H2,2H3","InChI=1S/C6H6/c1-2-6-3-4(6)5(3)6/h3H,2H2,1H3",93.24324,73.43478,
2638,[C:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:4](=[C:3])[C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,4H2,2H3","InChI=1S/C6H6/c1-4-6(3)5-2/h1H,5H2,2H3",61.16124,56.308119999999995,
2639,[C:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]=[C:5]=[C:6]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,4H2,2H3","InChI=1S/C6H6/c1-3-5-6-4-2/h4H,1H2,2H3",80.18448000000001,6.19034,Intra_ene_reaction
2640,[C:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C-:4]=[C:5]=[C+:6][H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,4H2,2H3","InChI=1S/C6H6/c1-3-5-6-4-2/h1,4,6H,2H3/b6-4-",72.47444,50.83055,
2641,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N+:5]1([C:6]([H:15])([H:16])[H:17])[C-:3]([H:12])[C:4]1([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H11N/c1-3-6(2)4-5-6/h4H,3,5H2,1-2H3",107.95226000000001,56.60375,
2642,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C-:3]1[C:4]([H:13])([H:14])[N+:5]1([C:6]([H:15])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H11N/c1-3-5-4-6(5)2/h6H,3-4H2,1-2H3",75.3683,52.02863,
2643,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:4]([N:5]([C:6]([H:15])([H:16])[H:17])[H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H11N/c1-3-4-5-6-2/h6H,3,5H2,1-2H3",75.35545,61.83249,
2644,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([N:5]([C:4]([C:3](=[C:2]([H:10])[H:11])[H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H11N/c1-4-5-6(2)3/h4H,1,5H2,2-3H3",107.66923999999999,-0.97945,
2645,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[N+:5]([C-:4]([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H11N/c1-4-5-6(2)3/h5H,2,4H2,1,3H3",47.98118,28.70008,
2646,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:14])=[N+:5]1[C-:6]([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:15],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9N.H2/c1-3-5-4-6(5)2;/h4-5H,2-3H2,1H3;1H/t5-;/m0./s1",86.30646999999999,70.22776999999999,
2647,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([N:5]=[C:4]([H:13])[H:14])([C:6]([H:15])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H11N/c1-4-5(2)6-3/h5H,3-4H2,1-2H3/t5-/m0/s1",91.9408,-15.167110000000001,
2648,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:13])([H:7])([H:8])[H:9].[C:3]1([H:12])=[C:4]([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C3H5N.C2H6/c1-4-2-3-4;1-2/h2-3H,1H3;1-2H3",127.08514,62.306219999999996,
2649,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[N:5]\[C:4]([C:6]([H:15])([H:16])[H:17])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H11N/c1-3-5-6-4-2/h5H,3-4H2,1-2H3/b6-5-",92.30998000000001,-15.51344,
2650,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]1=[N+:5]([C-:6]([H:16])[H:17])[C:4]1([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:15],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9N.H2/c1-3-5-4-6(5)2;/h2-4H2,1H3;1H",84.38358000000001,70.51146,
2651,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[C-:4]([H:14])[N+:5]1([C:6]([H:15])([H:16])[H:17])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H11N/c1-3-5-4-6(5)2/h4-6H,3H2,1-2H3/t5-/m0/s1",64.86965,51.45935,
2652,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:6]=[N:5][H:11])([H:7])([H:8])[H:9].[C:3](#[N:4])[H:10],"InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3","InChI=1S/C2H4N2.CHN/c1-4-2-3;1-2/h3H,1H3;1H",95.73786,13.9269,
2653,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C@:6]1([H:11])[N:2]=[C:3]([H:10])[N:4]=[N:5]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-3-4-2-5-6-3/h2-3H,1H3/t3-/m1/s1",65.72362,16.54939,
2654,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[N-:4][N+:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-4-3-6-5-2/h2-3H,1H3/b4-3+",67.11851,58.16771,
2655,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[N:4]1[N:5]=[C:6]1[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-4-2-6-3-5-6/h2-3H,1H3/b4-2+",104.65236999999999,70.96709,
2656,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C-:1]([N+:2]1([H:8])[C:3]([H:10])=[N:4][N:5]=[C:6]1[H:11])([H:7])[H:9],"InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3,6H,1H2",100.79138,99.90288000000001,
2657,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C-:1]([n+:2]1[c:3]([H:10])[n:4][n:5]([H:8])[c:6]1[H:11])([H:7])[H:9],"InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-4H,1H2",126.42437,52.999390000000005,
2658,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1](=[N:2]/[C:6](=[N:5]\[N+:4]#[C-:3])[H:11])([H:7])[H:9].[H:8][H:10],"InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3","InChI=1S/C3H3N3.H2/c1-4-3-6-5-2;/h3H,1H2;1H/b6-3-;",126.53488,76.88065,
2659,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1](=[N+:2]1[C:3]([H:8])([H:10])[N-:4][N:5]=[C:6]1[H:11])([H:7])[H:9],"InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2H,1,3H2",106.39277,55.3483,
2660,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:3]([N:4]([H:10])[H:11])[C@:5]1([O:6][H:9])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-5-2(4)3(5)6/h3,6H,1,4H2/t3-/m1/s1",85.20506,78.35168,
2661,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C-:5]=[O+:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-5-3(4)2-6/h6H,1H3,(H2,4,5)",85.2023,56.33643000000001,
2662,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C+:1]([N:2]([C:3]([N:4]([H:10])[H:11])=[C:5]([O-:6])[H:12])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2,5H,1,4H2",69.51674,32.01536,
2663,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([N:2]([C:3][N:4]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C2H6N2.CO/c1-4-2-3;1-2/h4H,3H2,1H3;",51.728640000000006,28.42393,
2664,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)",51.26828,8.3311,
2665,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1](=[N:2]/[C:3]([N:4]([H:10])[H:11])=[C:5](\[O:6][H:9])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2,6H,1,4H2/b3-2-",47.9557,23.96228,
2666,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1](=[N:2][C:3]([N+:4]([H:9])([H:10])[H:11])=[C:5]([O-:6])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2,6H,1,4H2",56.4851,35.05526,
2667,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:5](/[C:3]([N:4]([H:10])[H:11])=[O:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-5-2-3(4)6/h2H,1H3,(H2,4,6)/b5-2+",79.31318,-10.38451,
2668,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([N+:2]#[C-:3])([H:7])([H:8])[H:9].[N:4]([H:10])([H:11])[H:12],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)",InChI=1S/C2H3N.CO.H3N/c1-3-2;1-2;/h1H3;;1H3,81.71735,23.35977,
2669,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N:4]([H:10])[H:11])([H:7])([H:8])[H:9].[N:2]#[C:3][C:5](=[O:6])[H:12],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C2HNO.CH5N/c3-1-2-4;1-2/h2H;2H2,1H3",98.24154,26.04577,
2670,[C:1](#[C:2][C:3]([C:4]#[C:5][H:9])([H:7])[H:8])[H:6],[C:1](#[C:2][C:3]([C:5](=[C:4])[H:9])([H:7])[H:8])[H:6],"InChI=1S/C5H4/c1-3-5-4-2/h1-2H,5H2","InChI=1S/C5H4/c1-3-5-4-2/h1,4H,5H2",60.11035,48.87492,Singlet_Carbene_Intra_Disproportionation
2671,[C:1](#[C:2][C:3]([C:4]#[C:5][H:9])([H:7])[H:8])[H:6],[C:1](=[C:2]=[C:3]([C:4]#[C:5][H:9])[H:8])([H:6])[H:7],"InChI=1S/C5H4/c1-3-5-4-2/h1-2H,5H2","InChI=1S/C5H4/c1-3-5-4-2/h1,5H,2H2",75.89801,-5.28425,
2672,[C:1](#[C:2][C:3]([C:4]#[C:5][H:9])([H:7])[H:8])[H:6],[C:1]1([H:6])=[C-:2][C:3]([H:7])([H:8])[C+:4]=[C:5]1[H:9],"InChI=1S/C5H4/c1-3-5-4-2/h1-2H,5H2","InChI=1S/C5H4/c1-2-4-5-3-1/h1-2H,5H2",82.63318000000001,61.970569999999995,
2673,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[C:3]1([H:7])=[C:5]([H:10])[C:4]1([H:8])[H:9].[H:6][H:11].[O+:1]#[C-:2],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C3H4.CO.H2/c1-2-3-1;1-2;/h1-2H,3H2;;1H",91.88198,57.089980000000004,
2674,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[O:1]=[C:2]([C:4]([C:3](=[C:5]([H:10])[H:11])[H:7])([H:8])[H:9])[H:6],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O/c1-2-3-4-5/h2,4H,1,3H2",81.49923000000001,-1.33395,
2675,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[O:1]([C:2](=[C:3]1[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6])[H:7],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O/c5-3-4-1-2-4/h3,5H,1-2H2",72.70411999999999,19.35412,ketoenol
2676,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[O+:1](=[C:2]([C:3](=[C:4]([H:8])[H:9])[H:7])[H:6])[C-:5]([H:10])[H:11],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O/c1-3-4-5-2/h3-4H,1-2H2",97.73917,65.47199,
2677,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[O:1]1[C:2]([H:6])=[C:3]([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2",57.896519999999995,-1.6600099999999998,ketoenol
2678,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[O:1]1[C@:2]2([H:6])[C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]2([H:10])[H:11],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4+",77.10023000000001,25.09413,
2679,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[O:1]([C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O/c5-3-4-1-2-4/h4-5H,1-2H2",78.66476,48.90144,
2680,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[O+:1](=[C-:2][H:6])[C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O/c1-5-4-2-3-4/h1,4H,2-3H2",121.09951000000001,69.25405,
2681,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[O:1]=[C:2]=[C:3]([C:5]([C:4]([H:6])([H:8])[H:9])([H:10])[H:11])[H:7],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O/c1-2-3-4-5/h3H,2H2,1H3",66.17948,-6.01963,
2682,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:5]#[N:6])([H:7])([H:8])[H:9].[C:2](=[C:3]=[O:4])([H:10])[H:11],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3",InChI=1S/C2H3N.C2H2O/c2*1-2-3/h1H3;1H2,105.63103999999998,11.813089999999999,
2683,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[N+:6]#[C-:5])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-3-4(6)5-2/h3H2,1H3",40.99954,12.86576,
2684,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C@:3]([C:5]#[N:6])([H:11])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4-/m1/s1",87.35945,20.285829999999997,
2685,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:6]=[C:5]=[C:3]=[O:4])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-2-5-3-4-6/h2H2,1H3",101.36619,49.36619,
2686,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([O:4][H:7])[C:5]#[N:6],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2",89.44584,16.21335,
2687,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m0/s1",81.98476,0.15495,
2688,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:5](#[N:6])[H:7],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3",InChI=1S/C2H4.CHN.CO/c3*1-2/h1-2H2;1H;,71.66909,25.75814,
2689,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-2-4(6)3-5/h2,6H,1H3/b4-2-",72.78578,6.32963,ketoenol
2690,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([O-:4])=[C+:5][N:6]1[H:7],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h5H,1-2H2",86.87921,38.41129,
2691,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C-:3]=[O+:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-2-3-6-4-5/h2H2,1H3",98.94577,75.76134,
2692,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3](=[O:4])/[C:5]1=[N:6]/[H:7],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C4H5NO/c5-3-1-2-4(3)6/h5H,1-2H2/b5-3+",95.44925,17.00755,
2693,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][C:3](=[C:2]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4(3-5)6-2/h1H2,2H3",97.75972,17.998089999999998,ketoenol
2694,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1]([C:2]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C3H5N.CO/c1-2-3-4;1-2/h2H2,1H3;",108.57382,-5.511769999999999,
2695,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[C:3]1([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1([O:6][H:14])[H:13].[O:1]([C:2][H:8])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+","InChI=1S/C3H6O.CH2O/c4-3-1-2-3;1-2/h3-4H,1-2H2;1-2H",102.56465,81.95833,
2696,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[H:12][H:14].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:13])[C:5]1=[O:6])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H6O2.H2/c5-3-1-2-4(3)6;/h3,5H,1-2H2;1H/t3-;/m0./s1",101.35717,14.84939,
2697,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[O:1]([C:2][C:3]([C:4]([C:5]([O:6][H:14])([H:8])[H:13])([H:11])[H:12])([H:9])[H:10])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H8O2/c5-3-1-2-4-6/h5-6H,1-3H2",66.90431,43.37794,
2698,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[C:3](=[C:4]([H:11])[H:12])([H:9])[H:10].[O:1](/[C:2](=[C:5](\[O:6][H:14])[H:13])[H:8])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+",InChI=1S/C2H4O2.C2H4/c3-1-2-4;1-2/h1-4H;1-2H2/b2-1-;,94.94046999999999,19.26711,
2699,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[C:2]1([H:8])=[C:3]([H:9])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13].[O:1]([H:7])[H:10],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H6O.H2O/c5-4-2-1-3-4;/h1-2,4-5H,3H2;1H2/t4-;/m0./s1",68.23732,18.23016,"1,3_Insertion_ROR"
2700,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:12])([H:14])[O:6][C:5]1([H:11])[H:13])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1",92.35294,-7.4288300000000005,
2701,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[H:7][H:10].[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:8],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H6O2.H2/c5-2-3-1-4(3)6;/h2-4,6H,1H2;1H/t3-,4-;/m1./s1",93.92968,20.03872,
2702,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:17])[H:18])([H:15])[H:16],"InChI=1S/C6H12/c1-2-6-4-3-5-6/h6H,2-5H2,1H3","InChI=1S/C4H8.C2H4/c1-3-4-2;1-2/h3H,1,4H2,2H3;1-2H2",100.12127,20.37579,
2703,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([C:5]([C:6][H:18])([H:15])[H:16])([H:13])[H:14])([H:12])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-2-6-4-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-3-5-6-4-2/h1H,3-6H2,2H3",82.90673000000001,79.13432,
2704,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:4]([C:5]([C:6]([H:12])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-2-6-4-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3-5H2,1-2H3",78.28656,64.99168,
2705,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4]([C:5][H:15])([H:13])[H:14])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-2-6-4-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-4-6(3)5-2/h1,6H,4-5H2,2-3H3/t6-/m1/s1",83.19633,78.97298,
2706,[C@:1]12([H:7])[C@:2]3([H:8])[C@@:3]1([H:9])[N:4]1[C@@:5]2([H:10])[C@:6]31[H:11],[C@:1]12([H:7])[C@@:2]([C:3][H:9])([H:8])[C@:6]3([H:11])[N:4]1[C@:5]23[H:10],"InChI=1S/C5H5N/c1-2-3(1)6-4(1)5(2)6/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5N/c1-2-3-5-4(2)6(3)5/h1-5H/t2-,3+,4-,5+,6?",90.32762,57.59839,
2707,[C@:1]12([H:7])[C@:2]3([H:8])[C@@:3]1([H:9])[N:4]1[C@@:5]2([H:10])[C@:6]31[H:11],[C:1]1([C@@:5]2([H:10])[N:4]=[C:6]2[H:11])([H:7])[C:2]([H:8])=[C:3]1[H:9],"InChI=1S/C5H5N/c1-2-3(1)6-4(1)5(2)6/h1-5H/t1-,2+,3-,4+,5-,6?",InChI=1S/C5H5N/c1-2-4(1)5-3-6-5/h1-5H/t5-/m0/s1,75.26872,-11.440439999999999,
2708,[C@:1]12([H:7])[C@:2]3([H:8])[C@@:3]1([H:9])[N:4]1[C@@:5]2([H:10])[C@:6]31[H:11],[C:1]1([H:7])=[C:5]([H:10])[C@:6]2([H:11])[C@:2]3([H:8])[C@@:3]1([H:9])[N:4]32,"InChI=1S/C5H5N/c1-2-3(1)6-4(1)5(2)6/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5N/c1-2-4-5-3(1)6(4)5/h1-5H/t3-,4+,5-,6?",45.938559999999995,-42.92145,
2709,[C@:1]12([H:7])[C@:2]3([H:8])[C@@:3]1([H:9])[N:4]1[C@@:5]2([H:10])[C@:6]31[H:11],[C@:1]12([H:7])[C:2]([H:8])=[C:6]([H:11])[N:4]3[C@@:3]1([H:9])[C@:5]23[H:10],"InChI=1S/C5H5N/c1-2-3(1)6-4(1)5(2)6/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5N/c1-2-6-4-3(1)5(4)6/h1-5H/t3-,4+,5-,6?",55.73463,-28.04784,
2710,[C@:1]12([H:7])[C@:2]3([H:8])[C@@:3]1([H:9])[N:4]1[C@@:5]2([H:10])[C@:6]31[H:11],[C@@:1]12([H:7])[C:2]([H:8])=[C:6]([H:11])[C@:5]1([H:10])[N:4]=[C:3]2[H:9],"InChI=1S/C5H5N/c1-2-3(1)6-4(1)5(2)6/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5N/c1-2-5-4(1)3-6-5/h1-5H/t4-,5-/m0/s1",53.01184,-42.12253,
2711,[C@:1]12([H:7])[C@:2]3([H:8])[C@@:3]1([H:9])[N:4]1[C@@:5]2([H:10])[C@:6]31[H:11],[C@:1]12([H:7])[C:2][C@:6]3([H:11])[N:4]([C:3]1([H:8])[H:9])[C@:5]23[H:10],"InChI=1S/C5H5N/c1-2-3(1)6-4(1)5(2)6/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5N/c1-3-2-6-4(1)5(3)6/h3-5H,2H2/t3-,4-,5+,6?/m0/s1",54.33541999999999,11.593910000000001,
2712,[C@:1]12([H:7])[C@:2]3([H:8])[C@@:3]1([H:9])[N:4]1[C@@:5]2([H:10])[C@:6]31[H:11],[C@:1]12([H:7])[C@:2]3([H:8])[C@@:3]1([H:9])[N:4]([H:11])[C@@:5]2([H:10])[C:6]3,"InChI=1S/C5H5N/c1-2-3(1)6-4(1)5(2)6/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5N/c1-2-4-3(1)6-5(2)4/h2-6H/t2-,3+,4-,5-/m1/s1",51.81227,6.55281,
2713,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:8])[H:9].[O:3]([H:7])[H:11],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O.H2O/c1-2-3-4-5;/h2,4H,1,3H2;1H2",65.6051,14.17885,"1,3_Insertion_ROR"
2714,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4]([O+:6]=[C-:5][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h2,4-5H,3H2,1H3/t4-/m1/s1",117.11493,61.81154,
2715,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([O:3][H:11])[C:4]([C:5](=[O:6])[H:14])([H:12])[H:13],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H4O2.CH4/c4-2-1-3-5;/h2,5H,1H2;1H4",84.36092,61.12549,
2716,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:4]([C:2](=[O:3])[H:10])([H:12])[H:13])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:11])[H:14],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h3H,2H2,1H3;1H2",107.16727,18.472179999999998,
2717,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4](=[C:5]=[O:6])[H:13])[H:10])([H:7])([H:8])[H:9].[H:12][H:14],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2.H2/c1-4(6)2-3-5;/h2,4,6H,1H3;1H/t4-;/m1./s1",80.81565,27.300520000000002,
2718,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:8])[H:9].[H:7][H:11],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2.H2/c5-3-1-2-4-6;/h3-4H,1-2H2;1H",107.13586000000001,20.47721,
2719,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](\[C:5](=[O:6])[H:14])[H:13])[H:10])([H:7])([H:8])[H:9].[O:3]([H:11])[H:12],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O.H2O/c1-2-3-4-5;/h2-4H,1H3;1H2/b3-2-;",56.01198,11.04313,"1,3_Insertion_ROR"
2720,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@@:5]([O:6][H:11])([H:14])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-3-2-4(5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1",48.64665,9.70075,
2721,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:11])[H:14])([H:12])[H:13],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/2C2H4O/c2*1-2-3/h2H,1H3;2-3H,1H2",33.63483,17.83501,Retroene
2722,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:11])=[C:4]([H:12])[H:13])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:14],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O/c1-3(2)4;1-2/h4H,1H2,2H3;1H2",61.773540000000004,23.2857,
2723,[C:1]([O:2][C:3](=[O:4])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[O:4])[N+:6]#[C-:5])([H:7])([H:8])[H:9],InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3,InChI=1S/C3H3NO2/c1-4-3(5)6-2/h2H3,49.516529999999996,19.516820000000003,
2724,[C:1]([O:2][C:3](=[O:4])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[O:2][C:3](=[O:4])/[C:5]1=[N:6]/[H:7],InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3,"InChI=1S/C3H3NO2/c4-2-1-6-3(2)5/h4H,1H2/b4-2+",93.54094,11.555710000000001,
2725,[C:1]([O:2][C:3](=[O:4])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[O:2][C:3]([O-:4])=[C+:5][N:6]1[H:7],InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3,"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h4H,2H2",87.05695,33.38536,
2726,[C:1]([O:2][C:3](=[O:4])[C:5]#[N:6])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1](=[O:2])([H:8])[H:9].[C:5](#[N:6])[H:7],InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3,InChI=1S/CHN.CH2O.CO/c3*1-2/h1H;1H2;,78.49616999999999,24.15654,
2727,[C:1]([O:2][C:3](=[O:4])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][O:4][N+:6]#[C-:5])([H:7])([H:8])[H:9],InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3,InChI=1S/C3H3NO2/c1-4-6-3-5-2/h2H3,135.33785,120.25504,
2728,[O:1]=[C:2]([C:3]#[C:4][C:5]#[C:6][H:8])[H:7],[O:1]=[C:2]=[C:3]=[C:4]([C:5]#[C:6][H:8])[H:7],"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H","InChI=1S/C5H2O/c1-2-3-4-5-6/h1,3H",80.37879000000001,0.58748,
2729,[O:1]=[C:2]([C:3]#[C:4][C:5]#[C:6][H:8])[H:7],[O:1]=[C:2]([C:3](=[C:4])[C:5]#[C:6][H:8])[H:7],"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H","InChI=1S/C5H2O/c1-3-5(2)4-6/h1,4H",52.98056,54.54853000000001,
2730,[O:1]=[C:2]([C:3]#[C:4][C:5]#[C:6][H:8])[H:7],[O:1]=[C:2]([C:6](=[C:5]1[C:3]#[C:4]1)[H:8])[H:7],"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H",InChI=1S/C5H2O/c6-4-3-5-1-2-5/h3-4H,100.74191,61.45001,
2731,[O:1]=[C:2]([C:3]#[C:4][C:5]#[C:6][H:8])[H:7],[O:1]=[C:2]([C:3]12[C:4]3=[C:5]1[C:6]23[H:8])[H:7],"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H",InChI=1S/C5H2O/c6-1-5-2-3(5)4(2)5/h1-2H,84.9326,75.50891999999999,
2732,[O:1]=[C:2]([C:3]#[C:4][C:5]#[C:6][H:8])[H:7],[O:1]1[C@@:2]([C:5]#[C:6][H:8])([H:7])[C:3]1=[C:4],"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H","InChI=1S/C5H2O/c1-3-5-4(2)6-5/h1,5H/t5-/m1/s1",130.75178,90.65185,
2733,[O:1]=[C:2]([C:3]#[C:4][C:5]#[C:6][H:8])[H:7],[O-:1][C:2](=[C+:3][C:4]1=[C:5]=[C:6]1[H:8])[H:7],"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H","InChI=1S/C5H2O/c6-4-3-5-1-2-5/h1,4H",53.81253,55.124469999999995,
2734,[O:1]=[C:2]([C:3]#[C:4][C:5]#[C:6][H:8])[H:7],[O:1]=[C:2]([C:6](=[C+:5][C:4]#[C-:3])[H:8])[H:7],"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H",InChI=1S/C5H2O/c1-2-3-4-5-6/h4-5H,88.27084,45.738859999999995,
2735,[O:1]=[C:2]([C:3]#[C:4][C:5]#[C:6][H:8])[H:7],[O:1]1[C:2]([H:7])=[C:3]=[C:4]=[C:5]=[C:6]1[H:8],"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H",InChI=1S/C5H2O/c1-2-4-6-5-3-1/h4-5H,65.34599,48.557759999999995,
2736,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])=[C:6]2[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:6]2([H:14])[C@:3]3([H:11])[C@@:4]1([H:12])[C@@:5]32[H:13],"InChI=1S/C6H8/c1-2-6-3-5(1)4-6/h1-2,5-6H,3-4H2/t5-,6+","InChI=1S/C6H8/c1-2-4-5-3(1)6(4)5/h3-6H,1-2H2/t3-,4+,5-,6+",79.14428000000001,-3.3370800000000003,
2737,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])=[C:6]2[H:14],[C:1]1([H:7])([H:8])[C:2][C:3]([H:10])([H:11])[C:4]1([C:5](=[C:6]([H:9])[H:14])[H:13])[H:12],"InChI=1S/C6H8/c1-2-6-3-5(1)4-6/h1-2,5-6H,3-4H2/t5-,6+","InChI=1S/C6H8/c1-2-6-4-3-5-6/h2,6H,1,4-5H2",80.47873,63.96694,
2738,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])=[C:6]2[H:14],[C:1]1([H:7])([H:8])[C@:4]2([H:12])[C:3]([H:10])([H:11])[C:2]([H:9])=[C:6]([H:14])[C@:5]12[H:13],"InChI=1S/C6H8/c1-2-6-3-5(1)4-6/h1-2,5-6H,3-4H2/t5-,6+","InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m1/s1",46.41984,-20.21738,
2739,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])=[C:6]2[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5][C:6]2([H:13])[H:14],"InChI=1S/C6H8/c1-2-6-3-5(1)4-6/h1-2,5-6H,3-4H2/t5-,6+","InChI=1S/C6H8/c1-2-6-3-5(1)4-6/h5-6H,1,3-4H2/t5-,6+",62.65368,53.84194,Singlet_Carbene_Intra_Disproportionation
2740,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])=[C:6]2[H:14],[C:1]1([H:7])([H:8])[C@:2]([C:3]([H:10])([H:11])[H:12])([H:9])[C+:6]([H:14])[C:5]([H:13])=[C-:4]1,"InChI=1S/C6H8/c1-2-6-3-5(1)4-6/h1-2,5-6H,3-4H2/t5-,6+","InChI=1S/C6H8/c1-6-4-2-3-5-6/h2,4,6H,5H2,1H3/t6-/m0/s1",73.3421,33.77194,
2741,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C-:1]1([H:7])[N:2]([H:9])[C@:3]1([C:4]1=[O+:6][C:5]1([H:12])[H:13])[H:10].[H:8][H:11],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H5NO.H2/c1-3(5-1)4-2-6-4;/h1,3,5H,2H2;1H/t3-;/m1./s1",136.27338999999998,100.58306,
2742,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]([C:5][H:13])([O:6][H:12])[H:11])[H:10],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h1,3-6H,2H2/t3-,4-/m1/s1",74.24888,70.71502,
2743,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C-:5]=[O+:6]1)[H:10].[H:12][H:13],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H5NO.H2/c1-3(5-1)4-2-6-4;/h3-5H,1H2;1H/t3-,4-;/m1./s1",90.23798000000001,66.26744000000001,
2744,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C-:1]1([H:7])[N+:2]([H:8])([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h1,3-4H,2,5H2/t3-,4-/m1/s1",66.23631999999999,53.508340000000004,
2745,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1](/[N:2]=[C:3](/[C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-5-2-4-3-6-4/h2,4H,3H2,1H3/b5-2+/t4-/m0/s1",64.18083,-9.10015,
2746,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1](=[N:2]/[H:9])(\[C:3]([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:8])[H:10])[H:7],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c5-2-1-4-3-6-4/h2,4-5H,1,3H2/b5-2+/t4-/m0/s1",75.89480999999999,-15.98201,
2747,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]([H:10])=[C:4]1[H:11].[C:5](=[O:6])([H:12])[H:13],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H5N.CH2O/c1-2-4-3-1;1-2/h1-2,4H,3H2;1H2",111.31948999999999,10.79498,
2748,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]([N:2]([C:3]([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])[H:10])[H:9])[H:8],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-5-2-4-3-6-4/h1,4-5H,2-3H2/t4-/m0/s1",73.59940999999999,29.737679999999997,
2749,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C:4](=[O+:6][C-:5]([H:12])[H:13])[H:11])[H:10],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-6-3-4-2-5-4/h3-5H,1-2H2/t4-/m1/s1",65.45437,53.481030000000004,
2750,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]2[C@@:3]1([H:10])[C@:4]2([C:5]([O:6][H:9])([H:12])[H:13])[H:11],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c6-2-4-3-1-5(3)4/h3-4,6H,1-2H2/t3-,4-,5?/m1/s1",65.22126,4.418830000000001,
2751,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C:4]([O+:6]=[C-:5][H:12])([H:11])[H:13])[H:10],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-6-3-4-2-5-4/h1,4-5H,2-3H2/t4-/m1/s1",77.95040999999999,49.130829999999996,
2752,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([O:6][C:5]([C:4][H:11])([H:12])[H:13])[H:10],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-2-6-4-3-5-4/h1,4-5H,2-3H2/t4-/m0/s1",109.56148999999999,80.60858,
2753,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N+:2]([H:9])([H:10])[C-:3]1[C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1,"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h4H,1-2,5H2/t4-/m1/s1",62.96836,47.0786,
2754,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C-:4]=[O+:6][C:5]([H:11])([H:12])[H:13])[H:10],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-6-3-4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1",73.35669,35.98735,
2755,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[O:6][C:5]([H:12])([H:13])[C:4]([H:11])=[C:3]1[H:10],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-2-4-6-5-3-1/h1-2,5H,3-4H2",108.62373000000001,62.21935,
2756,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]([N:2]([H:9])[H:11])(/[C:3](=[C:4]1\[C:5]([H:12])([H:13])[O:6]1)[H:10])([H:7])[H:8],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c5-2-1-4-3-6-4/h1H,2-3,5H2/b4-1+",69.63925,-3.26519,
2757,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]([N:2](/[C:3](=[C:4]1/[C:5]([H:12])([H:13])[O:6]1)[H:10])[H:9])([H:7])([H:8])[H:11],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-5-2-4-3-6-4/h2,5H,3H2,1H3/b4-2-",107.46234,2.65666,
2758,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C-:1]([N:2]([C+:3]([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10])[H:9])([H:7])[H:8],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-5-2-4-3-6-4/h2,4-5H,1,3H2/t4-/m0/s1",50.01978,24.95195,
2759,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C:4][C:5]([O:6][H:11])([H:12])[H:13])[H:10],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h4-6H,2-3H2/t4-/m0/s1",72.14023,54.06351,
2760,[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]([O:3][H:6])[C:4](=[O:5])[H:9])([H:7])[H:8],"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3","InChI=1S/C3H4O2/c1-3(5)2-4/h2,5H,1H2",68.47534,8.393939999999999,ketoenol
2761,[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C-:4]#[O+:5].[C:1]([C:2][O:3][H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3","InChI=1S/C2H4O.CO/c1-2-3;1-2/h3H,1H3;",60.238640000000004,49.8691,
2762,[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[O+:5]=[C-:4][H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3","InChI=1S/C3H4O2/c1-3(4)5-2/h2H,1H3",65.79139,52.88004,
2763,[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]=[O:3])([H:7])[H:8].[C:4](=[O:5])([H:6])[H:9],"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3",InChI=1S/C2H2O.CH2O/c1-2-3;1-2/h1H2;1H2,82.35973,25.42865,
2764,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C@@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C:5]1)([H:7])([H:8])[H:9].[O:6]([H:15])[H:16],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H8.H2O/c1-4-3-5(4)2;/h4-5H,1-2H3;1H2/t4-,5+;",82.35275,81.69574,
2765,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:5]([C:3](=[C:4]([H:12])[H:14])[H:11])([O:6][H:16])[H:15])[H:10])([H:7])[H:8].[H:9][H:13],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H8O.H2/c1-3-5(6)4-2;/h3-6H,1-2H2;1H",67.63804,26.576390000000004,
2766,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4]([H:12])([H:13])[H:14])([H:11])[H:15])([C:5][O:6][H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H10O/c1-3-5(2)4-6/h5-6H,3H2,1-2H3/t5-/m0/s1",55.33704,35.01364,
2767,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([O:6][H:16])[H:11])([C:5][H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H10O/c1-4(2)5(3)6/h1,4-6H,2-3H3/t4-,5+/m0/s1",98.90275,75.66849,
2768,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C:5]1=[O:6])([H:7])([H:8])[H:9].[H:15][H:16],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H8O.H2/c1-3-4(2)5(3)6;/h3-4H,1-2H3;1H/t3-,4+;",88.52948,27.59627,
2769,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C@:2]2([H:10])[C@@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]12[H:15].[O:6]([H:9])[H:16],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H8.H2O/c1-3-4-2-5(3)4;/h3-5H,2H2,1H3;1H2/t3-,4+,5-;",104.73092,28.13924,
2770,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([O:6][H:16])([H:7])([H:8])[H:9].[C:2]1([H:10])=[C:5]([H:15])[C:3]1([C:4]([H:12])([H:13])[H:14])[H:11],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C4H6.CH4O/c1-4-2-3-4;1-2/h2-4H,1H3;2H,1H3",119.76926999999999,49.5485,
2771,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[C:4]([H:12])[H:14])[H:11])([C:5](=[O:6])[H:15])[H:10])([H:7])([H:8])[H:9].[H:13][H:16],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H8O.H2/c1-3-5(2)4-6;/h3-5H,1H2,2H3;1H/t5-;/m0./s1",56.43874,13.467870000000001,
2772,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([O:6][H:16])([H:10])[H:15])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H10O/c1-3-5(2)4-6/h5-6H,4H2,1-2H3/t5-/m1/s1",71.02369,67.52736999999999,
2773,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:5]([C:3][C:4]([H:12])([H:13])[H:14])([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H10O/c1-3-5(6)4-2/h5-6H,3H2,1-2H3/t5-/m0/s1",67.30411,61.79626,
2774,[o:1]1[c:2]([H:6])[n:3][n:4][c:5]1[H:7],[O:1]=[C:2]([N:3]1[N:4]=[C:5]1[H:7])[H:6],InChI=1S/C2H2N2O/c1-3-4-2-5-1/h1-2H,InChI=1S/C2H2N2O/c5-2-4-1-3-4/h1-2H,79.79692,56.248219999999996,ketoenol
2775,[o:1]1[c:2]([H:6])[n:3][n:4][c:5]1[H:7],[N:3]#[N:4].[O+:1](=[C-:2][H:6])[C:5][H:7],InChI=1S/C2H2N2O/c1-3-4-2-5-1/h1-2H,InChI=1S/C2H2O.N2/c1-3-2;1-2/h1-2H;,117.86113,108.36474,
2776,[o:1]1[c:2]([H:6])[n:3][n:4][c:5]1[H:7],[O:1]=[C:2]([N-:3][N+:4]#[C:5][H:7])[H:6],InChI=1S/C2H2N2O/c1-3-4-2-5-1/h1-2H,InChI=1S/C2H2N2O/c1-3-4-2-5/h1-2H,45.82097,38.13238,
2777,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1](=[C:2]=[C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7])[H:8],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,"InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2,5H,3-4H2",92.39227,24.59366,
2778,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]#[C:2][C:3]([N+:4]1([H:9])[C-:5]([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,"InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h3,6H,2,4H2",68.76104000000001,55.68056,
2779,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N+:1](#[C-:2])[C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,InChI=1S/C4H6N2/c1-5-4-6-2-3-6/h2-4H2,57.55281,20.9572,
2780,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:7])([H:8])[N:4]2[C@@:5]1([H:9])[C:6]2([H:11])[H:12])\[H:10],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,"InChI=1S/C4H6N2/c5-3-1-6-2-4(3)6/h4-5H,1-2H2/b5-3-/t4-,6?/m0/s1",99.0792,17.33361,
2781,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]#[C:2][C:3]([N+:4]([C-:5]([H:9])[H:10])=[C:6]([H:11])[H:12])([H:7])[H:8],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,"InChI=1S/C4H6N2/c1-6(2)4-3-5/h1-2,4H2",50.32009,27.79334,
2782,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1](=[C:2]=[C:3]([H:7])[H:8])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,"InChI=1S/C4H6N2/c1-2-5-6-3-4-6/h1,3-4H2",96.33286,42.3166,
2783,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1](=[C:2]=[C:3]([H:7])[H:8])[H:11].[N:4]1=[C:6]([H:12])[C:5]1([H:9])[H:10],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,"InChI=1S/2C2H3N/c1-2-3-1;1-2-3/h1H,2H2;3H,1H2",69.14166999999999,42.280570000000004,Retroene
2784,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]1([H:10])[C:2][C:3]([H:7])([H:8])[N:4]2[C@@:5]1([H:9])[C:6]2([H:11])[H:12],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,"InChI=1S/C4H6N2/c1-2-6-3-4(6)5-1/h4-5H,2-3H2/t4-,6?/m0/s1",87.07436,36.89945,
2785,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N+:1](=[C-:2][C:3]([N:4]=[C:5]([H:9])[H:10])([H:7])[H:8])=[C:6]([H:11])[H:12],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,InChI=1S/C4H6N2/c1-5-3-4-6-2/h1-3H2,66.80526,34.23581,
2786,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[H:8][H:9].[N:1]#[C:2][C-:3]([N+:4]1=[C:5]([H:10])[C:6]1([H:11])[H:12])[H:7],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,"InChI=1S/C4H4N2.H2/c5-1-2-6-3-4-6;/h2-3H,4H2;1H",81.6772,63.647819999999996,
2787,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[O:6]1,[O-:1][c:2]1[c:3]([H:7])[n:4]([H:8])[c:5]([H:9])[o+:6]1,"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h2H,1H2","InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h1-2,4H",60.8367,19.82157,
2788,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[O:6]1,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[o:6]1)[H:7],"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h2H,1H2","InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h1-2,5H",77.12731,11.99191,ketoenol
2789,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[O:6]1,[O:1]=[C:2](/[C:3](=[N:4]\[C:5](=[O:6])[H:9])[H:7])[H:8],"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h2H,1H2",InChI=1S/C3H3NO2/c5-2-1-4-3-6/h1-3H/b4-1-,58.49179,27.517609999999998,
2790,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[O:6]1,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]([H:9])[C-:5]=[O+:6]1,"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h2H,1H2","InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h4H,1H2",71.58462,28.38723,
2791,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[O:6]1,[O:1]=[C:2]=[C:3](/[N:4]=[C:5](\[O:6][H:7])[H:9])[H:8],"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h2H,1H2","InChI=1S/C3H3NO2/c5-2-1-4-3-6/h1,3H,(H,4,6)",56.64909,31.21551,
2792,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[O:6]1,[C:3]1([H:7])([H:8])[N:4]=[C:5]1[H:9].[O:1]=[C:2]=[O:6],"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h2H,1H2","InChI=1S/C2H3N.CO2/c1-2-3-1;2-1-3/h1H,2H2;",85.3341,27.227240000000002,
2793,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[O:6]1,[C:3](=[N:4][C:5](=[O:6])[H:9])([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h2H,1H2","InChI=1S/C2H3NO.CO/c1-3-2-4;1-2/h2H,1H2;",34.14687,23.915129999999998,
2794,[O:1]1[C@@:2]2([H:7])[C@:3]1([H:8])[C@@:4]1([H:9])[O:5][C@@:6]21[H:10],[O+:1](=[C-:2][H:7])[C@@:3]1([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],"InChI=1S/C4H4O2/c5-1-2(5)4-3(1)6-4/h1-4H/t1-,2+,3-,4+","InChI=1S/C4H4O2/c1-5-2-3-4(2)6-3/h1-4H/t2-,3+,4-",82.29198000000001,52.52835,
2795,[O:1]1[C@@:2]2([H:7])[C@:3]1([H:8])[C@@:4]1([H:9])[O:5][C@@:6]21[H:10],[O+:1]1=[C-:2][C@@:6]2([H:10])[C@@:4]([H:9])([C:3]1([H:7])[H:8])[O:5]2,"InChI=1S/C4H4O2/c5-1-2(5)4-3(1)6-4/h1-4H/t1-,2+,3-,4+","InChI=1S/C4H4O2/c1-3-4(6-3)2-5-1/h3-4H,1H2/t3-,4+/m1/s1",55.33473000000001,-6.1984,
2796,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:6])([H:7])[H:8],[C:1]([C:4]([C:5]([C:2][C:3]([H:9])([H:10])[H:11])([H:14])[H:15])([H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C5H10/c1-5(2)3-4-5/h3-4H2,1-2H3","InChI=1S/C5H10/c1-3-5-4-2/h3,5H2,1-2H3",103.60844,68.3159,
2797,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:9].[C:2]1(=[C:3]([H:10])[H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15],"InChI=1S/C5H10/c1-5(2)3-4-5/h3-4H2,1-2H3",InChI=1S/C4H6.CH4/c1-4-2-3-4;/h1-3H2;1H4,121.19853,29.47369,
2798,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([O-:3])=[C+:4][C:5]([O:6][H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(6)2-3-5/h5H,3H2,1H3",69.56973,60.581419999999994,
2799,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:4]([H:10])[O:6][C:5]([H:11])([H:12])[O:3]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4-2-5-3-6-4/h2H,3H2,1H3",54.05065,-1.14802,ketoenol
2800,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([O+:6]=[C-:5][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(5)3-6-2/h2H,3H2,1H3",78.40141,49.45228,
2801,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:10])=[C:4]1/[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h5H,2H2,1H3/b4-3+",67.9849,21.47185,ketoenol
2802,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:9])([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])[H:8],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1",97.93823,7.28145,
2803,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]12[O:3][C@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]2)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4-3(6-4)2-5-4/h3H,2H2,1H3/t3-,4-/m1/s1",72.6883,22.19294,
2804,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C@@:2]([C@@:4]2([H:10])[C:5]([H:11])([H:12])[O:6]2)([H:9])[O:3]1,"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1",99.65205,30.71898,
2805,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:4](=[O:6])[H:10])[O:3][C:5]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m0/s1",55.297709999999995,2.06705,
2806,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])[H:8],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4-5H,1-2H2/t4-/m1/s1",66.70711,11.43153,ketoenol
2807,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([O-:3])=[C:4]([O+:6]=[C:5]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(5)3-6-2/h3H,2H2,1H3",57.8839,45.660920000000004,
2808,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O+:3][O-:6])[C:4](=[C:5]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-3-4(2)6-5/h3H,1H2,2H3",125.64531000000001,76.17727,
2809,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C@@:4]([C:5][H:11])([O:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-3(5)4(2)6/h1,3,5H,2H3/t3-/m1/s1",74.00363,70.20312,
2810,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]([O:3][H:12])[C@@:4]1([H:10])[C:5]([H:11])=[O+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h2,4-5H,1H3/t4-/m1/s1",104.36328,72.83352,
2811,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([O-:3])=[C:4]=[O+:6][C:5]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1",InChI=1S/C4H6O2/c1-4(5)3-6-2/h1-2H3,75.65606,43.5209,
2812,[C:1]([C:2]([C:3]#[C:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]=[C:5]([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3","InChI=1S/C6H10/c1-4-6(3)5-2/h1,5H2,2-3H3",94.89272,0.68982,
2813,[C:1]([C:2]([C:3]#[C:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:4](=[C:3])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3","InChI=1S/C6H10/c1-4-6(3)5-2/h4-5H2,1-2H3",57.18883,53.68795,
2814,[C:1]([C:2]([C:3]#[C:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3","InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H,4H2,1-2H3/b5-3-",78.30232,56.30846999999999,
2815,[C:1]([C:2]([C:3]#[C:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3","InChI=1S/C6H10/c1-3-5-6-4-2/h3,6H,4H2,1-2H3",82.76037,1.13294,
2816,[C:1]([C:2]([C:3]#[C:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[C:3]1=[C:4]([C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])[H:8],"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3","InChI=1S/C6H10/c1-2-3-6-4-5-6/h3H,2,4-5H2,1H3",100.55467,7.0148,
2817,[C:1]([C:2]([C:3]#[C:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C+:2](=[C:3]=[C-:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3","InChI=1S/C5H6.CH4/c1-3-5-4-2;/h1H,4H2,2H3;1H4",88.37376,83.3568,
2818,[C:1]([C:2]([C:3]#[C:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C:3]([H:10])=[C:4]1[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3","InChI=1S/C6H10/c1-3-6-4-5(6)2/h4-5H,3H2,1-2H3/t5-/m1/s1",56.1534,18.93988,
2819,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([O:6][C:5](=[C:2]1[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-6-4-5-2-3-5/h4H,2-3H2,1H3",107.46586,32.877159999999996,ketoenol
2820,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])[H:9].[C:5](=[O:6])([H:8])[H:14],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3",InChI=1S/C4H6.CH2O/c1-4-2-3-4;1-2/h1-3H2;1H2,89.88346999999999,43.67709,
2821,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C-:1]([O+:6]=[C:5]([C:2]1([H:7])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])[H:14])([H:8])[H:9],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-6-4-5-2-3-5/h4-5H,1-3H2",108.96766000000001,75.91518,
2822,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1([O+:6]=[C-:5][H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-5(6-2)3-4-5/h2H,3-4H2,1H3",122.40682,67.58856999999999,
2823,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([H:14])[O:6][C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h4H,2-3H2,1H3",59.13693000000001,-1.59048,ketoenol
2824,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1",70.61742,22.04954,
2825,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:14])[C:4]([H:12])([H:13])[C:3]([H:10])([H:11])[C:5]1=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m1/s1",67.98749000000001,-5.17586,
2826,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:5]#[O+:6])[C:3]([H:10])([H:11])[C-:4]1[H:13])([H:7])([H:8])[H:9].[H:12][H:14],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C5H6O.H2/c1-5(4-6)2-3-5;/h2H,3H2,1H3;1H/t5-;/m0./s1",123.56153,86.45488,
2827,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:5][O:6][H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-5(4-6)2-3-5/h6H,2-3H2,1H3",79.06953,50.297,
2828,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:5](=[O:6])[H:14])([H:10])[H:11])=[C:4]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-5(2)3-4-6/h4H,1,3H2,2H3",78.22273,-1.9817200000000001,
2829,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2]1([C:5](=[O:6])[H:14])=[C:4]([H:13])[C:3]1([H:10])[H:11],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C4H4O.CH4/c5-3-4-1-2-4;/h1,3H,2H2;1H4",120.42412,49.10718,
2830,[C:1]([C:2]([C:3]#[C:4][C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3][C@:4]1([C:5]([H:11])([H:12])[H:13])[H:6],"InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3","InChI=1S/C5H8/c1-5-3-2-4-5/h5H,2-3H2,1H3/t5-/m0/s1",97.53726999999999,63.413169999999994,
2831,[C:1]([C:2]([C:3]#[C:4][C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:4](=[C:3]=[C:2]([H:9])[H:10])[C:5]([H:11])([H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3","InChI=1S/C5H8/c1-4-5(2)3/h1H2,2-3H3",95.77353000000001,0.61827,
2832,[C:1]([C:2]([C:3]#[C:4][C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1=[C:4]([C:5]([H:11])([H:12])[H:13])[H:6],"InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3","InChI=1S/C5H8/c1-2-5-3-4-5/h2H,3-4H2,1H3",101.02818,7.33387,
2833,[C:1]([C:2]([C:3]#[C:4][C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]=[C:4]([C:5]([H:11])([H:12])[H:13])[H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3","InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2H3",83.96378,1.6308200000000002,
2834,[C:1]([C:2]([C:3]#[C:4][C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:4](=[C:3])[C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3","InChI=1S/C5H8/c1-4-5(2)3/h4H2,1-2H3",57.74749,52.80243000000001,
2835,[C:1]([C:2]([C:3]#[C:4][C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3](=[C:4]=[C:5]([H:12])[H:13])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3","InChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3",84.40635999999999,3.2650900000000003,
2836,[C:1]([C:2]([C:3]#[C:4][C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1=[C:4]=[C:5]([H:12])[H:13].[H:6][H:11],"InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3","InChI=1S/C5H6.H2/c1-2-5-3-4-5;/h1,3-4H2;1H",101.37678000000001,47.60964,
2837,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[c:6]1[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[N-:3][O:4][C:5]([H:8])([H:10])[C+:6]1[H:11])([H:7])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2H,1,3H2",146.73668999999998,98.04916999999999,
2838,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:3][C@:6]1([C:5](=[O:4])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-3-4(2-6)5-3/h2,4H,1H3/t4-/m0/s1",63.08341,14.36261,ketoenol
2839,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[N+:3][O-:4])([H:7])([H:8])[H:9].[C:5](#[C:6][H:11])[H:10],"InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3",InChI=1S/C2H3NO.C2H2/c1-2-3-4;1-2/h1H3;1-2H,95.93404,75.244,
2840,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]=[C:5]([H:10])[O:4][N:3]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h3,5H,1H3",104.98041,60.364290000000004,
2841,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([N:3]=[C:2]=[C:6]([C:5](=[O:4])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-5-3-2-4-6/h2,4H,1H3",58.45645,4.13415,
2842,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]=[O:4])=[C:6]=[C:5]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-3-4(2)5-6/h1H2,2H3",75.90247,57.220690000000005,
2843,[C:1]([N:2]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C+:1]([N:2]([C:3](=[C:4]=[N-:5])[H:11])[H:9])([H:6])[H:7].[H:8][H:10],"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3","InChI=1S/C3H4N2.H2/c1-5-3-2-4;/h3,5H,1H2;1H",66.9256,50.7161,
2844,[C:1]([N:2]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([N:2]([C:3]([N+:5]#[C-:4])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3","InChI=1S/C3H6N2/c1-4-3-5-2/h4H,3H2,1H3",46.723079999999996,19.38566,
2845,[C:1]([N:2]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([N:2]=[C:3]([H:10])[H:11])([H:6])([H:7])[H:8].[C:4]=[N:5][H:9],"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3","InChI=1S/C2H5N.CHN/c1-3-2;1-2/h1H2,2H3;2H",53.73234,37.36265,
2846,[C:1]([N:2]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([N:2]([C:4]1=[N:5][C:3]1([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3","InChI=1S/C3H6N2/c1-4-3-2-5-3/h2H2,1H3,(H,4,5)",99.59586,27.21319,
2847,[C:1]([N:2]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([N:2]([N:5]=[C:4]=[C:3]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3","InChI=1S/C3H6N2/c1-3-5-4-2/h4H,1H2,2H3",101.60857,41.043890000000005,
2848,[C:1]([N:2]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C-:1]([N+:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([H:8])[H:9])([H:6])[H:7],"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3","InChI=1S/C3H6N2/c1-5-3-2-4/h1,3,5H2",83.29717,69.92412,
2849,[C:1]([N:2]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([N+:2]([C-:3]([C:4]#[N:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3","InChI=1S/C3H6N2/c1-5-3-2-4/h3H,5H2,1H3",67.31796999999999,44.6507,
2850,[C:1]([N:2]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]([H:10])([H:11])[C:4][N:5]1[H:6],"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3","InChI=1S/C3H6N2/c1-2-5-3-4-1/h4-5H,1,3H2",79.86627,38.662620000000004,
2851,[C:1]([N:2]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1](=[N:2][H:9])([H:7])[H:8].[C:3](=[C:4]=[N:5][H:6])([H:10])[H:11],"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3","InChI=1S/C2H3N.CH3N/c1-2-3;1-2/h3H,1H2;2H,1H2",66.53822,33.7983,Retroene
2852,[O:1]([C@@:2]1([H:8])[C@:3]([O:4][H:10])([H:9])[C@:5]1([O:6][H:12])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[O:4][C@@:5]12[H:11])[H:7].[O:6]([H:10])[H:12],"InChI=1S/C3H6O3/c4-1-2(5)3(1)6/h1-6H/t1-,2+,3-","InChI=1S/C3H4O2.H2O/c4-1-2-3(1)5-2;/h1-4H;1H2/t1-,2+,3-;",82.01682,44.59729,
2853,[O:1]([C@@:2]1([H:8])[C@:3]([O:4][H:10])([H:9])[C@:5]1([O:6][H:12])[H:11])[H:7],[O:1]([C:2][C@@:3]([O:4][H:10])([C:5]([O:6][H:12])([H:8])[H:11])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-2(5)3(1)6/h1-6H/t1-,2+,3-","InChI=1S/C3H6O3/c4-1-3(6)2-5/h3-6H,1H2/t3-/m0/s1",58.268609999999995,30.117259999999998,
2854,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[C:5]([O:4][H:13])=[N:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-2-3-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1",89.60853,29.889770000000002,
2855,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:13],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO.H2/c1-2-4(6)3-5;/h2H2,1H3;1H",90.06390999999999,19.863,
2856,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C+:3]=[C:5]=[N-:6])([H:10])[H:11])([H:7])([H:8])[H:9].[O:4]([H:12])[H:13],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H5N.H2O/c1-2-3-4-5;/h2H2,1H3;1H2",76.3949,79.76434,
2857,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]([C:3](=[O:4])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO.H2/c1-4(2-5)3-6;/h3-4H,1H3;1H/t4-;/m0./s1",103.91027,19.6459,
2858,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3]([O:4][H:13])(=[C:5]=[N:6][H:7])[H:12],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1",InChI=1S/C2H3NO.C2H4/c3-1-2-4;1-2/h2-4H;1-2H2,70.69183000000001,53.95275,Retroene
2859,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]=[N:6][H:13],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CHN/c1-2-3-4;1-2/h3H,2H2,1H3;2H",57.587740000000004,30.54433,
2860,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C@:3]([O:4][H:13])([H:12])[C:5][N:6]1[H:7],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c6-4-1-2-5-3-4/h4-6H,1-2H2/t4-/m1/s1",94.07547,39.65189,
2861,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:4][H:13])=[C:5]=[N:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-2-4(6)3-5/h5-6H,2H2,1H3",87.05617,26.125410000000002,
2862,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([O:4][H:13])([N+:6]#[C-:5])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-3-4(6)5-2/h4,6H,3H2,1H3/t4-/m1/s1",52.68391999999999,17.60441,
2863,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:5]#[N:6])([H:7])([H:8])[H:9].[O:4]([H:10])[H:13],"InChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H5N.H2O/c1-4(2)3-5;/h1H2,2H3;1H2",61.923230000000004,8.55986,"1,3_Insertion_ROR"
2864,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[O:4]([N+:6]#[C-:5])[H:13],"InChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H6.CHNO/c1-3-2;1-2-3/h3H,1H2,2H3;3H",114.70598000000001,88.38601,
2865,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:5]#[N:6])[H:10])([H:7])[H:8].[C:3](=[O:4])([H:11])[H:12].[H:9][H:13],"InChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H3N.CH2O.H2/c1-2-3-4;1-2;/h2H,1H2;1H2;1H",84.93604,47.88585,
2866,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([C:5]#[N:6])([H:10])[C:3]1([H:11])[H:12].[O:4]([H:9])[H:13],"InChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H5N.H2O/c5-3-4-1-2-4;/h4H,1-2H2;1H2",99.88996,15.567789999999999,
2867,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9].[C:3]([O:4][H:13])[H:12],"InChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H5N.CH2O/c1-2-3-4;1-2/h2H2,1H3;1-2H",81.29424,68.35844,
2868,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([N+:6]#[C-:5])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-4(3-6)5-2/h4,6H,3H2,1H3/t4-/m0/s1",60.08096,21.31837,
2869,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:13])[H:12])[H:10])([H:7])([H:8])[H:9].[C:5]=[N:6][H:11],"InChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CHN/c1-2-3-4;1-2/h2-4H,1H3;2H/b3-2-;",98.75010999999999,39.82692,
2870,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[N:6][C:3]([O:4][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2,6H,4H2,1H3",82.24783000000001,27.042890000000003,
2871,[N:1]([c:2]1[c:3]([H:9])[o:4][n:5][n:6]1)([H:7])[H:8],[N:1]([C:2]#[C:3][H:9])([H:7])[H:8].[O:4]=[N+:5]=[N-:6],"InChI=1S/C2H3N3O/c3-2-1-6-5-4-2/h1H,3H2","InChI=1S/C2H3N.N2O/c2*1-2-3/h1H,3H2;",72.09942,33.97322,
2872,[N:1]([c:2]1[c:3]([H:9])[o:4][n:5][n:6]1)([H:7])[H:8],[N-:1]([c:2]1[c:3]([H:9])[o+:4][n:5][n:6]1[H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-1-6-5-4-2/h1H,3H2","InChI=1S/C2H3N3O/c3-2-1-6-5-4-2/h1,3-4H",68.99085,35.23295,
2873,[N:1]([c:2]1[c:3]([H:9])[o:4][n:5][n:6]1)([H:7])[H:8],[C:3](=[O+:4][N-:5])[H:9].[N:1]([C:2]#[N:6])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-1-6-5-4-2/h1H,3H2",InChI=1S/CH2N2.CHNO/c2-1-3;1-3-2/h2H2;1H,141.51102,137.24985,
2874,[C:1]([C:2](=[O:3])[C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]([O:3][H:6])[C:4]#[C:5][H:9])([H:7])[H:8],"InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3","InChI=1S/C4H4O/c1-3-4(2)5/h1,5H,2H2",66.05667,10.11697,ketoenol
2875,[C:1]([C:2](=[O:3])[C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1]([C-:2]=[O+:3][C:4]#[C:5][H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3","InChI=1S/C4H4O/c1-3-5-4-2/h1H,2H3",103.86346999999999,76.21749,
2876,[C:1]([C:2](=[O:3])[C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1]1([H:7])([H:8])[C:2](=[C:4]=[C:5]([H:6])[H:9])[O:3]1,"InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3","InChI=1S/C4H4O/c1-2-4-3-5-4/h1,3H2",98.29442,33.959179999999996,
2877,[C:1]([C:2](=[O:3])[C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1]([C:5](=[C:4]=[C:2]=[O:3])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3","InChI=1S/C4H4O/c1-2-3-4-5/h2H,1H3",94.35710999999999,1.17414,
2878,[C:1]([C:2](=[O:3])[C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1]([C@:2]12[O:3][C@@:5]1([H:9])[C:4]2)([H:6])([H:7])[H:8],"InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3","InChI=1S/C4H4O/c1-4-2-3(4)5-4/h3H,1H3/t3-,4+/m0/s1",70.91736,74.08099,
2879,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:11])([H:7])([H:8])[H:9].[C:4](=[O:5])=[C:6]([H:10])[H:12],InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3,"InChI=1S/C2H4O.C2H2O/c2*1-2-3/h2H,1H3;1H2",82.25849000000001,25.08701,
2880,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[O+:5]=[C-:4][C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3,InChI=1S/C4H6O2/c1-3-6-4(2)5/h1-2H3,62.76825,50.86555,
2881,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])=[C:6]([H:10])[H:12])([H:7])([H:8])[H:9],InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3,"InChI=1S/C4H6O2/c1-3(5)4(2)6/h5H,1H2,2H3",68.12966999999999,9.2589,ketoenol
2882,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C+:2]([O:3][H:11])[C:4]([O-:5])=[C:6]([H:10])[H:12])([H:7])([H:8])[H:9],InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3,"InChI=1S/C4H6O2/c1-3(5)4(2)6/h6H,1H2,2H3",53.115080000000006,51.40886,
2883,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4][C:5]([H:14])([H:15])[C:6]1([H:13])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h6H,2,4-5H2,1H3/t6-/m1/s1",61.218669999999996,39.93513,
2884,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]([C:5][H:15])([H:13])[C:6]1([H:14])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-5-3-6(2)4-5/h1,5-6H,3-4H2,2H3/t5-,6+",65.25943000000001,65.09775,
2885,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:6]([C:5]([C:4](=[C:3]([H:11])[H:12])[H:13])([H:14])[H:15])([H:9])[H:16])[H:10])([H:7])[H:8],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2",91.71068000000001,-8.56836,
2886,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:11])[H:13])[H:12])([C:6](=[C:5]([H:14])[H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-4-6(3)5-2/h4-6H,1-2H2,3H3",109.31307,-8.96245,
2887,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:6]1([C:5]([C:4][H:13])([H:14])[H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-3-6-4-5(6)2/h1,5-6H,3-4H2,2H3/t5-,6+/m0/s1",75.955,75.51178,
2888,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:16])[C:5]([H:14])([H:15])[C:6]1)([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h6H,2-4H2,1H3/t6-/m0/s1",62.17161,39.03308,
2889,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:15])[C@:6]1([C:5][H:14])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-5-3-4-6(5)2/h1,5-6H,3-4H2,2H3/t5-,6+/m1/s1",66.25836,66.17323,
2890,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1([H:10])[H:16])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-2-3-6-4-5-6/h6H,3-5H2,1H3",83.29903,62.53986999999999,
2891,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:6]1([H:16])[C:4][C:5]1([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-5(2)6-3-4-6/h5-6H,3H2,1-2H3/t6-/m1/s1",78.14525,65.75804000000001,
2892,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1",65.50686,-27.03095,
2893,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:6]1([H:16])[C@:4]([C:3][H:11])([H:13])[C:5]1([H:14])[H:15])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-3-6-4-5(6)2/h2,5-6H,3-4H2,1H3/t5-,6+/m0/s1",81.29374,63.49898,
2894,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:5]([H:14])[H:15])[H:13])([H:11])[H:12])=[C:6]([H:10])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H3",104.8225,-12.19482,
2895,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1)([H:11])[H:12])([H:10])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-2-3-6-4-5-6/h6H,2-4H2,1H3/t6-/m0/s1",78.45022,68.76429,
2896,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:6](/[C:5]([C:4](=[C:3]([H:11])[H:12])[H:13])([H:14])[H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+",62.147369999999995,-10.89557,
2897,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:6]1([H:16])[C@:4]([C:3]([H:10])([H:11])[H:12])([H:13])[C:5]1([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-3-6-4-5(6)2/h5-6H,4H2,1-2H3/t5-,6+/m0/s1",77.99835999999999,61.02828,
2898,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C:6]1)([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-5-3-6(2)4-5/h5-6H,3H2,1-2H3/t5-,6+",66.72870999999999,54.78702,
2899,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4][C@:6]1([C:5]([H:13])([H:14])[H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-5-3-4-6(5)2/h5-6H,3H2,1-2H3/t5-,6+/m0/s1",66.82583000000001,63.23582,
2900,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:3]([H:10])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:8])[H:9].[H:7][H:11],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H5NO.H2/c1-5-3-2-4(5)6;/h3H,1-2H2;1H",85.04505999999999,73.5319,
2901,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]([H:10])[H:11])([H:7])([H:8])[H:9].[C:4](=[C:5]=[O:6])([H:12])[H:13],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C2H5N.C2H2O/c1-3-2;1-2-3/h1H2,2H3;1H2",59.394740000000006,33.51318,
2902,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1](=[N+:2]([C:3]([H:7])([H:10])[H:11])[C:5](=[C:4]([H:12])[H:13])[O-:6])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(6)5(2)3/h1-2H2,3H3",120.76498000000001,40.14993,
2903,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C-:1]([N+:2]1([H:7])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h5H,1-3H2",94.22357,79.74355,
2904,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](/[N:2]=[C:3](/[C:4]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C3H7N.CO/c1-3-4-2;1-2/h3H,1-2H3;/b4-3+;",96.98951,9.286769999999999,
2905,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([O:6][C:5]1=[N:2][C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-6-4-2-3-5-4/h2-3H2,1H3",85.96791999999999,23.33105,ketoenol
2906,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:5](=[C+:4][H:13])[O-:6])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(6)5(2)3/h1H,2-3H3",81.61125,75.0506,
2907,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1](=[N:2][C:3]([C:4]([C:5](=[O:6])[H:7])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-3-2-4-6/h4H,1-3H2",81.73651,17.87131,
2908,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:13])=[C:5]1[O:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2,6H,3H2,1H3",86.4215,34.50439,ketoenol
2909,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N+:2]([C-:3]([H:10])[H:11])=[C:5]1[C:4]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5(2)4-3-6-4/h1,3H2,2H3",108.76246,91.78446,
2910,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N+:2]1=[C:5]([O:6][H:11])[C:4]([H:12])([H:13])[C-:3]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h3,6H,2H2,1H3",111.90615,73.85221,
2911,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:5]=[O:6])([H:7])([H:8])[H:9].[C:3](=[C:4]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3",InChI=1S/C2H3NO.C2H4/c1-3-2-4;1-2/h1H3;1-2H2,60.466640000000005,12.63156,
2912,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[N+:3]=[C-:4][H:10])[O:6][C:5]([H:11])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(5-2)6-3/h2H,1,3H3",81.42607,58.6106,
2913,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]=[N:3][C:4]([C:5](=[O:6])[H:13])([H:10])[H:11])([H:7])[H:9].[H:8][H:12],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H5NO.H2/c1-2-5-3-4-6;/h4H,1,3H2;1H",111.79999,50.953829999999996,
2914,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]([H:8])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])[H:9],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h5H,1-3H2",71.79544,15.969779999999998,
2915,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[N:3])([H:7])([H:8])[H:9].[C:4]([C:5](=[O:6])[H:12])([H:10])([H:11])[H:13],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C2H3N.C2H4O/c2*1-2-3/h1H3;2H,1H3",80.33953000000001,7.8593,
2916,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[O+:6][C-:5]([H:12])[C:4]([H:10])([H:11])[N:3]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h3,5H,2H2,1H3",82.00524,63.43255,
2917,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]=[C:4]([H:10])[C:5]([H:12])([H:13])[O:6]1)([H:7])[H:9].[H:8][H:11],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H5NO.H2/c1-4-5-2-3-6-4;/h2H,1,3H2;1H",91.10199,35.33907,
2918,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]=[C:4]([H:10])[H:11])=[O+:6][C-:5]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(5-2)6-3/h2-3H2,1H3",94.30984000000001,77.95496,
2919,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](/[N:3]=[C:4](\[C:5]([H:10])([H:12])[H:13])[H:11])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H7NO/c1-3-5-4(2)6/h3H,1-2H3/b5-3-",65.72819,-0.37044,
2920,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]=[N+:3]=[C:4]([C:5]([O:6][H:10])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H7NO/c1-2-5-3-4-6/h3,6H,4H2,1H3",91.56753,53.639590000000005,
2921,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H7NO/c1-2-5-3-4-6/h2,4H,3H2,1H3/b5-2+",99.15615,15.882729999999999,
2922,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]1[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3",62.27035,16.15002,ketoenol
2923,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([N:3]=[C:2]=[O:6])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3",InChI=1S/C2H3NO.C2H4/c1-3-2-4;1-2/h1H3;1-2H2,81.98453,15.487020000000001,
2924,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C-:5]=[O+:6]1)([H:7])([H:8])[H:9].[H:12][H:13],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H5NO.H2/c1-4-5-2-3-6-4;/h2H2,1H3;1H",86.91515,67.2847,
2925,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[O+:6][C:5]([H:12])([H:13])[C-:4]([H:10])[N:3]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2,5H,3H2,1H3",82.2382,56.21516999999999,
2926,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[C:4]([H:10])([H:11])[H:12])[O+:6]=[C-:5][H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(5-2)6-3/h3H,1-2H3/b5-4-",85.86676999999999,78.04769,
2927,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N+:3]=[C-:4][C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H5NO.H2/c1-4-5-2-3-6-4;/h3H2,1H3;1H",90.34700000000001,75.08686999999999,
2928,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([N+:2]([C-:3]([H:10])[H:11])=[C:4]([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-5(2)4-6(5)3/h4H2,1-3H3","InChI=1S/C5H11N/c1-5(2)6(3)4/h3H2,1-2,4H3",48.71897,24.86737,
2929,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([C:4]([N:2]=[C:3]([H:10])[H:11])([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-5(2)4-6(5)3/h4H2,1-3H3","InChI=1S/C5H11N/c1-5(2,3)6-4/h4H2,1-3H3",92.28036,-14.75039,
2930,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:3]([H:10])[C:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])[H:9].[H:8][H:11],"InChI=1S/C5H11N/c1-5(2)4-6(5)3/h4H2,1-3H3","InChI=1S/C5H9N.H2/c1-5(2)4-6(5)3;/h4H,3H2,1-2H3;1H",84.12425,67.89535,
2931,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:11])=[C:4]1[C:5]([H:12])([H:13])[H:14])([H:7])([H:8])[H:9].[C:6]([H:10])([H:15])([H:16])[H:17],"InChI=1S/C5H11N/c1-5(2)4-6(5)3/h4H2,1-3H3","InChI=1S/C4H7N.CH4/c1-4-3-5(4)2;/h3H,1-2H3;1H4",121.67607,53.45624,
2932,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([N+:2]1([C:5]([H:12])([H:13])[H:14])[C:3]([H:10])([H:11])[C-:4]1[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-5(2)4-6(5)3/h4H2,1-3H3","InChI=1S/C5H11N/c1-5-4-6(5,2)3/h4H2,1-3H3",108.25891000000001,59.6057,
2933,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:4]([C:6]([H:15])([H:16])[H:17])[C:3]1([H:10])[H:11])([H:7])[H:9].[C:5]([H:8])([H:12])([H:13])[H:14],"InChI=1S/C5H11N/c1-5(2)4-6(5)3/h4H2,1-3H3","InChI=1S/C4H7N.CH4/c1-4-3-5(4)2;/h2-3H2,1H3;1H4",94.97914,59.06834,
2934,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:10])[C-:3]([H:11])[C:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-5(2)4-6(5)3/h4H2,1-3H3","InChI=1S/C5H11N/c1-5(2)4-6(5)3/h4,6H,1-3H3",65.65661,51.47262,
2935,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:11])[C:3]([H:10])=[C:4]=[C:5]([H:12])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h3-5H,1H3/t5-/m0/s1",85.96896,72.09674,
2936,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:3]1([H:10])[C-:2]=[O+:6][C:5]([H:12])=[C:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-3,5H,1H3/t5-/m1/s1",83.75532,62.59056999999999,
2937,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C:4](=[C:5]([H:11])[H:12])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-4-3-5(2)6-4/h3H,1H2,2H3",84.37344,38.64141,
2938,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:7])([H:10])[C:4]([H:11])=[C:5]([H:12])[O:6]1)([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2,4H,1,3H2",91.21554,18.45894,
2939,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]=[C:5]([H:11])[H:12])[H:10])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-3-4-5(2)6/h4H,1H2,2H3",67.82681,25.81599,
2940,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C-:5]=[O+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h3H,2H2,1H3",64.14804000000001,55.69295,Singlet_Carbene_Intra_Disproportionation
2941,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]12[C:3]([H:10])=[C:4]([H:11])[C@:5]1([H:12])[O:6]2)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-3-2-4(5)6-5/h2-4H,1H3/t4-,5+/m0/s1",104.72769,65.8871,Intra_2+2_cycloaddition_Cd
2942,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C@:5]1([H:12])[C:4]([H:11])=[C:3]([H:10])[C-:2]=[O+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-3,5H,1H3/t5-/m1/s1",147.85392,56.77216,
2943,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3",85.83606999999999,30.42977,
2944,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-2-3-4-5-6/h2,4-5H,1H3",69.75296999999999,31.2617,
2945,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[C:4]([H:11])[C:5]([H:7])([H:12])[O:6]1)([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-3H,1,4H2",90.80223000000001,16.873179999999998,Intra_ene_reaction
2946,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3",88.29908,32.04355,
2947,[O:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]12[C:4]3=[C:5]1[C:6]23[H:10])([H:8])[H:9])[H:7],"InChI=1S/C5H4O/c1-2-3-4-5-6/h1,6H,5H2","InChI=1S/C5H4O/c6-1-5-2-3(5)4(2)5/h2,6H,1H2",88.21292,72.35902,
2948,[O:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C-:3]=[C:4]1[C+:5]=[C:6]1[H:10])([H:8])[H:9])[H:7],"InChI=1S/C5H4O/c1-2-3-4-5-6/h1,6H,5H2","InChI=1S/C5H4O/c6-4-3-5-1-2-5/h1,6H,4H2",55.52543000000001,57.012269999999994,
2949,[O:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]=[C:4]([C:5]#[C:6][H:10])[H:9])[H:8])[H:7],"InChI=1S/C5H4O/c1-2-3-4-5-6/h1,6H,5H2","InChI=1S/C5H4O/c1-2-3-4-5-6/h1,3,5-6H",75.32171,-0.08749,
2950,[O:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]=[C:4]=[C:5]=[C:6]([H:9])[H:10])[H:8])[H:7],"InChI=1S/C5H4O/c1-2-3-4-5-6/h1,6H,5H2","InChI=1S/C5H4O/c1-2-3-4-5-6/h5-6H,1H2",77.74311999999999,1.86726,Intra_ene_reaction
2951,[O:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C+:4][C:5]#[C-:6])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C5H4O/c1-2-3-4-5-6/h1,6H,5H2","InChI=1S/C5H4O/c1-2-3-4-5-6/h4,6H,5H2",105.77996,50.13923,
2952,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],[H:8][H:10].[O:1]([C:2]1=[C:3]([H:9])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H6O2.H2/c5-3-1-4(6)2-3;/h1,3,5-6H,2H2;1H/t3-;/m1./s1",107.21491999999999,28.38686,
2953,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],[O:1]([C:6]([C@@:4]([C:3]([C:2][H:8])([H:9])[H:10])([O:5][H:12])[H:11])([H:13])[H:14])[H:7],"InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H8O2/c1-2-4(6)3-5/h1,4-6H,2-3H2/t4-/m1/s1",109.9744,77.43966,
2954,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],[C:4]([O:5][H:12])(=[C:6]([H:13])[H:14])[H:11].[O:1]([C:2](=[C:3]([H:9])[H:10])[H:8])[H:7],"InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2/t3-,4+","InChI=1S/2C2H4O/c2*1-2-3/h2*2-3H,1H2",82.5596,15.29285,
2955,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],[O:1]=[C:2]([C:6]([C:4](=[C:3]([H:9])[H:10])[H:11])([H:13])[H:14])[H:8].[O:5]([H:7])[H:12],"InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H6O.H2O/c1-2-3-4-5;/h2,4H,1,3H2;1H2",73.14277,1.62384,
2956,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],[O:1]1[C@@:2]2([H:8])[C:3]([H:9])([H:10])[C@:4]1([H:11])[C:6]2([H:13])[H:14].[O:5]([H:7])[H:12],"InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H6O.H2O/c1-3-2-4(1)5-3;/h3-4H,1-2H2;1H2/t3-,4+;",84.4943,47.10122,
2957,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[C:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14],"InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H6O2.H2/c5-3-1-4(6)2-3;/h3,5H,1-2H2;1H",82.85604000000001,13.27169,
2958,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:10])=[C:4]([H:11])[C:6]1([H:13])[H:14])[H:7].[O:5]([H:9])[H:12],"InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H6O.H2O/c5-4-2-1-3-4;/h1-2,4-5H,3H2;1H2/t4-;/m0./s1",68.33009,17.833070000000003,"1,3_Insertion_ROR"
2959,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:12])([C:6]([C:4](=[O:5])[H:11])([H:13])[H:14])[H:8])[H:7],"InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m0/s1",72.98006,-12.78663,
2960,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]#[N:6])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N+:2]([C:3]([H:10])([H:11])[H:12])([C-:4]([C:5]#[N:6])[H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3","InChI=1S/C4H8N2/c1-6(2)4-3-5/h4,6H,1-2H3",65.62716,43.11412,
2961,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]#[N:6])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([N+:6]#[C-:5])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3","InChI=1S/C4H8N2/c1-5-4-6(2)3/h4H2,2-3H3",44.343920000000004,19.46629,
2962,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]#[N:6])([H:13])[H:14])([H:7])([H:8])[H:9],[C-:1]([N+:2]([C:3]([H:10])([H:11])[H:12])([C:4]([C:5]#[N:6])([H:13])[H:14])[H:8])([H:7])[H:9],"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3","InChI=1S/C4H8N2/c1-6(2)4-3-5/h6H,1,4H2,2H3",80.3369,68.27559000000001,
2963,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]#[N:6])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5][N:6]1[H:8],"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3","InChI=1S/C4H8N2/c1-6-3-2-5-4-6/h5H,3-4H2,1H3",79.24831,40.703559999999996,
2964,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]#[N:6])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N+:2]([C-:3]([H:10])[H:12])=[C:4]([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9].[H:11][H:14],"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3","InChI=1S/C4H6N2.H2/c1-6(2)4-3-5;/h4H,1H2,2H3;1H",65.89596,47.24732,
2965,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]#[N:6])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N+:2]([C:3]([H:10])([H:11])[H:12])=[C:4]([C:5](=[N-:6])[H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3","InChI=1S/C4H8N2/c1-6(2)4-3-5/h3-4H,1-2H3",68.79939,61.676730000000006,
2966,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]#[N:6])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](=[N:2][C:3]([H:10])([H:11])[H:12])([H:7])[H:9].[C:4](=[C:5]=[N:6][H:8])([H:13])[H:14],"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3","InChI=1S/C2H5N.C2H3N/c1-3-2;1-2-3/h1H2,2H3;3H,1H2",68.44434,32.647059999999996,Retroene
2967,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]#[N:6])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[N:6]=[C:5]=[C:4]([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3","InChI=1S/C4H8N2/c1-4-5-6(2)3/h1H2,2-3H3",99.96454,40.8481,
2968,[C:1]([C:2]([C:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3]1([C:4]([H:12])([H:13])[H:14])=[C:6]([H:17])[C:5]1([H:15])[H:16].[H:9][H:18],"InChI=1S/C6H12/c1-3-6(2)4-5-6/h3-5H2,1-2H3","InChI=1S/C4H6.C2H4.H2/c1-4-2-3-4;1-2;/h2H,3H2,1H3;1-2H2;1H",111.38465,76.43549,
2969,[C:1]([C:2]([C:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3]([C:4]([H:12])([H:13])[H:14])(=[C:5]([H:15])[H:16])[C:6]([H:9])([H:17])[H:18],"InChI=1S/C6H12/c1-3-6(2)4-5-6/h3-5H2,1-2H3","InChI=1S/C4H8.C2H4/c1-4(2)3;1-2/h1H2,2-3H3;1-2H2",92.01286,16.56101,
2970,[C:1]([C:2]([C:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:6]([C:5]([C:4]([H:12])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-3-6(2)4-5-6/h3-5H2,1-2H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3-5H2,1-2H3",103.5862,69.71449,
2971,[C:1]([C:2]([C:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:6]([C:5]([C:3][C:4]([H:12])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-3-6(2)4-5-6/h3-5H2,1-2H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3,5-6H2,1-2H3",104.81824,67.78851,
2972,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18],[C:1](=[C:6]([H:17])[H:18])([H:7])[H:8].[C:2](=[C:3]([H:11])[H:12])([H:9])[H:10].[C:4](=[C:5]([H:15])[H:16])([H:13])[H:14],InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,InChI=1S/3C2H4/c3*1-2/h3*1-2H2,124.45523999999999,67.9572,
2973,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4][C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h4-6H,3H2,1H3/t4-/m1/s1",69.88616,62.04578000000001,
2974,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3]/[C:4](=[C:5](/[O:6][H:14])[H:13])[H:11])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h3-5H,2H2,1H3/b4-3+",102.14067,-0.61358,
2975,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([O:3][C@:4]([C:2][H:10])([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h1,4-5H,3H2,2H3/t4-/m1/s1",114.59879,83.70945999999999,
2976,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]1([H:11])[H:14])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:12])[H:13],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C3H6O.CH2O/c1-3-2-4-3;1-2/h3H,2H2,1H3;1H2/t3-;/m1./s1",92.41414,18.40475,
2977,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]1=[C:5]([H:12])[H:13])([H:7])([H:8])[H:9].[O:6]([H:11])[H:14],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O.H2O/c1-3-4(2)5-3;/h4H,1H2,2H3;1H2/t4-;/m1./s1",78.74154,13.75159,"1,3_Insertion_ROR"
2978,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:4]([O:3][H:10])([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-2-4(6)3-5/h4-6H,3H2,1H3/t4-/m1/s1",71.93815,66.34244,
2979,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@@:4]([O:3][H:14])([C:5]([O:6][H:7])([H:12])[H:13])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2/t4-/m1/s1",56.45523000000001,-7.260460000000001,
2980,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:14])([C:4]([C:5](=[O:6])[H:12])([H:11])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1",53.0058,-22.79464,
2981,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:12])(/[C:4](=[C:5](\[O:6][H:14])[H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h2-6H,1H3/b3-2-/t4-/m1/s1",65.82252,-11.08885,
2982,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:14])[H:13])([H:11])[H:12],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/2C2H4O/c2*1-2-3/h2H,1H3;2-3H,1H2",66.02002,-3.08026,
2983,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h5H,3-4H2,1H3",76.54642,37.09547,
2984,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([O+:3]=[C:4]([C:5]([O:6][H:14])([H:12])[H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h2,4-5H,3H2,1H3",64.89201,52.50269,
2985,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@@:4]1([C:5](=[O:6])[H:12])[H:13])([H:7])([H:8])[H:9].[H:11][H:14],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2.H2/c1-3-4(2-5)6-3;/h2-4H,1H3;1H/t3-,4-;/m1./s1",92.5238,19.58853,
2986,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C@@:2]12([H:10])[O:3][C@:4]1([H:11])[C@:5]2([O:6][H:14])[H:13],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C3H4O2.CH4/c4-1-2-3(1)5-2;/h1-4H;1H4/t1-,2-,3+;",121.77755,52.24054,
2987,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O+:3]=[C-:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h2,4-5H,3H2,1H3/t4-/m1/s1",100.79084,40.49172,
2988,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:3]=[C-:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h5H,2-3H2,1H3",74.88705999999999,36.57901,
2989,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:14])([C@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4+/m1/s1",58.172540000000005,0.5351899999999999,
2990,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]=[N:5][H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3","InChI=1S/C4H7N/c1-4(2)3-5/h5H,1-2H3",92.77833000000001,23.81746,
2991,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C+:2]=[C:4]=[N-:5])([H:6])([H:7])[H:8].[C:3]([H:9])([H:10])([H:11])[H:12],"InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3",InChI=1S/C3H3N.CH4/c1-2-3-4;/h1H3;1H4,90.28588,87.62309,
2992,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([N+:5]#[C-:4])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3","InChI=1S/C4H7N/c1-4(2)5-3/h4H,1-2H3",60.5295,21.06545,
2993,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:12])/[C:4]1=[N:5]\[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3","InChI=1S/C4H7N/c1-3-2-4(3)5/h3,5H,2H2,1H3/b5-4+/t3-/m0/s1",107.6002,37.081179999999996,
2994,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4]([C:5]([H:15])([H:16])[H:17])(=[O:6])[H:14].[H:13][H:18],"InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1","InChI=1S/C3H6.C2H4O.H2/c1-3-2;1-2-3;/h3H,1H2,2H3;2H,1H3;1H",84.68590999999999,40.24843,
2995,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[C:5]([H:15])[H:17])[H:14])[H:10])([H:7])([H:8])[H:9].[O:6]([H:16])[H:18],"InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1","InChI=1S/C5H10.H2O/c1-4-5(2)3;/h4-5H,1H2,2-3H3;1H2",64.49537,13.60865,"1,3_Insertion_ROR"
2996,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])([H:7])([H:8])[H:9].[C:3]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1","InChI=1S/C4H8O.CH4/c1-3-4(2)5;/h4-5H,1-2H3;1H4/t4-;/m1./s1",90.49213,85.95358,
2997,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:6][H:18])[H:10])([H:7])([H:8])[H:9].[C:4]([C:5]([H:15])([H:16])[H:17])[H:14],"InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1","InChI=1S/C3H8O.C2H4/c1-3(2)4;1-2/h3-4H,1-2H3;1H,2H3",123.07871000000002,98.95608,
2998,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](/[C:5]([H:15])([H:16])[H:17])[H:14])[H:10])([H:7])([H:8])[H:9].[C:3]([O:6][H:18])([H:11])([H:12])[H:13],"InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1","InChI=1S/C4H8.CH4O/c1-3-4-2;1-2/h3-4H,1-2H3;2H,1H3/b4-3+;",113.02439,24.45316,"1,3_Insertion_ROR"
2999,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([H:15])([H:16])[H:17])=[O:6])[H:10])([H:7])([H:8])[H:9].[H:14][H:18],"InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1","InChI=1S/C5H10O.H2/c1-4(2)5(3)6;/h4H,1-3H3;1H",79.95849,12.696660000000001,
3000,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[C:2](=[C:3]([H:11])[H:12])([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])[H:10],"InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1","InChI=1S/C4H8O.CH4/c1-3-4(2)5;/h3-5H,1H2,2H3;1H4/t4-;/m1./s1",113.5474,19.677960000000002,
3001,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:7])([H:10])[N:4]([H:11])[N:5]=[N:6]1)([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h1-2H2,(H,4,5)",103.16873000000001,29.29723,
3002,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[N:6][N:5]=[N:4][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-2-3-5-6-4/h2,4H,1H3",119.53643999999998,55.58404,
3003,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C+:3]([H:10])[N:4]([H:11])[N-:5][N:6]1[H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2,4-5H,1H2",81.16199999999999,47.2097,
3004,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([c:2]1[c:3]([H:10])[n:4][n:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)",46.46115,-4.94337,
3005,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[N:4](=[N+:5]=[N-:6])[H:11],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H4.HN3/c2*1-3-2/h1H,2H3;1H",89.92389,59.662009999999995,
3006,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2](/[C:3](=[N:4]/[H:11])[H:10])[N+:6]#[N:5])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3(2-4)6-5/h2,4H,1H3/b4-2+",34.27772,20.31392,
3007,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:6][N:5]=[N:4][C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H2,1H3",52.300329999999995,21.98135,
3008,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1(/[C:3](=[N:4]/[H:11])[H:10])[N:5]=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3(2-4)5-6-3/h2,4H,1H3/b4-2+",66.88722,34.69559,
3009,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:6]=[C:2]=[C:3]([N:4]([N:5])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-5-2-3-6-4/h3,6H,1H3",128.15848,72.26928000000001,
3010,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])=[C:4]([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9].[H:12][H:13],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8O.H2/c1-4-2-3-5(4)6;/h2-6H,1H3;1H/t4-,5+;/m0./s1",123.14029,34.5002,
3011,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8O.H2/c1-4-2-3-5(4)6;/h2,5-6H,3H2,1H3;1H/t5-;/m1./s1",123.64533,31.045790000000004,
3012,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:14].[C@:2]12([H:10])[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]2([O:6][H:16])[H:15],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C4H6O.CH4/c5-4-2-1-3(2)4;/h2-5H,1H2;1H4/t2-,3+,4+;",139.59695,38.040620000000004,
3013,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9].[H:7][H:16],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8O.H2/c1-2-3-4-5-6;/h2,5H,1,3-4H2;1H",69.66568000000001,18.60458,
3014,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4]([H:13])([H:14])[H:16])([H:11])[H:12])([C:5](=[O:6])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1",71.42249,-13.826429999999998,
3015,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2]1([H:10])=[C:3]([H:11])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C4H6O.CH4/c5-4-2-1-3-4;/h1-2,4-5H,3H2;1H4/t4-;/m0./s1",117.08941000000002,23.9809,
3016,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:5](\[O:6][H:16])[H:15])[H:10])([H:7])([H:8])[H:9].[C:3](=[C:4]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h2-4H,1H3;1-2H2/b3-2-;",94.27193,17.9139,
3017,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]1[H:15])([H:7])([H:8])[H:9].[O:6]([H:14])[H:16],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8.H2O/c1-5-3-2-4-5;/h2-3,5H,4H2,1H3;1H2/t5-;/m1./s1",70.29941,16.73301,"1,3_Insertion_ROR"
3018,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:11])[H:12])([H:10])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3",72.45474,-12.38847,
3019,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:5]([C:4]([C:3]([H:10])([H:11])[H:12])([H:13])[H:14])([O:6][H:16])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-3-5(6)4-2/h5-6H,3H2,1-2H3/t5-/m1/s1",78.12599,65.75348000000001,
3020,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9].[H:15][H:16],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8O.H2/c1-4-2-3-5(4)6;/h4H,2-3H2,1H3;1H/t4-;/m0./s1",81.15312,11.42313,
3021,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:16])[H:15])([H:13])[H:14],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2-3H,1H2",93.81166999999999,17.15907,
3022,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:7])([H:8])[H:9].[C:5]([O:6][H:16])[H:15],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C4H8.CH2O/c1-4-2-3-4;1-2/h4H,2-3H2,1H3;1-2H",106.53452,78.63968,
3023,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1](/[C:2]([O:3][H:10])=[C:4](/[O:5][H:9])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C3H6O2/c1-3(5)2-4/h2,4-5H,1H3/b3-2-",64.16677,4.54472,ketoenol
3024,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:11])([H:6])([H:7])[H:8].[H:9][H:10],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C3H4O2.H2/c1-3(5)2-4;/h2H,1H3;1H",92.03755,24.81075,
3025,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]([C:4](=[O:5])[H:11])[H:9])([H:6])[H:7].[O:3]([H:8])[H:10],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C3H4O.H2O/c1-2-3-4;/h2-3H,1H2;1H2",69.17575,15.232529999999999,"1,3_Insertion_ROR"
3026,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[C:4]([O:5][H:10])([H:9])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3",37.01251,-5.07426,
3027,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:4]=[O:5])[H:9])([H:6])([H:7])[H:8].[O:3]([H:10])[H:11],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C3H4O.H2O/c1-2-3-4;/h2H,1H3;1H2",84.77264,11.0013,"1,3_Insertion_ROR"
3028,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]([O:3][H:10])([C:4][O:5][H:11])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C3H6O2/c1-3(5)2-4/h3-5H,1H3/t3-/m1/s1",80.22363,52.86254,
3029,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[O:3][C@:4]1([O:5][H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C3H6O2/c1-2-3(4)5-2/h2-4H,1H3/t2-,3-/m1/s1",56.960609999999996,16.61935,
3030,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:7])=[C:3]([H:9])[C:4]([H:10])([H:11])[C@:5]1([O:6][H:8])[H:12],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1,3-5H,2H2/t4-/m0/s1",45.1984,5.40926,
3031,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C@:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1=[O:6])[H:12],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m1/s1",85.25771,9.48519,
3032,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C@:2]2([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2,"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-2-4-5-3(1)6-4/h3-4H,1-2H2/t3-,4+",53.88491,28.03746,
3033,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C:4]([H:10])[H:11])[H:9])([H:7])[H:8])[C:5](=[O:6])[H:12],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2",77.111,3.5114099999999997,
3034,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O+:1](=[C-:2][H:7])[C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-6-4-2-3-5/h1,3H,2,4H2",118.78861,68.25798,
3035,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([H:7])([H:8])[H:9])[O:6][C:5](=[C:4]([H:10])[H:11])[H:12],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3",99.17276,0.35118,
3036,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[H:8][H:12].[O:1]1[C:2]([H:7])=[C:3]([H:9])[C:4]([H:10])([H:11])[C:5]1=[O:6],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H4O2.H2/c5-4-2-1-3-6-4;/h1,3H,2H2;1H",66.09095,8.96753,
3037,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[C:5](=[O:6])[H:12],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2",75.27507,11.55971,
3038,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3][C:5]([C:6]([O:4][H:10])([H:13])[H:14])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C4H8O2/c5-3-1-2-4-6/h5-6H,1,3-4H2",102.41587,67.29621999999999,
3039,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:2]([H:8])[H:9].[O:1]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C3H6O2.CH2/c4-3(5)1-2-3;/h4-5H,1-2H2;1H2",131.30764,109.17459,
3040,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C@@:3]1([O:4][H:10])[C:6]([C:5]([H:7])([H:11])[H:12])([H:13])[H:14],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C4H8O2/c1-2-4(5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1",51.97632,-2.55202,
3041,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:3]1(=[O:4])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14].[H:7][H:10].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2",InChI=1S/C3H4O.CH2O.H2/c4-3-1-2-3;1-2;/h1-2H2;1H2;1H,105.15303999999999,49.03461,
3042,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2]([C:5]([C:6]([C:3][O:4][H:10])([H:13])[H:14])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C4H8O2/c5-3-1-2-4-6/h5-6H,1-3H2",92.46817,39.3984,
3043,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:3]1([O:4][H:10])=[C:6]([H:14])[C:5]1([H:11])[H:12].[H:7][H:13].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C3H4O.CH2O.H2/c4-3-1-2-3;1-2;/h1,4H,2H2;1H2;1H",106.26088,71.83054,
3044,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[H:9][H:10].[O:1]([C@:2]1([H:8])[C:3](=[O:4])[C:6]([H:13])([H:14])[C:5]1([H:11])[H:12])[H:7],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C4H6O2.H2/c5-3-1-2-4(3)6;/h3,5H,1-2H2;1H/t3-;/m0./s1",75.24989000000001,11.65648,
3045,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[H:9][H:13].[O:1](/[C:2](=[C:3](\[O:4][H:10])[C:6](=[C:5]([H:11])[H:12])[H:14])[H:8])[H:7],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C4H6O2.H2/c1-2-4(6)3-5;/h2-3,5-6H,1H2;1H/b4-3-;",107.00568999999999,18.5902,
3046,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:3]1([O:4][H:10])([H:9])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14].[O:1]([C:2][H:8])[H:7],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C3H6O.CH2O/c4-3-1-2-3;1-2/h3-4H,1-2H2;1-2H",89.49614,78.7476,
3047,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]1[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:8])[H:7].[O:4]([H:9])[H:10],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C4H6O.H2O/c5-3-4-1-2-4;/h3,5H,1-2H2;1H2",79.59604,18.72736,"1,3_Insertion_ROR"
3048,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1](/[C:2](=[C:4](/[C:3]([H:9])([H:10])[H:11])[C:5]#[N:6])[H:8])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c1-4(2-5)3-6/h3,6H,1H3/b4-3-",65.07588,-15.4874,
3049,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[H:8][H:9].[O:1]([C:2]1=[C:3]([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H3NO.H2/c5-2-3-1-4(3)6;/h1,3,6H;1H/t3-;/m0./s1",120.28211999999999,49.740809999999996,
3050,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]([C:2]([C:3]([C+:4]=[C:5]=[N-:6])([H:9])[H:10])([H:8])[H:11])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h6H,2,4H2",68.67378000000001,66.41342,
3051,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:6]=[C:5]=[C:4]1[H:11])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1,4,6H,3H2/t4-/m1/s1",98.23827,68.98221,
3052,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]([C:2](/[C:3](=[C:4](\[C:5]#[N:6])[H:11])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1-2,6H,4H2/b2-1-",65.02619,-4.63967,
3053,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1](/[C:2](=[C:3](/[C:4]([C:5]#[N:6])([H:9])[H:11])[H:10])[H:8])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h2,4,6H,1H2/b4-2+",73.64442,-7.50064,
3054,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:11])([C+:4]=[C:5]=[N-:6])[H:8])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c1-4(6)2-3-5/h4,6H,1H3/t4-/m0/s1",65.08051999999999,61.94101,
3055,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([N+:6]#[C-:5])[H:11])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c1-5-3-2-4(3)6/h3-4,6H,2H2/t3-,4+/m1/s1",61.81601,24.17848,
3056,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]([C@@:2]([C:4](=[C:3]([H:9])[H:10])[H:11])([C:5]#[N:6])[H:8])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c1-2-4(6)3-5/h2,4,6H,1H2/t4-/m0/s1",89.65735,-0.35638000000000003,
3057,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[C:2]1([H:8])=[C:3]([H:9])[C:4]1([C:5]#[N:6])[H:11].[O:1]([H:7])[H:10],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H3N.H2O/c5-3-4-1-2-4;/h1-2,4H;1H2",77.27136,35.37928,
3058,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]([C:2][C:3]([C:4]([C:5]#[N:6])([H:8])[H:11])([H:9])[H:10])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h6H,1-2H2",56.833969999999994,34.77309,
3059,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[C:2]1([H:8])=[C:4]([H:11])[C:3]1([H:9])[H:10].[O:1]([C:5]#[N:6])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C3H4.CHNO/c1-2-3-1;2-1-3/h1-2H,3H2;3H",98.65606,55.489940000000004,
3060,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]=[C:2]([C:3]([C:4](=[C:5]=[N:6][H:7])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1,4-5H,2H2",33.10174,7.76008,
3061,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:7])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2",53.722159999999995,-17.55696,
3062,[C:1](/[C:2](=[N:3]\[O:4][H:10])[C:5]#[C:6][H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]12[N:3]([O:4][H:10])[C@@:6]1([H:11])[C:5]2)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2)5-6/h1,6H,2H3/b5-4+","InChI=1S/C4H5NO/c1-4-2-3(4)5(4)6/h3,6H,1H3/t3-,4+,5?/m0/s1",62.533919999999995,63.78232,
3063,[C:1](/[C:2](=[N:3]\[O:4][H:10])[C:5]#[C:6][H:11])([H:7])([H:8])[H:9],[C:1]([C+:2]([N:3]([O-:4])[H:10])[C:5]#[C:6][H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2)5-6/h1,6H,2H3/b5-4+","InChI=1S/C4H5NO/c1-3-4(2)5-6/h1,5H,2H3",51.913470000000004,10.78757,
3064,[C:1](/[C:2](=[N:3]\[O:4][H:10])[C:5]#[C:6][H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]=[O:4])=[C:5]=[C:6]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2)5-6/h1,6H,2H3/b5-4+","InChI=1S/C4H5NO/c1-3-4(2)5-6/h1H2,2H3",93.72570999999999,8.57884,
3065,[C:1](/[C:2](=[N:3]\[O:4][H:10])[C:5]#[C:6][H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]=[O:4])[C:5]#[C:6][H:11])([H:7])[H:8].[H:9][H:10],"InChI=1S/C4H5NO/c1-3-4(2)5-6/h1,6H,2H3/b5-4+","InChI=1S/C4H3NO.H2/c1-3-4(2)5-6;/h1H,2H2;1H",75.17585,47.04221,
3066,[C:1](/[C:2](=[N:3]\[O:4][H:10])[C:5]#[C:6][H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]([O:4][H:10])[H:9])[C:5]#[C:6][H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c1-3-4(2)5-6/h1,6H,2H3/b5-4+","InChI=1S/C4H5NO/c1-3-4(2)5-6/h1,5-6H,2H2",89.28384,14.13389,
3067,[C:1](/[C:2](=[N:3]\[O:4][H:10])[C:5]#[C:6][H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]\[O:4][H:10])[C:6](=[C:5])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2)5-6/h1,6H,2H3/b5-4+","InChI=1S/C4H5NO/c1-3-4(2)5-6/h3,6H,2H3/b5-4+",52.38626,50.10095,Singlet_Carbene_Intra_Disproportionation
3068,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1](/[C:2]([O:3][H:9])=[C:4](\[C:5]#[N:6])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1,6H,5H2/b3-1+",54.646330000000006,13.32269,ketoenol
3069,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[H:7][H:9].[N:1](=[C:2]1\[O:3][C@:4]1([C:5]#[N:6])[H:10])\[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H2N2O.H2/c4-1-2-3(5)6-2;/h2,5H;1H/b5-3-;/t2-;/m0./s1",116.97178999999998,74.88953000000001,
3070,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1](=[C:2](/[O:3][H:8])[C:4]([C:5]#[N:6])([H:9])[H:10])\[H:7],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)",46.20173,12.38759,ketoenol
3071,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:4]([N+:6]#[C-:5])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H4N2O/c1-5-2-3(4)6/h2H2,(H2,4,6)",60.60428,23.11349,
3072,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([O:3][C:5]#[N:6])=[C:4]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H4N2O/c1-3(5)6-2-4/h1,5H2",85.98536,42.87977,ketoenol
3073,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])[N:6]=[C:5]=[C:4]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H4N2O/c1-2-5-3(4)6/h1H2,(H2,4,6)",82.76033000000001,23.1526,
3074,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1]([C-:2]=[O+:3][C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H4N2O/c4-1-2-6-3-5/h2,5H2",108.44693999999998,55.5293,
3075,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[C:4]([C:5]#[N:6])([H:7])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)",InChI=1S/C2H3N.CHNO/c1-2-3;2-1-3/h1H3;2H,79.48228,9.19108,
3076,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([O:3][N+:6]#[C-:5])=[C:4]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H4N2O/c1-3(4)6-5-2/h1,4H2",119.85716000000001,101.88935,
3077,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[C:2](=[O:3])=[C:4]([H:9])[H:10].[N:1]([C:5]#[N:6])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)",InChI=1S/C2H2O.CH2N2/c1-2-3;2-1-3/h1H2;2H2,93.2863,40.08332,
3078,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[C:4](=[C:5]=[N:6][H:8])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C2H3N.CHNO/c1-2-3;2-1-3/h3H,1H2;2H",58.02515,34.13053,Retroene
3079,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C:2](=[C:3]([O-:4])[H:9])[N+:6]#[C:5][H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C3H4N2O/c1-5-3(4)2-6/h1-2H,4H2",54.73483,51.54513,
3080,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([c:2]1[c:3]([H:9])[o+:4][c-:5][n:6]1[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1,5H,4H2",72.09766,33.6682,
3081,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N+:1]([c:2]1[c-:3][o:4][c:5]([H:10])[n:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C3H3N2O/c4-3-1-6-2-5-3/h2H,4H2/q-1/p+1",79.92277,66.82914,
3082,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[C:5](#[N:6])[H:10].[N:1]([C+:2]=[C:3]([O-:4])[H:9])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C2H3NO.CHN/c3-1-2-4;1-2/h2H,3H2;1H",69.13217,60.76033,
3083,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[N:6]1[C:5](=[O:4])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-5(3)2-6/h1-2H,4H2",78.34805,68.4484,ketoenol
3084,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C@@:2]1([H:9])[C-:3]=[O+:4][C:5]([H:10])=[N:6]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h2-3H,4H2/t3-/m1/s1",66.12775,63.03825,Singlet_Carbene_Intra_Disproportionation
3085,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C:2]#[N+:6][C-:5]([O+:4]=[C-:3][H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C3H4N2O/c1-6-3-5-2-4/h1,3H,4H2",127.21056999999999,107.96337,
3086,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1](=[C:2]1[C:3]([H:8])([H:9])[O:4][C:5]([H:10])=[N:6]1)[H:7],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h2,4H,1H2",74.32826,4.12925,
3087,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:6][C@:5]2([H:10])[C@@:3]1([H:9])[O:4]2)([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-2-1-3(5-2)6-1/h1,3H,(H2,4,5)/t1-,3-/m0/s1",82.83722,56.925259999999994,
3088,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N-:1]([c:2]1[c:3]([H:9])[o+:4][c:5]([H:10])[n:6]1[H:8])[H:7],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2,4-5H",63.5829,37.80383,
3089,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C:2]#[C:3][H:9])([H:7])[H:8].[O:4]=[C:5]=[N:6][H:10],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C2H3N.CHNO/c1-2-3;2-1-3/h1H,3H2;2H",106.07323999999998,30.801309999999997,
3090,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:16])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1,"InChI=1S/C6H10/c1-2-6-4-3-5(1)6/h5-6H,1-4H2/t5-,6+",InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-5H2,69.81055,42.82424,
3091,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:15])=[C:6]12.[H:14][H:16],"InChI=1S/C6H10/c1-2-6-4-3-5(1)6/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H8.H2/c1-2-6-4-3-5(1)6;/h1,6H,2-4H2;1H/t6-;/m1./s1",122.93611000000001,53.946490000000004,
3092,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]([C:2]([H:9])([H:10])[H:11])([C@@:6]1([H:16])[C:3][C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:7])[H:8],"InChI=1S/C6H10/c1-2-6-4-3-5(1)6/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-2-6-4-3-5-6/h6H,2-4H2,1H3/t6-/m1/s1",78.63985,58.782059999999994,
3093,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]([C@@:6]1([H:16])[C@:3]([C:2][H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-2-6-4-3-5(1)6/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-5-3-4-6(5)2/h1,5-6H,3-4H2,2H3/t5-,6+/m0/s1",81.68926,72.26415,
3094,[O:1]=[c:2]1[n:3]([H:7])[n:4][n:5][o:6]1,[O-:1][c+:2]1[n-:3][n:4]([H:7])[n:5][o+:6]1,"InChI=1S/CHN3O2/c5-1-2-3-4-6-1/h(H,2,4,5)",InChI=1S/CHN3O2/c5-1-2-3-4-6-1/h3H,69.12471,18.14815,
3095,[O:1]=[c:2]1[n:3]([H:7])[n:4][n:5][o:6]1,[N-:4]=[N+:5]=[O:6].[O:1]=[C:2]=[N:3][H:7],"InChI=1S/CHN3O2/c5-1-2-3-4-6-1/h(H,2,4,5)",InChI=1S/CHNO.N2O/c2-1-3;1-2-3/h2H;,41.47806,-14.82455,
3096,[O:1]=[c:2]1[n:3]([H:7])[n:4][n:5][o:6]1,[N:3](=[N+:4]=[N-:5])[H:7].[O:1]=[C:2]=[O:6],"InChI=1S/CHN3O2/c5-1-2-3-4-6-1/h(H,2,4,5)",InChI=1S/CO2.HN3/c2-1-3;1-3-2/h;1H,18.97799,-26.208779999999997,
3097,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]([N:3]([C:4][H:12])[H:11])([C:5]([O:6][H:15])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-4(3-6)5-2/h2,4-6H,3H2,1H3/t4-/m1/s1",100.78322,26.04298,
3098,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]1=[C:5]([H:13])[H:14])([H:7])([H:8])[H:9].[O:6]([H:12])[H:15],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H7N.H2O/c1-3-4(2)5-3;/h4-5H,1H2,2H3;1H2/t4-;/m1./s1",77.97927,17.34589,"1,3_Insertion_ROR"
3099,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@:2]2([H:10])[N:3]([H:11])[C@:4]2([H:12])[C:5]1([H:13])[H:14].[O:6]([H:8])[H:15],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H7N.H2O/c1-2-4-3(1)5-4;/h3-5H,1-2H2;1H2/t3-,4+;",101.0482,21.65873,
3100,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C:4][C:5]([O:6][H:15])([H:13])[H:14])[H:11])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-2-5-3-4-6/h5-6H,2,4H2,1H3",68.63582,30.56942,
3101,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N+:3]([C:5]([O:6][H:15])([H:13])[H:14])([H:11])[C-:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-4-2-5(4)3-6/h2,4-6H,3H2,1H3/t4-/m1/s1",104.40881999999999,57.555040000000005,
3102,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:4]([N:3]([C:5]([O:6][H:15])([H:13])[H:14])[H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-2-3-5-4-6/h2-3,5-6H,4H2,1H3",78.50631,-9.76547,
3103,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C-:2]([N:3]([C+:4]([C:5]([O:6][H:15])([H:13])[H:14])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-2-5-3-4-6/h2-3,5-6H,4H2,1H3",51.23723,30.13822,
3104,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[C:4]([C:5]([O:6][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-2-5-3-4-6/h2,6H,3-4H2,1H3/b5-2+",66.5719,-12.24387,
3105,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:3]1([H:11])[C-:2]([H:10])[C@@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h2,4-6H,3H2,1H3/t4-/m1/s1",110.64613999999999,60.27035,
3106,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:4]([N:3]([H:10])[H:11])([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-2-4(5)3-6/h4,6H,3,5H2,1H3/t4-/m1/s1",76.33881,64.05978,
3107,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](/[N:3]=[C:4](/[C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-2-5-3-4-6/h3,6H,2,4H2,1H3/b5-3+",64.8069,-12.218,
3108,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2][N:3]([C:4]([C:5]([O:6][H:15])([H:13])[H:14])([H:10])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-2-5-3-4-6/h5-6H,3-4H2,1H3",70.56017,29.49888,
3109,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([N+:4]#[C:5][H:11])[H:10])[O-:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(6)3-5-2/h2-3H,1H3",49.52698,45.48542,
3110,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:3]1([H:10])[C-:2]=[O+:6][C:5]([H:11])=[N:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h3-4H,1H3/t4-/m0/s1",80.62184,59.39886,
3111,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[N:4][C:5]([H:9])([H:11])[O:6]1)([H:7])[H:8],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2H,1,3H2",94.14393000000001,19.1326,
3112,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c-:5][o+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2,5H,1H3",69.95964000000001,30.322879999999998,
3113,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[N:4]1[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-5(4)3-6/h2-3H,1H3",82.44581,70.26965,ketoenol
3114,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[O:6])[H:10])([H:7])([H:8])[H:9].[N:4]#[C:5][H:11],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C3H4O.CHN/c1-2-3-4;1-2/h2H,1H3;1H",92.3902,28.94997,
3115,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2](/[C:3](=[N:4]\[C:5](=[O:6])[H:11])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-2-3-5-4-6/h2-4H,1H2/b5-3-",93.50598000000001,21.854039999999998,
3116,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C-:3]=[N+:4]=[C:5]([H:11])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h3-4H,1H3/t4-/m1/s1",74.17848000000001,66.71963000000001,Singlet_Carbene_Intra_Disproportionation
3117,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[N:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-2-3-5-4-6/h2,4H,1H3",78.45945,27.36037,
3118,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[N:4]1=[C:5]([H:11])[O:6]1,"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C3H4.CHNO/c1-3-2;1-2-3-1/h1H,2H3;1H",134.04379,122.88722,
3119,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:9])([H:10])[N:4]=[C:5]([H:11])[O:6]1)([H:7])[H:8],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h3H,1-2H2",92.18522,16.16173,
3120,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([c:2]1[c-:3][n:4]([H:10])[c:5]([H:11])[o+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h3,5H,1H3",87.72698000000001,50.24772,
3121,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C@:3]1([H:10])[N:4]=[C:5]1[H:11])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-3(6)4-2-5-4/h2,4H,1H3/t4-/m1/s1",86.3975,40.64145,ketoenol
3122,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[C:4]([C:5]#[N:6])[H:13])([H:10])[H:11].[H:7][H:12].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C3H3N.CH2O.H2/c1-2-3-4;1-2;/h2H,1H2;1H2;1H",90.5901,48.80605,
3123,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[H:7][H:9].[O:1]=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])[H:8],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C4H5NO.H2/c5-3-1-2-4-6;/h4H,1-2H2;1H",85.46691,19.30753,
3124,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4]([N+:6]#[C-:5])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C4H7NO/c1-5-3-2-4-6/h6H,2-4H2",59.20731,22.845760000000002,
3125,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5][N:6]1[H:9])[H:7],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h4-6H,1-2H2/t4-/m0/s1",93.74271,39.21102,
3126,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:4](=[C:5]=[N:6][H:9])([H:12])[H:13].[O:1]([C:2](=[C:3]([H:10])[H:11])[H:8])[H:7],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C2H3N.C2H4O/c2*1-2-3/h3H,1H2;2-3H,1H2",70.69959,42.08077,Retroene
3127,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]1([C:5]#[N:6])[H:13].[O:1]([H:7])[H:12],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C4H5N.H2O/c5-3-4-1-2-4;/h4H,1-2H2;1H2",89.37881,16.43321,
3128,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2](=[C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])[H:11])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C4H5N.H2O/c1-2-3-4-5;/h2H,1,3H2;1H2",68.48429,13.244029999999999,"1,3_Insertion_ROR"
3129,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])/[C:5]1=[N:6]/[H:7],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-",60.31145,-3.89704,
3130,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C@@:2]([C:3]([H:8])([H:10])[H:11])([N:6]=[C:5]=[C:4]([H:12])[H:13])[H:9])[H:7],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C4H7NO/c1-3-5-4(2)6/h4,6H,1H2,2H3/t4-/m0/s1",94.91523000000001,22.8307,
3131,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:9])([H:10])[H:11].[O:1]([C:2][H:8])[H:7],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C3H5N.CH2O/c1-2-3-4;1-2/h2H2,1H3;1-2H",84.42071,69.20395,
3132,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4](=[C:5]=[N:6][H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C4H7NO/c5-3-1-2-4-6/h1,5-6H,2,4H2",78.53929000000001,24.29993,
3133,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1](=[C:2]([C:3](=[N+:4]=[C-:5][H:10])[H:9])[H:8])=[C:6]([H:7])[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-3-4-5-6-2/h2,4-5H,1H2",154.0248,90.14560999999999,
3134,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])=[C:6]=[C:5]([H:10])[N:4]([H:11])[C:3]([H:9])=[C:2]1[H:8],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-2,4-6H",114.98313,59.4455,
3135,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])=[C:6]([H:11])[C-:5]=[N+:4]=[C:3]([H:9])[C:2]1([H:8])[H:10],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-2,5H,3H2",112.24478,83.43819,
3136,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]12([H:7])[C:2]([H:8])=[C:3]([H:9])[N:4]1[C:5]([H:10])=[C:6]2[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,InChI=1S/C5H5N/c1-3-6-4-2-5(1)6/h1-5H,117.76733,83.06697,
3137,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C@:1]12([H:7])[C@:2]3([H:8])[C:3]([H:9])=[N:4][C@@:5]1([H:10])[C@:6]23[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-3-4(2)5(3)6-1/h1-5H/t2-,3+,4-,5+",97.75184,64.7897,
3138,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])=[C:2]([H:8])[C@:3]2([H:9])[N:4]=[C:5]([H:10])[C@:6]12[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-5-4(1)3-6-5/h1-5H/t4-,5-/m0/s1",94.68297,73.3063,Intra_2+2_cycloaddition_Cd
3139,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])=[C:2]([H:8])[C:3]([H:9])([H:11])[N-:4][C:5]([H:10])=[C+:6]1,InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-2,5H,4H2",123.54778,97.07744,
3140,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])=[C:2]=[C:3]([H:9])[N:4]=[C:5]([H:10])[C:6]1([H:8])[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1,4-5H,2H2",110.22757,81.08601,
3141,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])([H:9])[C:2]([H:8])=[C:3]=[N:4][C:5]([H:10])=[C:6]1[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h2-4H,1H2",122.553,74.18462,
3142,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])=[C:2]([H:8])[C-:3]([H:9])[N:4]([H:10])[C+:5]=[C:6]1[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-4,6H",84.65857,46.65941,
3143,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])=[C-:6][C:5]([H:10])([H:11])[N:4]=[C:3]([H:9])[C+:2]1[H:8],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-2,4H,5H2",91.72046,94.41315999999999,Singlet_Carbene_Intra_Disproportionation
3144,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1=[C:2]([H:8])[C:3]([H:9])=[N:4][C:5]([H:7])([H:10])[C:6]=1[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h2-4H,5H2",106.47835,78.42466,
3145,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]=[C:2]=[C:6](/[C:5](=[C:4](\[C:3]([H:7])([H:8])[H:9])[H:10])[H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-2-3-4-5-6/h2-4H,1H3/b3-2-",90.94568000000001,21.071460000000002,
3146,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]=[C:2]([C@:3]1([H:7])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12])[H:8],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c6-4-5-2-1-3-5/h1-2,4-5H,3H2/t5-/m0/s1",104.17325,35.13628,
3147,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]([C+:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C-:5]=[C:6]1[H:12])[H:11],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h4,6H,1,3H2",125.52233999999999,66.09898000000001,
3148,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]([C:2]1=[C:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12])[H:7],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3-4,6H,2H2",72.18514,12.39754,ketoenol
3149,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]1[C@@:2]23[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C@:5]2([H:11])[C@@:6]13[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-2-5-3(1)4(5)6-5/h3-4H,1-2H2/t3-,4-,5+/m1/s1",104.08781,99.43881999999999,
3150,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5][C:6]1([H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3-4H2",75.85358000000001,73.22211,Singlet_Carbene_Intra_Disproportionation
3151,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]=[C:2](/[C:6](=[C:5](\[C:4](=[C:3]([H:7])[H:8])[H:10])[H:11])[H:12])[H:9],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3-",109.9747,26.25781,
3152,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]1[C:2](=[C:3]([H:7])[H:8])[C@:6]1([C:5](=[C:4]([H:9])[H:10])[H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-3-5-4(2)6-5/h3,5H,1-2H2/t5-/m1/s1",80.64639,52.60896999999999,
3153,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]([C:2]1=[C:6]([H:12])[C:5]([H:11])=[C:4]([H:9])[C:3]1([H:7])[H:8])[H:10],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-3,6H,4H2",102.25366,14.234,
3154,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[H:10][H:12].[O-:1][C:2]1=[C+:6][C:5]([H:11])=[C:4]([H:9])[C:3]1([H:7])[H:8],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H4O.H2/c6-5-3-1-2-4-5;/h1-2H,3H2;1H",140.14161000000001,102.34876,
3155,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:11])[C:6]1([H:10])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2",74.92978000000001,3.58932,
3156,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O-:1][C:2](=[C+:3][H:7])/[C:6](=[C:5](\[C:4]([H:8])([H:9])[H:10])[H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-3-4-5(2)6/h2-4H,1H3/b4-3-",91.83489,91.2158,
3157,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]1[C@@:2]2([H:8])[C@:3]1([H:7])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]2[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1",97.20438,32.528079999999996,
3158,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]=[C:2]([C:3]([C:4]([H:9])([H:10])[H:11])([H:7])[H:8])[C:6](=[C:5])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-3-5(6)4-2/h4H,3H2,1H3",86.95198,80.45938000000001,
3159,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]=[C:2]=[C:6]([C:5]1([H:11])[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c6-4-3-5-1-2-5/h3,5H,1-2H2",82.39323,30.00327,
3160,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@:6]1([C:5](=[C:4]([H:9])[H:10])[H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-2-4-3-5(4)6/h2,4H,1,3H2/t4-/m1/s1",83.53621,44.27875,
3161,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]([C:2]1=[C:6]=[C:5]([H:11])[C:4]([H:9])([H:10])[C:3]1([H:7])[H:8])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,6H,2,4H2",76.72649,60.522659999999995,ketoenol
3162,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]1/[C:2](=[C:6](/[C:5](=[C:4]([H:9])[H:10])[H:11])[H:12])[C:3]1([H:7])[H:8],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h2-3H,1,4H2/b5-3+",83.25142,53.90498,
3163,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:2](=[C:3]=[C:4]([H:9])[H:10])[C:5]#[N:6])([H:7])[H:8],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,6H2",64.32518,-9.3596,
3164,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:3]1=[C:4]([H:10])[C@:2]1([C:5]#[N:6])[H:9])([H:7])[H:8],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C4H4N2/c5-2-3-1-4(3)6/h1,3H,6H2/t3-/m0/s1",86.43393,-0.18094000000000002,
3165,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[N+:1]([C-:2]([C:3]#[C:4][H:10])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C4H4N2/c1-2-4(6)3-5/h1H,6H3",60.11184,34.06943,
3166,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:2](=[C:5]=[N:6][C:3]#[C:4][H:10])[H:9])([H:7])[H:8],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C4H4N2/c1-2-6-4-3-5/h1,3H,5H2",100.24076,29.390909999999998,
3167,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C@@:2]([C:3]#[C:4][H:10])([N+:6]#[C-:5])[H:9])([H:7])[H:8],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C4H4N2/c1-3-4(5)6-2/h1,4H,5H2/t4-/m1/s1",49.16964,20.543029999999998,
3168,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:2]([C:3]#[C:4][H:10])=[C:5]=[N:6][H:9])([H:7])[H:8],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,5H,6H2",80.67681,16.71816,
3169,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[C:5]=[N:6][H:7].[N:1](=[C:2](/[C:3]#[C:4][H:10])[H:9])\[H:8],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C3H3N.CHN/c1-2-3-4;1-2/h1,3-4H;2H/b4-3+;",57.0155,32.66923,
3170,[O:1]([C:2]12[C:3]([H:8])([H:9])[C:4]([H:10])([C:5]1([H:11])[H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:5]([H:7])([H:11])[H:12])([H:10])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c6-5-1-4(2-5)3-5/h4,6H,1-3H2","InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3",63.8343,-33.86223,
3171,[O:1]([C:2]12[C:3]([H:8])([H:9])[C:4]([H:10])([C:5]1([H:11])[H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:2]1([C:6][H:13])[C:3]([H:8])([H:9])[C:4]([H:10])([H:14])[C:5]1([H:11])[H:12])[H:7],"InChI=1S/C5H8O/c6-5-1-4(2-5)3-5/h4,6H,1-3H2","InChI=1S/C5H8O/c1-5(6)3-2-4-5/h1,6H,2-4H2",79.69303000000001,61.60932,
3172,[O:1]([C:2]12[C:3]([H:8])([H:9])[C:4]([H:10])([C:5]1([H:11])[H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:2][C:3]([C:4]([C:5]([H:10])([H:11])[H:12])=[C:6]([H:13])[H:14])([H:8])[H:9])[H:7],"InChI=1S/C5H8O/c6-5-1-4(2-5)3-5/h4,6H,1-3H2","InChI=1S/C5H8O/c1-5(2)3-4-6/h6H,1,3H2,2H3",105.82661999999999,22.55017,
3173,[O:1]([C:2]12[C:3]([H:8])([H:9])[C:4]([H:10])([C:5]1([H:11])[H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:2]1([C:3]([H:8])([H:9])[H:10])[C:5]([H:11])([H:12])[C:4][C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-1-4(2-5)3-5/h4,6H,1-3H2","InChI=1S/C5H8O/c1-5(6)3-2-4-5/h6H,3-4H2,1H3",67.22496,51.935520000000004,
3174,[O:1]([c:2]1[c:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],[O:1]([C:2](=[C:3])/[N:6]=[C:5](\[O:4][H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,5H","InChI=1S/C3H3NO2/c1-3(6)4-2-5/h2,6H,(H,4,5)",97.45653,93.99933,
3175,[O:1]([c:2]1[c:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],[O-:1][c:2]1[c:3]([H:8])[o+:4][c:5]([H:9])[n:6]1[H:7],"InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,5H","InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,4H",50.06716,18.54751,
3176,[O:1]([c:2]1[c:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],[O:1]([C@:2]1([H:8])[C-:3]=[O+:4][C:5]([H:9])=[N:6]1)[H:7],"InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,5H","InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h2-3,5H/t3-/m1/s1",68.23398,65.35921,Singlet_Carbene_Intra_Disproportionation
3177,[O:1]([c:2]1[c:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],[O:1]([C:2](=[C:3]([O-:4])[H:8])[N+:6]#[C:5][H:9])[H:7],"InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,5H","InChI=1S/C3H3NO2/c1-4-3(6)2-5/h1-2H,(H-,5,6)",57.04683000000001,53.220290000000006,
3178,[O:1]([c:2]1[c:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],[C:5](#[N:6])[H:9].[O:1]([C:2](=[C+:3][H:8])[O-:4])[H:7],"InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,5H","InChI=1S/C2H2O2.CHN/c1-2(3)4;1-2/h1H,(H-,3,4);1H",99.80669,85.63199,
3179,[O:1]([c:2]1[c:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],[O:1]([C:2]1=[N:6][C@:3]1([O+:4]=[C-:5][H:9])[H:8])[H:7],"InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,5H","InChI=1S/C3H3NO2/c1-6-3-2(5)4-3/h1,3H,(H,4,5)/t3-/m0/s1",144.18464,100.8907,
3180,[O:1]([c:2]1[c:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],[O:1]([C:3](=[C:2]=[N:6][C:5](=[O:4])[H:9])[H:8])[H:7],"InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,5H","InChI=1S/C3H3NO2/c5-2-1-4-3-6/h2-3,5H",86.03922,36.51133,
3181,[O:1]([c:2]1[c:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],[O:1]([c:2]1[c:3]([H:8])[o+:4][c-:5][n:6]1[H:9])[H:7],"InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,5H","InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1,4-5H",73.65938,35.65302,
3182,[O:1]([c:2]1[c:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],[O:1]=[C:2]1[C:3]([H:7])([H:8])[O:4][C:5]([H:9])=[N:6]1,"InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,5H","InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h2H,1H2",66.38483000000001,-3.9951,ketoenol
3183,[N:1]([C:2](=[O:3])[C:4]#[C:5][H:8])([H:6])[H:7],[N:1](=[C:2](/[O:3][H:7])[C:4]#[C:5][H:8])\[H:6],"InChI=1S/C3H3NO/c1-2-3(4)5/h1H,(H2,4,5)","InChI=1S/C3H3NO/c1-2-3(4)5/h1H,(H2,4,5)",45.03395,11.01607,ketoenol
3184,[N:1]([C:2](=[O:3])[C:4]#[C:5][H:8])([H:6])[H:7],[N:1]([C:4]([C:2]#[O+:3])=[C-:5][H:8])([H:6])[H:7],"InChI=1S/C3H3NO/c1-2-3(4)5/h1H,(H2,4,5)","InChI=1S/C3H3NO/c1-3(4)2-5/h1H,4H2",71.75766,48.39015,
3185,[N:1]([C:2](=[O:3])[C:4]#[C:5][H:8])([H:6])[H:7],[N:1]([C:2]#[C:4][C:5](=[O:3])[H:8])([H:6])[H:7],"InChI=1S/C3H3NO/c1-2-3(4)5/h1H,(H2,4,5)","InChI=1S/C3H3NO/c4-2-1-3-5/h3H,4H2",79.78124,15.465,
3186,[C:1]([O:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([O+:2]=[C-:3][C:4]([C:5]([H:9])([H:12])[H:13])([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-3-4-5-2/h3H2,1-2H3",56.215230000000005,30.62888,
3187,[C:1]([O:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([O:2][C:3]1=[C:4]([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8].[H:9][H:10],"InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C4H6O.H2/c1-5-4-2-3-4;/h2H,3H2,1H3;1H",119.34556,52.32185,
3188,[C:1]([O:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C-:1]([O+:2]=[C:3]([C:5]([C:4]([H:8])([H:10])[H:11])([H:12])[H:13])[H:9])([H:6])[H:7],"InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-3-4-5-2/h4H,2-3H2,1H3",70.57708000000001,43.872170000000004,
3189,[C:1]([O:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([O:2][C:3](=[C:4]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8].[C:5]([H:12])[H:13],"InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C3H6O.CH2/c1-3-4-2;/h3H,1H2,2H3;1H2",98.50636999999999,103.73994,1+2_Cycloaddition
3190,[C:1]([O:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([O:2][C@@:3]([C:4]([H:10])([H:11])[H:12])([C:5][H:13])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-4(2)5-3/h1,4H,2-3H3/t4-/m1/s1",68.12701,69.46376,
3191,[C:1]([C:2]#[C:3][H:7])([H:4])([H:5])[H:6],[C:1](=[C:2]=[C:3]([H:5])[H:7])([H:4])[H:6],"InChI=1S/C3H4/c1-3-2/h1H,2H3",InChI=1S/C3H4/c1-3-2/h1-2H2,84.68471,0.37623,
3192,[C:1]([C:2]([O:3][H:9])([H:7])[H:8])([H:4])([H:5])[H:6],[C:1](=[C:2]([O:3][H:9])[H:7])([H:4])[H:6].[H:5][H:8],"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3","InChI=1S/C2H4O.H2/c1-2-3;/h2-3H,1H2;1H",108.44415,27.13165,
3193,[C:1]([C:2]([O:3][H:9])([H:7])[H:8])([H:4])([H:5])[H:6],[C:1]([C:2](=[O:3])[H:7])([H:4])([H:5])[H:6].[H:8][H:9],"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3","InChI=1S/C2H4O.H2/c1-2-3;/h2H,1H3;1H",84.88806,16.38662,
3194,[C:1]([C:2]([O:3][H:9])([H:7])[H:8])([H:4])([H:5])[H:6],[C:1]([O:3][H:9])([H:4])([H:5])[H:6].[C:2]([H:7])[H:8],"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3","InChI=1S/CH4O.CH2/c1-2;/h2H,1H3;1H2",129.69722,114.7014,"1,2_Insertion_carbene"
3195,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[O:1](/[C:2](=[C:3](/[O:4][H:8])[H:9])[C:5](=[O:6])[H:10])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H","InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-2,4,6H/b3-1+",55.63658,2.70031,ketoenol
3196,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[O:1]([C@@:2]1([H:8])[C@@:3]([O+:6]=[C-:5][H:10])([H:9])[O:4]1)[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H","InChI=1S/C3H4O3/c1-5-3-2(4)6-3/h1-4H/t2-,3-/m1/s1",100.00745,80.83255,
3197,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[O:4][C@:5]1([H:10])[O:6]2)[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H","InChI=1S/C3H4O3/c4-1-2-5-3(1)6-2/h1-4H/t1-,2-,3+",71.56577,58.98591,
3198,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[C-:3]#[O+:4].[O:1](/[C:2](=[C:5](\[O:6][H:9])[H:10])[H:8])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H",InChI=1S/C2H4O2.CO/c3-1-2-4;1-2/h1-4H;/b2-1-;,43.45346,4.74815,
3199,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[O:1]([O:6]/[C:5](=[C:2](\[C:3](=[O:4])[H:9])[H:8])[H:10])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H","InChI=1S/C3H4O3/c4-2-1-3-6-5/h1-3,5H/b3-1-",120.71642,64.46436,ketoenol
3200,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[O:1]([C@:2]([C:3][O:4][H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H","InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,3,5-6H/t3-/m0/s1",82.40956,53.04844,
3201,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[O:1]1[C@:2]([C:5](=[O:6])[H:10])([H:8])[C@:3]1([O:4][H:7])[H:9],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H","InChI=1S/C3H4O3/c4-1-2-3(5)6-2/h1-3,5H/t2-,3-/m0/s1",57.113569999999996,16.69954,
3202,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[O:1]1[C@:2]2([H:8])[C@@:3]1([H:9])[O:4][C@@:5]2([O:6][H:7])[H:10],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H","InChI=1S/C3H4O3/c4-2-1-3(5-1)6-2/h1-4H/t1-,2-,3+/m0/s1",52.182959999999994,35.16792,
3203,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[N+:5]([N-:6][H:12])[C:4]([H:11])=[C:3]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-6(4)5/h2-3,5H,1H3",117.43858,100.64208,
3204,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([c+:2]1[c:3]([H:10])[c-:4][n:5]([H:11])[n:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2,5-6H,1H3",77.10438,51.83808,
3205,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[C:4]([H:11])[N:5]([H:8])[N:6]1[H:12])([H:7])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3,5-6H,1H2",111.44498,40.33008,
3206,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)",47.36475,-0.30401999999999996,
3207,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:12])[C:3]([H:10])=[C:4]([H:11])[N:5]=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-4H,1H3/t4-/m0/s1",51.88988,31.10006,
3208,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@:3]1([H:10])[C:2][N:6]([H:12])[N:5]=[C:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2,4,6H,1H3/t4-/m0/s1",86.32151999999999,56.430969999999995,
3209,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C+:3]=[C:4]([H:11])[N-:5][N:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h3-4,6H,1H3/t4-/m0/s1",79.15751,80.28188,Singlet_Carbene_Intra_Disproportionation
3210,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1([N:6]([N:5])[H:12])[C:3]([H:10])=[C:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4(6-5)2-3-4/h2-3,6H,1H3",151.28278999999998,99.95666,
3211,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[C:4](#[N+:5][N-:6][H:12])[H:11],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C3H4.CH2N2/c2*1-3-2/h1H,2H3;1-2H",117.82,100.44344,
3212,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]=[C:4]([H:11])[N:5]([H:10])[N:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h3,5-6H,1H3",100.2957,65.88246,
3213,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2]([C@@:3]1([H:10])[C:4]([H:11])=[N:5]1)=[N:6]\[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-3(5)4-2-6-4/h2,4-5H,1H3/b5-3+/t4-/m1/s1",94.38448000000001,43.38281,
3214,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[C:4]([H:11])[N-:5][N+:6]1([H:9])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1,6H2",99.22943000000001,60.69469,
3215,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]=[N:5][H:11])[H:10])=[N:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4(6)2-3-5/h2,5-6H,1H3",87.30702,21.09028,
3216,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([O:5][C:4]([C:3]([C:2][H:9])([H:10])[H:11])([H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-3-4-5-2/h1H,3-4H2,2H3",126.10256000000001,87.71366,
3217,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C@@:2]([C:3](=[C:4]([H:12])[H:13])[H:11])([O:5][H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3/t4-/m0/s1",93.56444,-8.29958,
3218,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1](=[C:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])[H:7].[H:8][H:9],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1",InChI=1S/C4H6O.H2/c1-4-2-3-5-4;/h1-3H2;1H,107.5433,25.39281,
3219,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:11].[C:2]1([H:9])=[C:3]([H:10])[C:4]([H:12])([H:13])[O:5]1,"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H4O.CH4/c1-2-4-3-1;/h1-2H,3H2;1H4",113.89447,25.12369,
3220,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C@@:2]([C:3]([C:4][H:13])([H:10])[H:11])([O:5][H:12])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-3-4(2)5/h1,4-5H,3H2,2H3/t4-/m0/s1",78.36175,75.29796999999999,
3221,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1](/[C:2](=[C:3](/[C:4]([O:5][H:11])([H:12])[H:13])[H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+",87.85278000000001,-7.33495,
3222,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C:3]([H:10])=[C:4]([H:12])[O:5]1)([H:6])([H:7])[H:8].[H:11][H:13],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H6O.H2/c1-4-2-3-5-4;/h2-4H,1H3;1H/t4-;/m0./s1",118.94868999999998,32.66717,
3223,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O+:5]=[C-:4][H:13])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-4(2)5-3/h3-4H,1-2H3",84.22663,48.01412,
3224,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2][H:9])([H:6])([H:7])[H:8].[C:3]1([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1,"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C2H4O.C2H4/c1-2-3-1;1-2/h1-2H2;1H,2H3",122.1085,105.88221999999999,
3225,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2][C:3]([C:4]([O:5][H:9])([H:12])[H:13])([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-2-3-4-5/h5H,3-4H2,1H3",73.71069,58.671859999999995,
3226,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C-:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:13])=[O+:5]1.[C:1]([H:6])([H:7])([H:8])[H:12],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H4O.CH4/c1-2-4-3-1;/h2-3H,1H2;1H4",99.37602,77.53749,
3227,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2](=[O:5])[H:9])([H:6])([H:7])[H:8].[C:3](=[C:4]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C2H4O.C2H4/c1-2-3;1-2/h2H,1H3;1-2H2",64.38155,3.52125,2+2_cycloaddition
3228,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8].[C:4](=[O:5])([H:12])[H:13],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H6.CH2O/c1-3-2;1-2/h3H,1H2,2H3;1H2",62.863369999999996,9.63692,2+2_cycloaddition
3229,[C:1]1([H:5])([H:6])[C:2]([H:7])([H:8])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12],[C:1](=[C:4]([H:11])[H:12])([H:5])[H:6].[C:2](=[C:3]([H:9])[H:10])([H:7])[H:8],InChI=1S/C4H8/c1-2-4-3-1/h1-4H2,InChI=1S/2C2H4/c2*1-2/h2*1-2H2,101.63168,20.54206,
3230,[C:1]1([H:5])([H:6])[C:2]([H:7])([H:8])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12],[C:1]1([H:5])([H:6])[C:2]([H:8])=[C:3]([H:10])[C:4]1([H:11])[H:12].[H:7][H:9],InChI=1S/C4H8/c1-2-4-3-1/h1-4H2,"InChI=1S/C4H6.H2/c1-2-4-3-1;/h1-2H,3-4H2;1H",116.58648000000001,32.78886,
3231,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][C:4]([C:5]([C:6]([H:14])([H:15])[H:16])([H:10])[H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C5H10O/c1-3-4-5-6-2/h3-4H2,1-2H3",55.27441999999999,31.677979999999998,
3232,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:14])[H:15])([H:13])[H:16],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C3H6O.C2H4/c1-3-4-2;1-2/h3H,1H2,2H3;1-2H2",96.58654,16.87882,
3233,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:5]([C:4]([C:3][H:10])([H:11])[H:12])([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h1,5H,4H2,2-3H3/t5-/m1/s1",99.41145999999999,74.46045,
3234,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:6]([C:5](=[C:4]([H:11])[H:12])[H:13])([H:14])[H:16])([H:10])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C5H10O/c1-3-4-5-6-2/h3H,1,4-5H2,2H3",97.31478,-2.4372599999999998,
3235,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C:5]([C@@:3]1([H:10])[O:2][C:4]1([H:11])[H:12])([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m0/s1",121.54608,-5.99376,
3236,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:5]([C:3](=[C:4]([H:11])[H:12])[H:10])([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h4-5H,1H2,2-3H3/t5-/m1/s1",80.79058,-3.81868,
3237,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9].[C:3]1([H:10])=[C:5]([H:13])[C:4]1([H:11])[H:12],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C3H4.C2H6O/c1-2-3-1;1-3-2/h1-2H,3H2;1-2H3",120.82391000000001,50.61975,
3238,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][H:15])([H:7])([H:8])[H:9].[C@@:3]12([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]2([H:14])[H:16],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C4H6.CH4O/c1-3-2-4(1)3;1-2/h3-4H,1-2H2;2H,1H3/t3-,4+;",106.39116999999999,32.39821,
3239,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[C:4]([H:13])[H:14],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C4H8O.CH2/c1-4-2-5-3-4;/h4H,2-3H2,1H3;1H2",134.02138,129.49995,
3240,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([O+:5]=[C-:6][H:16])([H:13])[H:14])([H:11])[H:12])([H:10])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-4-5-6-2/h2H,3-5H2,1H3",81.99377,64.24855,
3241,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C-:4]([H:13])[O+:5]=[C:6]1[H:16])([H:7])([H:8])[H:9].[H:14][H:15],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H8O.H2/c1-5-2-3-6-4-5;/h3-5H,2H2,1H3;1H/t5-;/m0./s1",85.19876,80.43876,
3242,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:4]([H:11])([H:13])[H:14])[H:12])[H:10])([H:7])([H:8])[H:9].[O:5]=[C:6]([H:15])[H:16],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3-4H,1-2H3;1H2/b4-3+;",87.69655999999999,21.74662,
3243,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2]1([H:10])=[C:3]([H:11])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C4H6O.CH4/c1-2-4-5-3-1;/h1-2H,3-4H2;1H4",113.34029,17.68251,
3244,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:14])([C:6]([O+:5]=[C-:4][H:13])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-5(2)4-6-3/h3,5H,4H2,1-2H3",82.47155,62.59587,
3245,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([O:5][H:10])([H:13])[H:14])([H:11])[H:12])=[C:6]([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3",83.83502,5.99043,
3246,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:16])([C:6](=[O+:5][C-:4]([H:13])[H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-5(2)4-6-3/h4-5H,3H2,1-2H3",119.65906000000001,66.65642,
3247,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]1([O:5][C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1",128.61772,26.04486,
3248,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[O:5]=[C:6]([H:15])[H:16],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3H,1,4H2,2H3;1H2",99.05201,24.84991,
3249,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[C:4]([H:13])[H:14])[H:11])([C:6]([O:5][H:12])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3/t5-/m0/s1",83.08528000000001,9.18333,
3250,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:6](=[O:5])[H:16])([H:10])[H:15])([H:7])([H:8])[H:9].[C:3](=[C:4]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h3H,2H2,1H3;1-2H2",88.26286999999999,19.06307,
3251,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2][H:10])([H:7])([H:8])[H:9].[C:3]1([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C3H6O.C2H4/c1-2-4-3-1;1-2/h1-3H2;1H,2H3",143.94118,119.09853999999999,
3252,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C-:4]=[O+:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H8O.H2/c1-5-2-3-6-4-5;/h5H,2,4H2,1H3;1H/t5-;/m0./s1",82.43635,63.9309,
3253,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])=[C:4]([H:13])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[H:11][H:14],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H8O.H2/c1-5-2-3-6-4-5;/h2-3,5H,4H2,1H3;1H/t5-;/m0./s1",106.88542,25.46245,
3254,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O+:5]=[C-:6]1)([H:7])([H:8])[H:9].[H:15][H:16],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H8O.H2/c1-5-2-3-6-4-5;/h5H,2-3H2,1H3;1H/t5-;/m0./s1",81.89303000000001,63.52765,
3255,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:6]([H:15])[H:16])[H:10])([H:7])([H:8])[H:9].[C:3]([C:4](=[O:5])[H:14])([H:11])([H:12])[H:13],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2H,1H3",91.51126,15.098670000000002,
3256,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:16])[O:5][C:4]([H:13])([H:14])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9].[H:10][H:15],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H8O.H2/c1-5-2-3-6-4-5;/h4H,2-3H2,1H3;1H",106.78128999999998,23.82827,
3257,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O+:4]=[C-:5][C@@:6]12[H:14].[H:12][H:13],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2/c1-4-2-6-3-5(1)4;/h4-5H,1-2H2;1H/t4-,5+;/m0./s1",82.93115999999999,64.10785,
3258,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1](=[C:6](/[C:2](=[C:3](\[O:4][C:5]([H:11])([H:12])[H:13])[H:10])[H:9])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-3-4-5-6-2/h3-5H,1H2,2H3/b5-4-",134.91378999999998,13.03254,
3259,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]([C:2]([C:3](=[O:4])[H:11])([H:9])[H:10])([C:6](=[C:5]([H:12])[H:13])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2",69.45293000000001,-7.208080000000001,
3260,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1](=[C:2]([C:6](=[C:5]([H:12])[H:13])[H:14])[H:9])([H:7])[H:8].[C:3](=[O:4])([H:10])[H:11],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C4H6.CH2O/c1-3-4-2;1-2/h3-4H,1-2H2;1H2",88.52856,21.23659,
3261,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[C:6]12.[H:13][H:14],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2/c1-4-2-6-3-5(1)4;/h2,5H,1,3H2;1H/t5-;/m0./s1",113.93371,64.67797,
3262,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]1([C:2][H:9])[H:14],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h1,5H,2-4H2/t5-/m1/s1",121.20244,72.24043,
3263,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1](=[C:6]([C:5]([O:4][C:3](=[C:2]([H:9])[H:11])[H:10])([H:12])[H:13])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-3-5-6-4-2/h3-4H,1-2,5H2",96.82262,10.24768,
3264,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[O:4][C:5]([H:12])=[C:6]1[H:14].[H:11][H:13],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2/c1-2-4-6-5-3-1;/h2-5H,1H2;1H",79.52479,14.112110000000001,
3265,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]([C@@:6]1([H:14])[C:2][C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h5H,3-4H2,1H3/t5-/m0/s1",63.52384,60.49515,
3266,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([C:3]([O+:4]=[C-:5][H:13])([H:10])[H:11])([H:9])[C:6]1([H:12])[H:14],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-6-4-5-2-3-5/h1,5H,2-4H2",83.69761,66.59402,
3267,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]([C:2][H:9])([C:6]1([H:14])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13])([H:7])[H:8],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h1,5H,2-4H2",109.44793,96.7234,
3268,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[O:4][C:5]([H:12])([H:13])[C:6]2([H:11])[H:14],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m0/s1",110.73573,2.7536400000000003,
3269,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:5]([H:16])[H:17])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[O:6]([H:14])[H:18],"InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3","InChI=1S/C5H10.H2O/c1-3-5-4-2;/h3H,1,4-5H2,2H3;1H2",67.83886,9.86127,"1,3_Insertion_ROR"
3270,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:16])([H:7])([H:8])[H:9].[C:3]1([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]1([O:6][H:18])[H:17],"InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3","InChI=1S/C3H6O.C2H6/c4-3-1-2-3;1-2/h3-4H,1-2H2;1-2H3",115.36981999999999,24.699089999999998,
3271,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:15])[H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[H:14][H:18],"InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3","InChI=1S/C5H10O.H2/c1-2-3-4-5-6;/h5H,2-4H2,1H3;1H",94.29515,16.53605,
3272,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]1([H:16])[H:17].[O:6]([H:9])[H:18],"InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3",InChI=1S/C5H10.H2O/c1-2-4-5-3-1;/h1-5H2;1H2,98.76464,-3.7454300000000003,
3273,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-2-3-5-4-6/h4H,3H2,1H3,(H,5,6)",79.4819,50.2491,
3274,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([N:4]([C:3][H:11])[H:12])=[C:5]([O:6][H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(3-6)5-2/h2-3,5-6H,1H3",69.86638,39.83535,
3275,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:5]#[O+:6])[C-:3]([H:10])[N:4]1[H:12])([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H5NO.H2/c1-4(3-6)2-5-4;/h2,5H,1H3;1H/t4-;/m0./s1",125.90709,90.17741,
3276,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:4]\[C:3]([H:10])([H:11])[H:12])[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(3-6)5-2/h3H,1-2H3/b5-4+",68.12808000000001,-10.27074,
3277,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:3]([N:4]([C+:2]=[C:5]([O-:6])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h4-5H,2H2,1H3",102.10242,24.74534,
3278,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C-:3]([H:10])[N+:4]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h2-3H,5H2,1H3/t4-/m0/s1",65.71899,50.498059999999995,
3279,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([N:4]([C+:3]([H:10])[H:11])[H:12])=[C:5]([O-:6])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(3-6)5-2/h3,5H,2H2,1H3",41.88531,12.710460000000001,
3280,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:5][O:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h5-6H,2H2,1H3/t4-/m0/s1",79.09722,51.82828,
3281,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2]([C:3]([C:5](=[O:6])[H:13])([H:10])[H:11])=[N:4]/[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(5)2-3-6/h3,5H,2H2,1H3/b5-4-",84.52494,-14.40575,
3282,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:5](=[O:6])[H:13])([H:7])([H:8])[H:9].[C:2]1[C:3]([H:10])([H:11])[N:4]1[H:12],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C2H3N.C2H4O/c1-2-3-1;1-2-3/h3H,1H2;2H,1H3",76.89008000000001,63.80845,
3283,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:5](=[O:6])[H:13])[H:9])([H:7])[H:8].[C:3](=[N:4][H:12])([H:10])[H:11],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C3H4O.CH3N/c1-2-3-4;1-2/h2-3H,1H2;2H,1H2",103.38246,15.723820000000002,
3284,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([N+:4]1([H:12])[C:2](=[C:5]([O-:6])[H:13])[C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3,6H,2H2,1H3",105.92849,49.23129,
3285,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2](=[C:3]([H:10])[H:11])[N:4]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C3H7N.CO/c1-3(2)4;1-2/h1,4H2,2H3;",87.1881,-16.0556,
3286,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[N:4]\[H:12])[H:11])=[C:5](/[O:6][H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(2-5)3-6/h2-3,5-6H,1H3/b4-3-,5-2-",71.22936,-6.20293,
3287,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3]([H:10])([H:11])[H:13])=[N:4][H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C3H7N.CO/c1-3(2)4;1-2/h4H,1-2H3;",85.58261,-20.10942,
3288,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[C:2]1([C:5](=[O:6])[H:13])=[C:3]([H:10])[N:4]1[H:12],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C3H3NO.CH4/c5-2-3-1-4-3;/h1-2,4H;1H4",129.62748,62.09555,
3289,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([O:6]/[C:5](=[C:2]1/[C:3]([H:10])([H:11])[N:4]1[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-6-3-4-2-5-4/h3,5H,2H2,1H3/b4-3-",111.55465,34.08548,ketoenol
3290,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2][N:4]([C:3]([C:5](=[O:6])[H:13])([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h4-5H,3H2,1H3",76.84493,33.67989,
3291,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([H:13])[O:6][N:4]([H:12])[C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-5-6-3-4/h3,5H,2H2,1H3",69.49724,26.739490000000004,ketoenol
3292,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:5]([O:6][H:12])([H:10])[H:13])[C:3]([H:11])=[N:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h2,6H,3H2,1H3/t4-/m0/s1",81.38741999999999,19.917070000000002,
3293,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]=[C:2]([C:3]([C:4]([C:5]([C:6][H:14])([H:11])[H:12])([H:9])[H:10])([H:8])[H:13])[H:7],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h1,5H,2-4H2",84.76137,79.02393000000001,
3294,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1](/[C:2](=[C:3](\[C:4]([C:5](=[C:6]([H:13])[H:14])[H:12])([H:9])[H:10])[H:8])[H:7])[H:11],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,4-6H,1,3H2/b5-4-",66.45649,4.19342,
3295,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C:3]1([H:8])=[C:6]([H:14])[C:5]([H:11])([H:12])[C:4]1([H:9])[H:10].[H:7][H:13].[O+:1]#[C-:2],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C4H6.CO.H2/c1-2-4-3-1;1-2;/h1-2H,3-4H2;;1H",77.11622,32.34128,
3296,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]=[C:2]([C@:3]([C:4][H:9])([C:6]([C:5]([H:10])([H:11])[H:12])([H:13])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-3-5(2)4-6/h2,4-5H,3H2,1H3/t5-/m1/s1",83.31148,78.57871999999999,
3297,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C:4](=[C:5]([H:11])[H:12])([H:9])[H:10].[O:1]=[C:2]([C:3](=[C:6]([H:13])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C3H4O.C2H4/c1-2-3-4;1-2/h2-3H,1H2;1-2H2",76.49033,20.72789,
3298,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[H:8][H:14].[O:1]=[C:2]([C:3]1=[C:6]([H:13])[C:5]([H:11])([H:12])[C:4]1([H:9])[H:10])[H:7],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H6O.H2/c6-4-5-2-1-3-5;/h2,4H,1,3H2;1H",100.7761,29.784190000000002,
3299,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]1[C:2]([H:7])=[C:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2",74.80382,-7.34797,ketoenol
3300,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[H:7][H:8].[O:1]=[C:2]=[C:3]1[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2",InChI=1S/C5H6O.H2/c6-4-5-2-1-3-5;/h1-3H2;1H,78.28787,30.472209999999997,
3301,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1](/[C:2](=[C:3](\[C:6]1([H:14])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8])[H:7])[H:13],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h3-6H,1-2H2/b4-3-",86.90923000000001,8.08905,
3302,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]1[C:2]([H:7])([H:8])[C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2",InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,78.35623000000001,19.03792,
3303,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O+:1](=[C-:2][H:7])[C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-6-5-3-2-4-5/h1,5H,2-4H2",111.03296,63.02255,
3304,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O-:1][C:2](=[C+:3][C:4]([C:5]([C:6]([H:8])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:7],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h5H,2-3H2,1H3",72.49302,65.17413,
3305,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]([C:2](=[C:3]1[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7])[H:8],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4,6H,1-3H2",70.50675,8.519639999999999,ketoenol
3306,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]([C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h5-6H,1-3H2",79.89076,52.03983,
3307,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]=[C:2]([C@:3]([C:4]([H:9])([H:10])[H:12])([C:6]([C:5][H:11])([H:13])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-3-5(2)4-6/h1,4-5H,3H2,2H3/t5-/m1/s1",83.74569,78.08102,
3308,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])[H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H7N/c1-2-3-5-4-6-5/h3,5-6H,1,4H2/t5-/m0/s1",79.49455999999999,2.41555,
3309,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]=[C:4]([H:10])[N:6]([H:13])[C:5]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h3,6H,4H2,1H3",73.90343,8.80671,
3310,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H7N/c1-4(2)5-3-6-5/h5-6H,3H2,1H3/t5-/m1/s1",57.09344,52.42345,
3311,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C+:1]([C:2](=[C-:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])[H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H7N/c1-2-3-5-4-6-5/h2,5-6H,1,4H2/t5-/m0/s1",79.48689,51.40643,
3312,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]1[C:5]([H:11])([H:12])[N:6]1[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H7N/c1-2-3-5-4-6-5/h2,6H,4H2,1H3",86.27178,10.5848,
3313,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[C-:3][C@@:4]1([H:10])[C+:5]([H:11])[N:6]1[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H7N/c1-2-3-5-4-6-5/h2,4-6H,1H3/t5-/m0/s1",124.67606,65.98069,
3314,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[C:3](=[C:4]=[N:5][H:6])([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C2H3N.CO/c1-2-3;1-2/h3H,1H2;",51.20286,17.23765,
3315,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O:1]=[C:4]1[C:3]([H:7])([H:8])[C:2]([H:6])=[N:5]1,"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C3H3NO/c5-3-1-2-4-3/h2H,1H2",138.85583,16.95235,
3316,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O:1]([C:2](=[C:3]([H:7])[H:8])[H:6])[C:4]#[N:5],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C3H3NO/c1-2-5-3-4/h2H,1H2",88.05787,24.453879999999998,ketoenol
3317,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O+:1](=[C-:2][H:6])[C:4]1=[N:5][C:3]1([H:7])[H:8],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C3H3NO/c1-5-3-2-4-3/h1H,2H2",128.07086,110.50663,
3318,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O:1]1[C@@:2]([C:4]#[N:5])([H:6])[C:3]1([H:7])[H:8],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m1/s1",100.60161,24.39953,
3319,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O:1]([C:2][C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C3H3NO/c4-2-1-3-5/h5H,1H2",80.92506999999999,50.973240000000004,
3320,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O:1]=[C:2]([N:5]=[C:4]=[C:3]([H:7])[H:8])[H:6],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C3H3NO/c1-2-4-3-5/h3H,1H2",64.01845,19.25163,
3321,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O:1]=[C:2]([C:3]([H:6])([H:7])[H:8])[C:4]#[N:5],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2",InChI=1S/C3H3NO/c1-3(5)2-4/h1H3,98.9663,-0.83996,
3322,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O:1]=[C:2]([C:3]([N+:5]#[C-:4])([H:7])[H:8])[H:6],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C3H3NO/c1-4-2-3-5/h3H,2H2",60.00561999999999,22.8719,
3323,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O:1](/[C:2](=[C:3](/[C:4]#[N:5])[H:7])[H:6])[H:8],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C3H3NO/c4-2-1-3-5/h1,3,5H/b3-1+",59.88253,2.28767,ketoenol
3324,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[C:4](#[N:5])[H:6].[O:1]=[C:2]=[C:3]([H:7])[H:8],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2",InChI=1S/C2H2O.CHN/c1-2-3;1-2/h1H2;1H,87.4767,19.03455,
3325,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:1](#[C:2][C:3]1=[C:4]([H:10])[O:5][C:6]1([H:11])[H:12])[H:7].[H:8][H:9],"InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2","InChI=1S/C5H4O.H2/c1-2-5-3-6-4-5;/h1,3H,4H2;1H",122.39305,28.057409999999997,
3326,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:1]1([H:7])=[C:2]2[C@:3]([H:8])([C:4]([H:9])([H:10])[O:5]1)[C:6]2([H:11])[H:12],"InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2","InChI=1S/C5H6O/c1-4-2-6-3-5(1)4/h2,5H,1,3H2/t5-/m0/s1",94.93700000000001,9.23606,
3327,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:1](#[C:2][C:3](=[C:6]([H:11])[H:12])[H:8])[H:7].[C:4](=[O:5])([H:9])[H:10],"InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2","InChI=1S/C4H4.CH2O/c1-3-4-2;1-2/h1,4H,2H2;1H2",62.43476,5.16461,2+2_cycloaddition
3328,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C-:1](=[C:2]([C+:3]1[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:8])[H:7],"InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2","InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1-2H,3-4H2",79.2342,57.52341,
3329,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:1](#[C:2][C:3]1([H:8])[C-:4]([H:9])[O+:5]=[C:6]1[H:12])[H:7].[H:10][H:11],"InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2","InChI=1S/C5H4O.H2/c1-2-5-3-6-4-5;/h1,3-5H;1H",93.10675,88.97440999999999,
3330,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:1](=[C:2]=[C:3]1[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2","InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,3-4H2",82.49117,-0.66713,
3331,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:1](#[C:2][C@:3]([C:4][H:9])([C:6]([O:5][H:10])([H:11])[H:12])[H:8])[H:7],"InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2","InChI=1S/C5H6O/c1-3-5(2)4-6/h1-2,5-6H,4H2/t5-/m0/s1",78.33123,75.42321,
3332,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]([H:12])[C@:6]2([C:5][H:11])[H:13],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-3-4-2-5(4)6-3/h1,3-6H,2H2/t3-,4+,5+/m0/s1",61.503640000000004,57.34976999999999,
3333,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:6]([H:13])[N:4]2[C@:3]1([H:10])[C:5]2([H:11])[H:12],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-2-5-4-6(5)3-1/h1,3,5H,2,4H2/t5-,6?/m0/s1",47.35835,-44.55665,
3334,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]([C@:3]1([H:10])[C:2][C@@:6]2([H:13])[N:4]1[C:5]2([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-4-2-5-3-6(4)5/h4-5H,3H2,1H3/t4-,5-,6?/m1/s1",62.7596,40.47144,
3335,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N+:4]([C-:5]([H:11])[H:12])=[C:6]2[H:13],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-6-3-4-2-5(4)6/h3-5H,1-2H2/t4-,5-/m1/s1",50.05263,13.10186,
3336,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1](=[C:3]([N:4]1[C:5]([H:11])([H:12])[C@:6]1([C:2][H:9])[H:13])[H:10])([H:7])[H:8],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-3-6-4-5(6)2/h2-3,5H,1,4H2/t5-,6?/m1/s1",61.458090000000006,41.80549,
3337,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:6]([H:13])[C:5]([H:11])([H:12])[N:4]=[C:3]1[H:10],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-2,5H,3-4H2",35.70448,-65.02288,
3338,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@:6]2([N:4]=[C:5]([H:11])[H:12])[H:13],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-6-5-3-2-4(3)5/h3-5H,1-2H2/t3-,4+,5-",61.521159999999995,-19.26199,
3339,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N+:4]1([H:12])[C-:5]([H:11])[C@@:6]21[H:13],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h2-6H,1H2/t3-,4+,5-/m0/s1",61.516580000000005,45.79184,
3340,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:6]([H:13])[N+:4]([C-:5]([H:11])[H:12])=[C:3]1[H:10],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2,4-5H,1,3H2",47.36886,-23.22275,
3341,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C+:2]([H:9])[C:5]([H:11])([H:12])[C@:6]2([H:13])[C@@:3]1([H:10])[N-:4]2,"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1,4-5H,2-3H2/t4-,5+",75.90783,10.78055,
3342,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C:2][C@@:6]2([H:13])[N:4]([C:3]1([H:9])[H:10])[C:5]2([H:11])[H:12],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-2-5-4-6(5)3-1/h5H,1,3-4H2/t5-,6?/m1/s1",57.28163000000001,18.531579999999998,
3343,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]([C@@:2]1([H:9])[C:3]([H:7])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:8],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-4-2-6-3-5(4)6/h1,4-5H,2-3H2/t4-,5-,6?/m0/s1",60.39986,54.04384,
3344,[C:1]([N:2]([C:3](=[O:4])[N:5]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1](/[N:2]=[C:3](/[O:4][H:9])[N:5]([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)","InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)",42.99687,14.02051,ketoenol
3345,[C:1]([N:2]([C:3](=[O:4])[N:5]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([O:4][C:3](=[N:2][H:9])[N:5]([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)","InChI=1S/C2H6N2O/c1-5-2(3)4/h1H3,(H3,3,4)",78.74632,18.725260000000002,ketoenol
3346,[C:1]([N:2]([C:3](=[O:4])[N:5]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([N:2](/[C:3]([O:4][H:11])=[N:5]\[H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)","InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)",44.05766,15.40975,ketoenol
3347,[C:1]([C:2](=[O:3])[H:7])([H:4])([H:5])[H:6],[C:1](=[C:2]=[O:3])([H:4])[H:6].[H:5][H:7],"InChI=1S/C2H4O/c1-2-3/h2H,1H3",InChI=1S/C2H2O.H2/c1-2-3;/h1H2;1H,81.21094000000001,26.07747,
3348,[C:1]([C:2](=[O:3])[H:7])([H:4])([H:5])[H:6],[C:1](=[C:2]([O:3][H:5])[H:7])([H:4])[H:6],"InChI=1S/C2H4O/c1-2-3/h2H,1H3","InChI=1S/C2H4O/c1-2-3/h2-3H,1H2",67.02157,9.29514,ketoenol
3349,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[C:4]([H:11])[H:12].[O:1]([C:2](/[C:3](=[C:5](\[O:6][H:14])[H:13])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H6O2.CH2/c4-2-1-3-5;/h1-2,4-5H,3H2;1H2/b2-1-;",105.35985,104.66128,1+2_Cycloaddition
3350,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[H:13][H:14].[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c5-2-3-1-4(3)6;/h3,5H,1-2H2;1H/t3-;/m1./s1",90.08667,29.62667,
3351,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[H:8][H:14].[O:1](/[C:2](=[C:3](/[C:4]([C:5](=[O:6])[H:13])([H:11])[H:12])[H:10])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c5-3-1-2-4-6;/h1,3-5H,2H2;1H/b3-1+;",57.4216,9.58215,
3352,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4]([C:5][O:6][H:14])([H:11])[H:12])([H:10])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8O2/c5-3-1-2-4-6/h5-6H,1-3H2",56.84961,35.74589,
3353,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5][O:6][H:14])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(2-5)3-6/h4-6H,2H2,1H3/t4-/m1/s1",62.62603000000001,42.33061,
3354,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](/[C:4](=[C:5](/[O:6][H:14])[H:13])[H:11])([H:10])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8O2/c5-3-1-2-4-6/h1,3,5-6H,2,4H2/b3-1+",68.24005,-9.49039,
3355,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[C:2](=[C:3]1[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c1-3-2-4(3)5;/h4-5H,1-2H2;1H2/t4-;/m1./s1",75.57767,22.169520000000002,"1,3_Insertion_ROR"
3356,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3][C@@:5]([C:4]([H:10])([H:11])[H:12])([O:6][H:14])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h4-6H,3H2,1H3/t4-/m1/s1",71.35937,68.11448,
3357,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]([C:5]([C:4]([C:3](=[C:2]([H:8])[H:9])[H:10])([H:11])[H:12])([O:6][H:14])[H:13])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-2-3-4(5)6/h2,4-6H,1,3H2",71.74558,-10.40728,
3358,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[C:2](=[C:3]([C:4]([C:5](=[O:6])[H:13])([H:11])[H:12])[H:10])([H:8])[H:9].[O:1]([H:7])[H:14],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c1-2-3-4-5;/h2,4H,1,3H2;1H2",40.388690000000004,-4.434880000000001,
3359,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]([C:4]([C@:5]([C:3](=[C:2]([H:8])[H:9])[H:10])([O:6][H:14])[H:13])([H:11])[H:12])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2/t4-/m0/s1",82.28855,-4.79129,
3360,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]1)([H:8])[H:9])[H:7].[O:6]([H:13])[H:14],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c5-3-4-1-2-4;/h4-5H,1,3H2;1H2/t4-;/m0./s1",81.75578,82.87912,
3361,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]1([H:10])[C:4]([H:12])=[C:5]1[H:13])([H:8])[H:9])[H:11].[O:6]([H:7])[H:14],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c5-3-4-1-2-4;/h1-2,4-5H,3H2;1H2",68.39144,37.29592,
3362,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]([C:4]([H:11])([H:12])[H:14])([C:5](=[O:6])[H:13])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m0/s1",65.93851,-18.7464,
3363,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C@:3]1([C:5](=[C:4]([H:11])[H:12])[H:13])[H:10].[O:6]([H:7])[H:14],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c1-2-4-3-5-4;/h2,4H,1,3H2;1H2/t4-;/m1./s1",75.52452,18.244329999999998,
3364,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[C:3]1([H:10])=[C:5]([H:13])[C:4]1([H:11])[H:12].[O:1]=[C:2]([H:8])[H:9].[O:6]([H:7])[H:14],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H4.CH2O.H2O/c1-2-3-1;1-2;/h1-2H,3H2;1H2;1H2",77.15388,54.80355,
3365,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3](=[O:4])[H:10])[N:5]=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-2-6-5-4-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3(2-6)4-5-3/h2H,1H3",37.64079,12.07037,ketoenol
3366,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N+:6]1=[C:2]=[C:3]([H:10])[O:4][N-:5]1)([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-2-6-5-4-3/h2H,1H3","InChI=1S/C3H4N2O/c1-5-2-3-6-4-5/h3H,1H3",117.93525,52.90138,
3367,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]([C:3][O:4][H:10])[N+:6]#[N:5])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-2-6-5-4-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3(2-6)5-4/h6H,1H3",69.81264,37.03155,
3368,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[O:4]=[N+:5]=[N-:6],"InChI=1S/C3H4N2O/c1-3-2-6-5-4-3/h2H,1H3","InChI=1S/C3H4.N2O/c1-3-2;1-2-3/h1H,2H3;",71.6859,31.95484,
3369,[C:1]([O:2][C:3](=[O:4])[C:5]([N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1]([O:2][H:13])([H:7])([H:8])[H:9].[C:5](=[N:6][H:12])([H:10])[H:11],"InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3","InChI=1S/CH3N.CH4O.CO/c3*1-2/h2H,1H2;2H,1H3;",74.32158000000001,37.34006,
3370,[C:1]([O:2][C:3](=[O:4])[C:5]([N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3]([O:4][H:10])=[C:5](\[N:6]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3","InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,5H,4H2,1H3/b3-2-",71.67352,28.24232,ketoenol
3371,[C:1]([O:2][C:3](=[O:4])[C:5]([N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]1([O:4][H:13])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3","InChI=1S/C3H7NO2/c1-6-3(5)2-4-3/h4-5H,2H2,1H3/t3-/m0/s1",69.49462,37.47576,
3372,[C:1]([O:2][C:3](=[O:4])[C:5]([N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([O-:4])=[C:5]([N+:6]([H:10])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3","InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,5H,4H2,1H3",65.23028000000001,36.33603,
3373,[C:1]([O:2][C:3](=[O:4])[C:5]([N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][O:4][H:12])([H:7])([H:8])[H:9].[C:5](=[N:6][H:13])([H:10])[H:11],"InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3","InChI=1S/C2H4O2.CH3N/c1-4-2-3;1-2/h3H,1H3;2H,1H2",69.1933,68.75155,
3374,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C-:4]=[C:5]=[C+:6][H:13])[H:11])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5-6-4-2/h1,6H,4H2,2H3",72.45407,21.25901,
3375,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C+:2]1[N:3]([H:11])[C@:4]1([C-:5]=[C:6]([H:10])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5-4(2)6-5/h5-6H,1H2,2H3/t5-/m0/s1",122.62286999999999,59.61728000000001,
3376,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[C:4]([C:5]#[C:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5-6-4-2/h1,4H,5H2,2H3/b6-4+",68.68565,-9.71466,
3377,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C-:2]1[N+:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,5H,6H2,2H3/t5-/m0/s1",66.76312,54.792080000000006,
3378,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]1=[C:5]=[C:6]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5-4(2)6-5/h4,6H,1H2,2H3/t4-/m1/s1",84.08218000000001,6.571160000000001,
3379,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])/[C:4]1=[C:5](\[C:6][H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,3-4,6H,2H3/b5-3-/t4-/m1/s1",80.78399,56.632380000000005,
3380,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N+:3]([H:11])([H:12])[C-:4]1[C:5]#[C:6][H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4H,6H2,2H3/t4-/m1/s1",60.67705,45.262440000000005,
3381,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]([C:4](=[C:5]=[C:6]([H:9])[H:13])[H:12])[H:11])[H:10])([H:7])[H:8],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5-6-4-2/h4-6H,1-2H2",44.90862,-10.128060000000001,
3382,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]([C:4]1([H:12])[C:5]([H:9])=[C:6]1[H:13])[H:11])[H:10])([H:7])[H:8],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-6-5-3-4-5/h2-6H,1H2",85.76413000000001,10.551630000000001,
3383,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C-:2]([N:3]([C:4](=[C:5]=[C+:6][H:13])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5-6-4-2/h1,4-6H,2H3",43.42109,19.75429,
3384,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[N:3](=[C:4](\[C:5]#[C:6][H:13])[H:12])\[H:11],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C3H3N.C2H4/c1-2-3-4;1-2/h1,3-4H;1-2H2/b4-3-;",97.18562,11.507610000000001,
3385,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],[C:1]([C:5]([N:6]([C:2][C:3]([O:4][H:12])([H:10])[H:11])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H9NO/c1-2-5-3-4-6/h5-6H,2,4H2,1H3",99.53853000000001,32.518190000000004,
3386,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],[C:1]([C-:2]1[C:5]([H:13])([H:14])[N+:6]1([C:3]([O:4][H:12])([H:10])[H:11])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H9NO/c1-4-2-5(4)3-6/h5-6H,2-3H2,1H3",105.95266000000001,59.59884,
3387,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:5]([N:6]([H:12])[H:15])([H:13])[H:14])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H9NO/c1-4(2-5)3-6-4/h2-3,5H2,1H3/t4-/m0/s1",57.027409999999996,0.76727,
3388,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],[C-:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C+:5]([H:13])[N:6]1[H:15])([H:8])[H:9].[H:7][H:14],"InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO.H2/c1-4(3-6)2-5-4;/h2,5-6H,1,3H2;1H/t4-;/m0./s1",131.63701,94.10599,
3389,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],[C:1](/[C:2]([C:3]([O:4][H:12])([H:10])[H:11])=[N:6]\[C:5]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H9NO/c1-4(3-6)5-2/h6H,3H2,1-2H3/b5-4+",61.806169999999995,-13.00976,
3390,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],[C:1]([C:2][N:6]([C:5]([C:3]([O:4][H:12])([H:10])[H:11])([H:13])[H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H9NO/c1-2-5-3-4-6/h5-6H,3-4H2,1H3",102.76366,22.738310000000002,
3391,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],[C:1]([C@:2]([C:3]([O:4][H:12])([H:10])[H:11])([N:6]([C:5][H:14])[H:15])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H9NO/c1-4(3-6)5-2/h2,4-6H,3H2,1H3/t4-/m1/s1",72.42926,31.9189,
3392,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:3][H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9].[O:4]([H:10])[H:12],"InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H7N.H2O/c1-4(2)3-5-4;/h1,5H,3H2,2H3;1H2/t4-;/m0./s1",81.59834000000001,15.544360000000001,
3393,[N:1](=[C:2](/[O:3][C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]1([H:7])[C:2]([H:8])=[O+:3][C:4]([H:9])([H:10])[C:5]([H:11])=[C-:6]1,"InChI=1S/C4H5NO/c1-2-3-6-4-5/h1,4-5H,3H2/b5-4+","InChI=1S/C4H5NO/c1-2-5-4-6-3-1/h1,4-5H,3H2",44.010909999999996,27.21555,
3394,[N:1](=[C:2](/[O:3][C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2](/[O:3]/[C:4](=[C:5](\[C:6][H:11])[H:10])[H:9])[H:8])\[H:7],"InChI=1S/C4H5NO/c1-2-3-6-4-5/h1,4-5H,3H2/b5-4+","InChI=1S/C4H5NO/c1-2-3-6-4-5/h1-5H/b3-2-,5-4+",73.52521,56.018209999999996,
3395,[N:1](=[C:2](/[O:3][C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2](/[O:3][C:4]([C:6](=[C:5])[H:11])([H:9])[H:10])[H:8])\[H:7],"InChI=1S/C4H5NO/c1-2-3-6-4-5/h1,4-5H,3H2/b5-4+","InChI=1S/C4H5NO/c1-2-3-6-4-5/h2,4-5H,3H2/b5-4+",56.71756,49.126540000000006,Singlet_Carbene_Intra_Disproportionation
3396,[N:1](=[C:2](/[O:3][C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:7],"InChI=1S/C4H5NO/c1-2-3-6-4-5/h1,4-5H,3H2/b5-4+","InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)",53.77195,-15.87405,ketoenol
3397,[N:1](=[C:2](/[O:3][C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2](/[O:3][C:6](=[C:5]=[C:4]([H:9])[H:10])[H:11])[H:8])\[H:7],"InChI=1S/C4H5NO/c1-2-3-6-4-5/h1,4-5H,3H2/b5-4+","InChI=1S/C4H5NO/c1-2-3-6-4-5/h3-5H,1H2/b5-4+",71.73431,3.3844800000000004,
3398,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[C:4]1([H:9])=[C:6]([H:13])[C:5]1([H:10])[H:11].[N:1]([C:2](=[O:3])[H:8])([H:7])[H:12],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C3H4.CH3NO/c1-2-3-1;2-1-3/h1-2H,3H2;1H,(H2,2,3)",50.87061,22.41033,Retroene
3399,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[N:1](=[C:2](/[O+:3]=[C-:4][C:6]([C:5]([H:9])([H:10])[H:11])([H:12])[H:13])[H:8])\[H:7],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C4H7NO/c1-2-3-6-4-5/h4-5H,2H2,1H3/b5-4+",56.80356999999999,34.51781,
3400,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[N:1]1([H:7])[C:2]([H:8])=[O+:3][C-:4]([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h3-5H,1-2H2",75.04138,41.23842,
3401,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[C:6]([H:12])[H:13].[N:1](=[C:2](/[O:3][C:4](=[C:5]([H:10])[H:11])[H:9])[H:8])\[H:7],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C3H5NO.CH2/c1-2-5-3-4;/h2-4H,1H2;1H2/b4-3+;",101.88228000000001,105.36084,1+2_Cycloaddition
3402,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[H:7][H:9].[N:1]#[C:2][H:8].[O:3]=[C:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+",InChI=1S/C3H4O.CHN.H2/c4-3-1-2-3;1-2;/h1-2H2;1H;1H,74.67227,35.46676,
3403,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[N:1]([C-:2]=[O+:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h4H,1-2,5H2",67.80046,21.73705,
3404,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)",56.92743000000001,-19.43958,ketoenol
3405,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([C:5]([C:4](=[C:6]([H:12])[H:13])[H:9])([H:10])[H:11])[H:7],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6)",55.43821,-23.388170000000002,
3406,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[N:1]#[C:2][H:8].[O:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C3H6O.CHN/c4-3-1-2-3;1-2/h3-4H,1-2H2;1H",59.33668,7.29263,
3407,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[N:1](=[C:2](/[C:5]([C:6]([C:4](=[O:3])[H:9])([H:12])[H:13])([H:10])[H:11])[H:8])\[H:7],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C4H7NO/c5-3-1-2-4-6/h3-5H,1-2H2/b5-3+",76.4947,-15.877720000000002,
3408,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1)([H:7])([H:8])[H:9].[C:6]([H:15])([H:16])([H:17])[H:18],"InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C5H8.CH4/c1-5-3-2-4-5;/h5H,2-3H2,1H3;1H4/t5-;/m0./s1",95.18706,86.98468000000001,
3409,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3][H:12])([C:5]([C:4]([H:11])([H:13])[H:14])([C:6]([H:16])([H:17])[H:18])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C6H12/c1-5(2)6(3)4/h1,5-6H,2-4H3/t5-/m1/s1",83.1364,78.58856999999999,
3410,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4]([H:13])([H:14])[H:15])([H:11])[H:12])([C:5][C:6]([H:16])([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C6H12/c1-4-6(3)5-2/h6H,4H2,1-3H3/t6-/m0/s1",80.86802,67.48066,
3411,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4][H:14])([H:11])[H:12])([C:5]([C:6]([H:16])([H:17])[H:18])([H:13])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C6H12/c1-4-6(3)5-2/h1,6H,4-5H2,2-3H3/t6-/m0/s1",83.72709,80.68889,
3412,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([C:6]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14],"InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/2C3H6/c2*1-3-2/h2*3H,1H2,2H3",100.71207,17.55015,
3413,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([C:5][C:6]([H:16])([H:17])[H:18])([H:13])[H:14])([H:11])[H:12])([H:10])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C6H12/c1-3-5-6-4-2/h3,5-6H2,1-2H3",78.65541,65.34841999999999,
3414,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])[H:10])([H:8])[H:9].[H:7][H:11],"InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C6H10.H2/c1-3-6-4-5(6)2;/h3,5-6H,1,4H2,2H3;1H/t5-,6-;/m1./s1",112.94527,30.48698,
3415,[o:1]1[n:2][c:3]([H:6])[c:4]([H:7])[n:5]1,[C:4](#[N:5])[H:7].[O-:1][N+:2]#[C:3][H:6],InChI=1S/C2H2N2O/c1-2-4-5-3-1/h1-2H,InChI=1S/CHNO.CHN/c1-2-3;1-2/h1H;1H,54.51675,22.59393,
3416,[o:1]1[n:2][c:3]([H:6])[c:4]([H:7])[n:5]1,[C:3](#[C:4][H:7])[H:6].[O+:1](=[N-:2])[N:5],InChI=1S/C2H2N2O/c1-2-4-5-3-1/h1-2H,InChI=1S/C2H2.N2O/c1-2;1-3-2/h1-2H;,158.28658000000001,147.11225,
3417,[o:1]1[n:2][c:3]([H:6])[c:4]([H:7])[n:5]1,[O:1]=[N:5][C@:4]1([H:7])[N:2]=[C:3]1[H:6],InChI=1S/C2H2N2O/c1-2-4-5-3-1/h1-2H,InChI=1S/C2H2N2O/c5-4-2-1-3-2/h1-2H/t2-/m0/s1,161.43148,42.47862,ketoenol
3418,[o:1]1[n:2][c:3]([H:6])[c:4]([H:7])[n:5]1,[O:1]=[N:2][C:3](=[C:4]=[N:5][H:7])[H:6],InChI=1S/C2H2N2O/c1-2-4-5-3-1/h1-2H,InChI=1S/C2H2N2O/c3-1-2-4-5/h2-3H,72.1618,21.46731,
3419,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]1[O:3][O:6][C:5]([H:7])([H:11])[N:4]1[H:10])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5NO2/c1-3-4-2-5-6-3/h4H,1-2H2",140.59813,95.88642,
3420,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])/[C:2](=[N:4]/[H:10])[O:3]1.[C:5](=[O:6])([H:7])[H:11],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C2H3NO.CH2O/c3-2-1-4-2;1-2/h3H,1H2;1H2/b3-2-;",108.03581000000001,76.07239,
3421,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][C:5](=[O:6])[H:11])=[N:4]\[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3+",41.52272,18.9583,ketoenol
3422,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:8])[H:9].[N:4](=[C:5](\[O:6][H:7])[H:11])\[H:10],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C2H2O.CH3NO/c1-2-3;2-1-3/h1H2;1H,(H2,2,3)",72.74382,43.69685,Retroene
3423,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[O:6]/[C:5](=[N:4]/[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5NO2/c1-3(5)6-2-4/h2,4H,1H3/b4-2+",42.73363,18.94464,ketoenol
3424,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:7])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2,6H,1H2,(H,4,5)",65.92461,20.883,ketoenol
3425,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]1[O:3][C@@:5]([O:6][H:7])([H:11])[N:4]1[H:10])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5NO2/c1-2-4-3(5)6-2/h3-5H,1H2/t3-/m0/s1",93.06585,45.72659,
3426,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])/[C:2](=[N:4]/[C:5](=[O:6])[H:11])[O:3]1.[H:7][H:10],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H3NO2.H2/c5-2-4-3-1-6-3;/h2H,1H2;1H/b4-3-;",111.50058,76.5328,
3427,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[N+:4](=[C-:5][O:6][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5NO2/c1-3(6)4-2-5/h4-5H,1H3",77.41516999999999,42.39123,
3428,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](/[C:2]([O:3][H:11])=[N:4]\[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C2H5NO.CO/c1-2(3)4;1-2/h1H3,(H2,3,4);",44.143809999999995,15.59772,
3429,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:11])([H:7])([H:8])[H:9].[N:4](=[C:5]=[O:6])[H:10],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2H,1H3;2H",71.83341,18.77747,
3430,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([O+:3]=[C-:2][N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5NO2/c1-6-3-4-2-5/h2H,1H3,(H,4,5)",108.19084,57.682880000000004,
3431,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])/[N:4]=[C:5](/[O:6][H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)",44.39151,12.61841,ketoenol
3432,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:2]#[O+:3].[C:1]([O:6]/[C:5](=[N:4]\[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C2H5NO.CO/c1-4-2-3;1-2/h2-3H,1H3;/b3-2-;",122.99006000000001,35.50112,
3433,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N+:1]1([H:7])([H:8])[C:2](=[O:3])[C:6]([H:12])([H:13])[C:5]([H:10])([H:11])[C-:4]1[H:9],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h3H,1-2,5H2",87.81465,67.04741999999999,
3434,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[H:7][H:9].[N:1](=[C:2]1\[O:3][C:4]12[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13])\[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H5NO.H2/c5-3-4(6-3)1-2-4;/h5H,1-2H2;1H/b5-3-;",110.49051000000001,75.01141,
3435,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]([C:6]([C:5]([C:4](=[C:2]=[O:3])[H:9])([H:10])[H:11])([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c5-3-1-2-4-6/h2H,1,3,5H2",79.32684,19.78331,
3436,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]([C+:2]([O:3][H:12])[C@:4]1([H:9])[C:5]([H:10])([H:11])[C-:6]1[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h1,3,6H,2,5H2/t3-/m0/s1",99.37092,82.14738,
3437,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1](=[C:2](/[O:3][H:8])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])\[H:7],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)",43.639790000000005,12.16763,ketoenol
3438,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1](=[C:2]1\[O:3][C@:4]1([C:6]([C:5]([H:7])([H:10])[H:11])([H:12])[H:13])[H:9])\[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c1-2-3-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1",73.084,31.3398,
3439,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]([C:2]1=[C:4]([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[O:3]1)([H:7])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h2H,1,3,5H2",65.81642,13.1131,ketoenol
3440,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]([C:2]([O:3][H:9])=[C:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h6H,1-2,5H2",69.03734,34.82958,ketoenol
3441,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[C:2](=[O:3])=[C:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13].[N:1]([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)",InChI=1S/C4H4O.H3N/c5-3-4-1-2-4;/h1-2H2;1H3,80.2213,46.62535,"1,3_NH3_elimination"
3442,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]([C-:2]=[O+:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h4H,1-2,5H2",110.61027,54.683069999999994,
3443,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]([C:2]([O-:3])=[C+:4][C:6]([C:5]([H:9])([H:10])[H:11])([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c1-2-3-4(5)6/h2,5H2,1H3",69.47483000000001,66.15614000000001,
3444,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[C-:2]#[O+:3].[N:1]([C:6]([C:4](=[C:5]([H:10])[H:11])[H:9])([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C3H7N.CO/c1-2-3-4;1-2/h2H,1,3-4H2;",109.60803999999999,23.89286,
3445,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[C:2](#[O+:3])[C@:4]1([H:9])[C-:5]([H:10])[C:6]1([H:12])[H:13].[N:1]([H:7])([H:8])[H:11],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H4O.H3N/c5-3-4-1-2-4;/h1,4H,2H2;1H3/t4-;/m1./s1",105.83753999999999,94.69474,
3446,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4]([C:5]([H:15])([H:16])[H:17])(=[C:6]([H:19])[H:20])[H:14].[H:12][H:18],"InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3","InChI=1S/2C3H6.H2/c2*1-3-2;/h2*3H,1H2,2H3;1H",95.87253,50.727990000000005,
3447,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2][C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])([H:7])([H:8])[H:9].[C:3]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3","InChI=1S/C5H10.CH4/c1-4-5(2)3;/h5H,1-3H3;1H4",92.61913,87.94953000000001,
3448,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])([H:7])[H:8].[H:9][H:10],"InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3","InChI=1S/C6H12.H2/c1-5(2)6(3)4;/h6H,1H2,2-4H3;1H",108.79126000000001,27.72905,
3449,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:11],[C:1]1([H:8])=[C:3]([H:11])[C:2]1([H:9])[H:10].[C:4](=[C:5]([H:13])[H:14])([C:6]([H:7])([H:15])[H:16])[H:12],"InChI=1S/C6H10/c1-2-5(1)6-3-4-6/h5-6H,1-4H2","InChI=1S/C3H4.C3H6/c1-2-3-1;1-3-2/h1-2H,3H2;3H,1H2,2H3",100.87727,41.35556,
3450,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:11],[C:1](=[C:3]([C:2]([C:5]([C:4](=[C:6]([H:15])[H:16])[H:12])([H:13])[H:14])([H:9])[H:10])[H:11])([H:7])[H:8],"InChI=1S/C6H10/c1-2-5(1)6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2",116.30429,-9.540239999999999,
3451,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([H:11])[H:12].[C:4]1[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C6H10/c1-2-5(1)6-3-4-6/h5-6H,1-4H2",InChI=1S/C3H6.C3H4/c2*1-2-3-1/h1-3H2;1-2H2,98.38046999999999,93.38025,
3452,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:11],[C:1]([C:2]([H:9])([H:10])[H:11])([C:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])[H:8],"InChI=1S/C6H10/c1-2-5(1)6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10/c1-2-3-6-4-5-6/h6H,2,4-5H2,1H3",64.53367,56.3772,
3453,[N:1]([C:2](=[O:3])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]([C:5]([C:6]([N:4]=[C:2]=[O:3])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)","InChI=1S/C3H6N2O/c4-1-2-5-3-6/h1-2,4H2",71.28915,-10.45321,
3454,[N:1]([C:2](=[O:3])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1](=[C:2](/[O:3][H:7])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])\[H:8],"InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)","InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)",46.43736,14.55442,ketoenol
3455,[N:1]([C:2](=[O:3])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]([C:2]1=[N:4][C:5]([H:9])([H:10])[C:6]([H:11])([H:12])[O:3]1)([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)","InChI=1S/C3H6N2O/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)",51.16008,-8.99054,ketoenol
3456,[N:1]([C:2](=[O:3])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1](/[C:2]([O:3][H:12])=[N:4]/[C:6](=[C:5]([H:9])[H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)","InChI=1S/C3H6N2O/c1-2-5-3(4)6/h2H,1H2,(H3,4,5,6)",63.10491,-5.00652,
3457,[N:1]([C:2](=[O:3])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]([C:2](=[O:3])[N+:4]([C-:5]([H:9])[H:10])=[C:6]([H:11])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)","InChI=1S/C3H6N2O/c1-5(2)3(4)6/h1-2H2,(H2,4,6)",48.66317,33.33781,
3458,[N:1]([C:2](=[O:3])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]([C:2](=[O:3])[N+:4]1([H:12])[C:5]([H:9])([H:10])[C-:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)","InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1,5H,2H2,(H2,4,6)",68.52134000000001,59.203869999999995,
3459,[N:1]([C:2](=[O:3])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[H:7][H:10].[N:1](=[C:2]=[O:3])[H:8].[N:4]1=[C:5]([H:9])[C:6]1([H:11])[H:12],"InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)","InChI=1S/C2H3N.CHNO.H2/c1-2-3-1;2-1-3;/h1H,2H2;2H;1H",94.38902,51.74436,
3460,[N:1]([C:2](=[O:3])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:6]([N:4]=[C:5]([H:9])[H:10])([H:11])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)","InChI=1S/C3H6N2O/c1-5-2-3(4)6/h1-2H2,(H2,4,6)",78.66753,-8.19539,
3461,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[C:3](=[O:4])([H:10])[H:11].[N:1]([C:2](=[C:5]=[N:6][H:12])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C2H4N2.CH2O/c3-1-2-4;1-2/h1,4H,3H2;1H2",62.4263,33.34126,2+2_cycloaddition
3462,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[C:5]=[N:6][H:12].[N:1]([C:2]([C:3](=[O:4])[H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C2H5NO.CHN/c3-1-2-4;1-2/h2H,1,3H2;2H",70.91960999999999,22.67245,
3463,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[N:1]([C@@:2]1([H:9])[C-:3]([H:10])[O+:4]=[C:5]1[N:6]([H:11])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h1-2H,4-5H2/t2-/m0/s1",100.20111999999999,61.328109999999995,
3464,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[N:1]([N:6]([C:5]1=[C:2]([H:9])[C:3]([H:10])([H:11])[O:4]1)[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H6N2O/c4-5-3-1-2-6-3/h1,5H,2,4H2",109.93072,42.78973,
3465,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[H:8][H:11].[N:1](=[C:2]1/[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:12])\[H:7],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H4N2O.H2/c4-2-1-6-3(2)5;/h4-5H,1H2;1H/b4-2-,5-3-;",110.33077,24.66362,
3466,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[N:1]([C:2](=[C:3]([H:10])[H:11])[H:9])([H:7])[H:8].[O:4]=[C:5]=[N:6][H:12],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C2H5N.CHNO/c1-2-3;2-1-3/h2H,1,3H2;2H",52.323370000000004,-13.711479999999998,2+2_cycloaddition
3467,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1",64.97596,-10.19913,
3468,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[N:1]([C:2](/[C:5]([O+:4]=[C-:3][H:10])=[N:6]/[H:12])([H:9])[H:11])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H6N2O/c1-6-3(5)2-4/h1,5H,2,4H2/b5-3-",79.01015,55.693369999999994,
3469,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[N+:1]1([H:7])([H:8])[C-:2]([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H6N2O/c4-3-5-1-2-6-3/h1,4H,2,5H2/b4-3-",65.42978000000001,52.21195,
3470,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[N+:1]([C-:2]1[C:3]([H:10])([H:11])[O:4][C:5]1=[N:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h5H,1H2,4H3",74.27221,53.1051,
3471,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[N:1]([C:2]/[C:5]([O:4][C:3]([H:9])([H:10])[H:11])=[N:6]/[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H6N2O/c1-6-3(5)2-4/h5H,4H2,1H3/b5-3-",58.57395,33.36993,
3472,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[N:1](=[C:2](\[C:3]([O:4]/[C:5](=[N:6]\[H:12])[H:7])([H:10])[H:11])[H:9])\[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H6N2O/c4-1-2-6-3-5/h1,3-5H,2H2/b4-1-,5-3-",96.48491,5.08908,
3473,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[H:7][H:12].[N:1](=[C:2](\[C:3]([O:4][C:5]#[N:6])([H:10])[H:11])[H:9])\[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H4N2O.H2/c4-1-2-6-3-5;/h1,4H,2H2;1H/b4-1-;",94.08581,32.56858,
3474,[C:1](#[C:2][H:5])[C:3]#[N:4],[C-:1]=[C:2]([N+:4]#[C:3])[H:5],InChI=1S/C3HN/c1-2-3-4/h1H,InChI=1S/C3HN/c1-3-4-2/h3H,96.61133000000001,80.01369,
3475,[C:1](#[C:2][H:5])[C:3]#[N:4],[C:1]=[C:2]([C:3]#[N:4])[H:5],InChI=1S/C3HN/c1-2-3-4/h1H,InChI=1S/C3HN/c1-2-3-4/h2H,54.381780000000006,52.45312,Singlet_Carbene_Intra_Disproportionation
3476,[C:1](#[C:2][H:5])[C:3]#[N:4],[C:1](#[C-:2])[C+:3]=[N:4][H:5],InChI=1S/C3HN/c1-2-3-4/h1H,InChI=1S/C3HN/c1-2-3-4/h4H,109.88565,51.85263,
3477,[C:1](#[C:2][H:5])[C:3]#[N:4],[C:1](#[C:2][H:5])[N+:4]#[C-:3],InChI=1S/C3HN/c1-2-3-4/h1H,InChI=1S/C3HN/c1-3-4-2/h1H,62.85191999999999,26.54815,
3478,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([C:5]([H:15])([H:16])[H:17])([H:12])[H:14])=[O:6])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:18],"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3","InChI=1S/C5H10O.H2/c1-3-5(6)4-2;/h3-4H2,1-2H3;1H",105.87895,15.24306,
3479,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9].[C:3]([C:4]([H:12])([H:13])[H:14])[O:6][H:18],"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3","InChI=1S/C3H8.C2H4O/c1-3-2;1-2-3/h3H2,1-2H3;3H,1H3",139.74972,67.66185,
3480,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9].[C:3]([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17],"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3","InChI=1S/C3H6.C2H6O/c1-3-2;1-2-3/h1-2H3;3H,2H2,1H3",122.17733999999999,95.38803,
3481,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:4]([H:12])([H:13])[H:14])[O:6][H:18])[H:11])([H:7])([H:8])[H:9].[C:5]([H:10])([H:15])([H:16])[H:17],"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3","InChI=1S/C4H8O.CH4/c1-3-4(2)5;/h3,5H,1-2H3;1H4/b4-3-;",104.28649,13.164279999999998,
3482,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:5]([H:15])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([H:12])([H:13])([H:14])[H:16],"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3","InChI=1S/C4H8O.CH4/c1-3-4(2)5;/h5H,2-3H2,1H3;1H4",105.32864,16.549039999999998,
3483,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])=[O:6].[H:9][H:18],"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3",InChI=1S/C3H6O.C2H4.H2/c1-3(2)4;1-2;/h1-2H3;1-2H2;1H,84.75885,38.728229999999996,
3484,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:6][H:18])([H:7])([H:8])[H:9].[C:2](=[C:3]([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17])([H:10])[H:11],"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3","InChI=1S/C4H8.CH4O/c1-4(2)3;1-2/h1H2,2-3H3;2H,1H3",115.63447,26.310059999999996,"1,3_Insertion_ROR"
3485,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([O:5][H:15])([H:13])[H:14])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]([H:10])[H:12])[C:4]([O:5][H:15])([H:13])[H:14])([H:6])([H:7])[H:9].[H:8][H:11],"InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3","InChI=1S/C4H8O.H2/c1-4(2)3-5;/h5H,1,3H2,2H3;1H",115.32521000000001,29.62578,
3486,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([O:5][H:15])([H:13])[H:14])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4](=[O:5])[H:14])[H:13])([H:6])([H:7])[H:8].[H:9][H:15],"InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3","InChI=1S/C4H8O.H2/c1-4(2)3-5;/h3-4H,1-2H3;1H",89.27726,16.64716,
3487,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([O:5][H:15])([H:13])[H:14])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]([H:13])[H:14])([H:6])([H:7])[H:8].[O:5]([H:9])[H:15],"InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3","InChI=1S/C4H8.H2O/c1-4(2)3;/h1H2,2-3H3;1H2",68.85781,7.484660000000001,"1,3_Insertion_ROR"
3488,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([O:5][H:15])([H:13])[H:14])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:4](=[O:5])[H:13])([H:9])[H:14])([H:6])([H:7])[H:8].[C:3]([H:10])([H:11])([H:12])[H:15],"InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3","InChI=1S/C3H6O.CH4/c1-2-3-4;/h3H,2H2,1H3;1H4",91.76473,5.64916,
3489,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[C@:4]1([H:11])[O:5]2,[C:1]1([H:6])([H:7])[C@:2]([C:3]([C:4][H:11])([H:9])[H:10])([H:8])[O:5]1,"InChI=1S/C4H6O/c1-3-2-4(1)5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c1-2-4-3-5-4/h1,4H,2-3H2/t4-/m1/s1",91.1759,60.533069999999995,
3490,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[C@:4]1([H:11])[O:5]2,[C:1](=[C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[H:8])([H:6])[H:7],"InChI=1S/C4H6O/c1-3-2-4(1)5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c1-2-3-4-5/h2,4H,1,3H2",37.48809,-46.19716,
3491,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[C@:4]1([H:11])[O:5]2,[C:1]1([H:6])([H:7])[C:2]([H:8])=[C:3]([H:10])[C@@:4]1([O:5][H:9])[H:11],"InChI=1S/C4H6O/c1-3-2-4(1)5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c5-4-2-1-3-4/h1-2,4-5H,3H2/t4-/m0/s1",70.51510999999999,-29.27416,
3492,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[C@:4]1([H:11])[O:5]2,[C:1]([C@:4]1([H:11])[C:3]([H:9])([H:10])[C-:2]=[O+:5]1)([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-2-4(1)5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c1-4-2-3-5-4/h4H,2H2,1H3/t4-/m1/s1",65.34546,7.36522,
3493,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[O:1]([C:4]([C:3]([C:2](=[C:6]([H:11])[H:12])[H:8])([H:9])[H:10])=[O:5])[H:7],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2","InChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)",73.47917,-20.43336,
3494,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[C:3]1([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12].[O:1]([C:2][H:8])[H:7],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2",InChI=1S/C3H4O.CH2O/c4-3-1-2-3;1-2/h1-2H2;1-2H,121.72445,96.48583,
3495,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[C:3](=[C:4]=[O:5])([H:9])[H:10].[O:1]([C:2](=[C:6]([H:11])[H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2","InChI=1S/C2H4O.C2H2O/c2*1-2-3/h2-3H,1H2;1H2",47.111309999999996,17.33492,
3496,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[O:1]=[C:2]([C:6]([C:4]([C:3]([H:7])([H:9])[H:10])=[O:5])([H:11])[H:12])[H:8],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2","InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3",74.34366,-12.47311,
3497,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[O:1]([C:2]([C:3]([C:4]([O-:5])=[C+:6][H:12])([H:9])[H:10])([H:8])[H:11])[H:7],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2","InChI=1S/C4H6O2/c1-4(6)2-3-5/h1,5H,2-3H2",77.46224000000001,57.15561999999999,
3498,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2",InChI=1S/C4H4O2.H2/c5-3-1-4(6)2-3;/h1-2H2;1H,85.0529,15.92736,
3499,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([O:5][H:11])=[C:6]1[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2","InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h1,3,5-6H,2H2/t3-/m1/s1",78.16454,14.407729999999999,ketoenol
3500,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[O:1]([C:2][C:3]([C:4](=[O:5])[C:6]([H:8])([H:11])[H:12])([H:9])[H:10])[H:7],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2","InChI=1S/C4H6O2/c1-4(6)2-3-5/h5H,2H2,1H3",65.8992,37.734809999999996,
3501,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[H:8][H:11].[O:1]([C:2]1=[C:6]([H:12])[C:4](=[O:5])[C:3]1([H:9])[H:10])[H:7],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2","InChI=1S/C4H4O2.H2/c5-3-1-4(6)2-3;/h1,5H,2H2;1H",91.81938000000001,21.61554,
3502,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[O:1]=[C:2]([C:3]([C:4]([O:5][H:7])=[C:6]([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2","InChI=1S/C4H6O2/c1-4(6)2-3-5/h3,6H,1-2H2",38.361309999999996,-2.2420400000000003,
3503,[c:1]1([H:7])[n:2][n:3][n:4][n:5][c:6]1[H:8],[C@@:1]1([N:2]=[N+:3]=[N-:4])([H:7])[N:5]=[C:6]1[H:8],InChI=1S/C2H2N4/c1-2-4-6-5-3-1/h1-2H,InChI=1S/C2H2N4/c3-6-5-2-1-4-2/h1-2H/t2-/m0/s1,56.5129,14.37987,
3504,[c:1]1([H:7])[n:2][n:3][n:4][n:5][c:6]1[H:8],[C:1]([N:2]=[N-:3])(=[C:6]([N+:5]#[N:4])[H:8])[H:7],InChI=1S/C2H2N4/c1-2-4-6-5-3-1/h1-2H,InChI=1S/C2H2N4/c3-5-1-2-6-4/h1-2H,24.77732,2.30737,
3505,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]=[C:6]1[H:14])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1","InChI=1S/C6H8/c1-6-4-2-3-5-6/h2,5-6H,4H2,1H3/t6-/m0/s1",77.3092,34.361090000000004,
3506,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1=[C:5]=[C:6]([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1","InChI=1S/C6H8/c1-3-6-4-5(6)2/h5H,1,4H2,2H3/t5-/m0/s1",91.02362,6.78206,
3507,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:5](=[C-:6][H:14])[C+:4]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1","InChI=1S/C6H8/c1-5-3-6(2)4-5/h1,3,6H,4H2,2H3/t6-/m1/s1",70.88439,61.41729,
3508,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]=[C:6]1[H:14],"InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-4-6-5-3-1/h1,5H,2,4,6H2",80.56652,8.06177,
3509,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C-:4]=[C:5]=[C+:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1","InChI=1S/C6H8/c1-4-5-6(2)3/h1,6H,2-3H3",65.16741,57.94418,
3510,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4]1=[C:5](\[C:6][H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1","InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,3,5H,4H2,2H3/b6-3+/t5-/m0/s1",88.34475,68.61121999999999,
3511,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([C:4](=[C:5]=[C:6]([H:8])[H:14])[H:13])([H:11])[H:12])[H:10])([H:7])[H:9],"InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1","InChI=1S/C6H8/c1-3-5-6-4-2/h3,6H,1-2,5H2",41.11149,-3.53456,
3512,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([C:4]1([H:13])[C:5]([H:8])=[C:6]1[H:14])([H:11])[H:12])[H:10])([H:7])[H:9],"InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-3-6-4-5-6/h2,4-6H,1,3H2",84.63771,17.81822,
3513,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([O:2][H:15])([H:7])([H:8])[H:9].[C:3](=[N:4][C:5]([H:10])([H:11])[H:12])=[C:6]([H:13])[H:14],InChI=1S/C4H9NO/c1-4(5-2)6-3/h1-3H3/b5-4+,"InChI=1S/C3H5N.CH4O/c1-3-4-2;1-2/h1H2,2H3;2H,1H3",76.58298,33.76382,
3514,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([N:4]=[C:5]([H:10])[H:11])=[C:6]([H:13])[H:14])([H:7])([H:8])[H:9].[H:12][H:15],InChI=1S/C4H9NO/c1-4(5-2)6-3/h1-3H3/b5-4+,"InChI=1S/C4H7NO.H2/c1-4(5-2)6-3;/h1-2H2,3H3;1H",69.88821999999999,42.63896,
3515,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[O:2]=[C:3]([N:4]=[C:5]([H:10])[H:11])[C:6]([H:13])([H:14])[H:15],InChI=1S/C4H9NO/c1-4(5-2)6-3/h1-3H3/b5-4+,"InChI=1S/C3H5NO.CH4/c1-3(5)4-2;/h2H2,1H3;1H4",73.54101999999999,1.3971799999999999,
3516,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([N:4]([C:3](=[O:2])[C:6]([H:13])([H:14])[H:15])[C:5]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],InChI=1S/C4H9NO/c1-4(5-2)6-3/h1-3H3/b5-4+,InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3,55.481759999999994,-15.996960000000001,ketoenol
3517,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C:3]([N:4]([C-:5]([H:10])[H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],InChI=1S/C4H9NO/c1-4(5-2)6-3/h1-3H3/b5-4+,"InChI=1S/C4H9NO/c1-4(5-2)6-3/h5H,2H2,1,3H3",78.74469,53.55522,
3518,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([N:4]([C:5]([H:10])([H:11])[H:12])[H:15])=[C:6]([H:13])[H:14])([H:7])([H:8])[H:9],InChI=1S/C4H9NO/c1-4(5-2)6-3/h1-3H3/b5-4+,"InChI=1S/C4H9NO/c1-4(5-2)6-3/h5H,1H2,2-3H3",67.10477,15.961470000000002,
3519,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([O:2][C:5]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:3](#[N:4])[C:6]([H:13])([H:14])[H:15],InChI=1S/C4H9NO/c1-4(5-2)6-3/h1-3H3/b5-4+,InChI=1S/C2H3N.C2H6O/c1-2-3;1-3-2/h1H3;1-2H3,97.05982,11.736139999999999,
3520,[C:1]([O:2][C:3]([C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][H:10])([H:7])([H:8])[H:9].[C:4](=[O:5])([N:6]([H:12])[H:13])[H:11],"InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C2H4O.CH3NO/c1-3-2;2-1-3/h1H,2H3;1H,(H2,2,3)",89.13761,75.85515,
3521,[C:1]([O:2][C:3]([C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:4](=[O:5])=[N:6][H:13],"InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)",InChI=1S/C2H6O.CHNO/c1-3-2;2-1-3/h1-2H3;2H,88.48465999999999,14.66156,
3522,[C:1]([O:2][C:3]([C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:4](/[O:5][H:11])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2,5H,4H2,1H3/b3-2+",65.15156999999999,26.101860000000002,ketoenol
3523,[C:1]([O:2][C:3]([C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]([O-:5])[N+:6]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2,5H,4H2,1H3",81.78430999999999,48.257670000000005,
3524,[C:1]([O:2][C:3]([C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](/[C:4]([O:5][H:12])=[N:6]\[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)",45.505359999999996,12.099269999999999,ketoenol
3525,[C:1]([O:2][C:3]([C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C@:3]1([H:10])/[C:4](=[N:6]/[H:12])[O:5]1)([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H5NO2.H2/c1-5-3-2(4)6-3;/h3-4H,1H3;1H/b4-2-;/t3-;/m0./s1",91.3663,62.58619,
3526,[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10])[H:6],[O:1]([C:2][C:3]([C:4]([O:5][H:11])([H:7])[H:10])([H:8])[H:9])[H:6],"InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+","InChI=1S/C3H6O2/c4-2-1-3-5/h4-5H,1-2H2",54.28731,32.2104,
3527,[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10])[H:6],[C:4]([O:5][H:11])[H:10].[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[H:6],"InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+","InChI=1S/C2H4O.CH2O/c1-2-3;1-2/h2-3H,1H2;1-2H",56.27049,59.4733,
3528,[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10])[H:6],[O:1]([C:2]([C:3]([C:4](=[O:5])[H:10])([H:8])[H:9])([H:6])[H:7])[H:11],"InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+","InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2",69.51705,-19.70109,
3529,[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10])[H:6],[O:1]([C@@:2]([C:3]([H:8])([H:9])[H:10])([C:4][O:5][H:11])[H:7])[H:6],"InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+","InChI=1S/C3H6O2/c1-3(5)2-4/h3-5H,1H3/t3-/m0/s1",57.20156,29.490159999999996,
3530,[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10])[H:6],[H:6][H:7].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10],"InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+","InChI=1S/C3H4O2.H2/c4-2-1-3(2)5;/h2,4H,1H2;1H/t2-;/m1./s1",90.40194,31.16909,
3531,[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10])[H:6],[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C:4]1)[H:6].[O:5]([H:10])[H:11],"InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+","InChI=1S/C3H4O.H2O/c4-3-1-2-3;/h3-4H,1H2;1H2/t3-;/m0./s1",83.03177,20.788320000000002,
3532,[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10])[H:6],[O:1]([C:2]1([H:7])[C:3]([H:9])=[C:4]1[H:10])[H:6].[O:5]([H:8])[H:11],"InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+",InChI=1S/C3H4O.H2O/c4-3-1-2-3;/h1-4H;1H2,71.78027,31.343759999999996,
3533,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[C:6]([H:18])([H:19])[H:20])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:4]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[C:3]([C:5]([H:15])([H:16])[H:17])[C:6]([H:18])([H:19])[H:20],"InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3","InChI=1S/C3H8.C3H6/c2*1-3-2/h3H2,1-2H3;1-2H3",145.49174,90.48113000000001,
3534,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:10])([H:11])[C@:3]2([H:12])[C:4]([H:13])([H:14])[C@:5]12[H:15].[O:6]([H:9])[H:16],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8.H2O/c1-2-5-3-4(1)5;/h4-5H,1-3H2;1H2/t4-,5+;",113.03513999999998,17.31843,
3535,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5][O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h5-6H,3H2,1-2H3/t5-/m1/s1",56.88754,35.52262,
3536,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3]1([H:12])=[C:4]([H:13])[C:5]1([O:6][H:16])[H:15].[H:9][H:14],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1",InChI=1S/C3H4O.C2H4.H2/c4-3-1-2-3;1-2;/h1-4H;1-2H2;1H,110.03076999999999,74.69681,
3537,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:4]([C:5]([O:6][H:16])([H:12])[H:15])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,2,4-5H2,1H3",69.1419,59.93826,
3538,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])=[C:5]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[O:6]([H:14])[H:16],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8.H2O/c1-2-5-3-4-5;/h3-5H,2H2,1H3;1H2",79.88101,35.97445,
3539,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([C:5][O:6][H:16])([H:13])[H:14])([H:12])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,2-4H2,1H3",55.072990000000004,34.48157,
3540,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4]([C:5][H:15])([H:13])[H:14])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-3-5(6)4-2/h1,5-6H,3-4H2,2H3/t5-/m1/s1",99.89204000000001,76.46194,
3541,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])[H:11],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C4H6O.CH4/c1-3-2-4(3)5;/h1,3-5H,2H2;1H4/t3-,4+;/m0./s1",92.44258,87.94826,
3542,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C@@:5]12[H:15])([H:7])([H:8])[H:9].[O:6]([H:10])[H:16],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8.H2O/c1-3-4-2-5(3)4;/h3-5H,2H2,1H3;1H2/t3-,4+,5-;",105.96144,27.81267,
3543,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](/[C:4](=[C:5](/[O:6][H:16])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-2-3-4-5-6/h4-6H,2-3H2,1H3/b5-4+",68.98111999999999,-8.38308,
3544,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:16].[C:2](=[C:3]([C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])[H:12])([H:10])[H:11],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C4H6O.CH4/c1-2-3-4-5;/h2,4H,1,3H2;1H4",69.89725,1.7483799999999998,
3545,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:4]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[O:3]([N+:6]#[C-:5])[H:11],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6.CHNO/c1-3-2;1-2-3/h3H,1H2,2H3;3H",114.36935,91.87747,
3546,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@:2]([O:3][H:11])([H:10])[C:4]([H:12])([H:13])[C:5][N:6]1[H:8],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c6-4-1-2-5-3-4/h4-6H,1,3H2/t4-/m0/s1",97.22086999999999,45.16114,
3547,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4]([N+:6]#[C-:5])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-4(6)3-5-2/h4,6H,3H2,1H3/t4-/m1/s1",60.53856999999999,23.170070000000003,
3548,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([O:3][H:11])[C:4]([C:5]#[N:6])([H:12])[H:13],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H3NO.CH4/c4-2-1-3-5;/h5H,1H2;1H4",87.76385,68.62664000000001,
3549,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([O:3][H:11])([H:10])[C:4]([H:12])([H:13])/[C:5]1=[N:6]\[H:8],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c5-3-1-4(6)2-3/h4-6H,1-2H2/b5-3-",101.77573000000001,22.02759,
3550,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[N:6][H:11])([H:12])[H:13],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C2H3N.C2H4O/c2*1-2-3/h3H,1H2;2H,1H3",46.60024,33.91749,Retroene
3551,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:11])=[C:4]([H:12])[H:13])([H:7])([H:8])[H:9].[C:5]=[N:6][H:10],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CHN/c1-3(2)4;1-2/h4H,1H2,2H3;2H",101.98928000000001,39.58027,
3552,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([O:3][H:11])([H:7])([H:8])[H:9].[C:2]([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H3N.CH4O/c1-2-3-4;1-2/h1H,2H2;2H,1H3",128.23193999999998,109.80758,
3553,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:12])[H:13])([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO.H2/c1-4(6)2-3-5;/h2H2,1H3;1H",83.98056,15.786470000000001,
3554,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:6][C:5]([C:4][H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h2H,3-5H2,1H3",113.61357,82.07197,
3555,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[C:4](/[C:5]([O:6][H:12])([H:15])[H:16])[H:14])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3+",60.41973,-9.90992,
3556,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C-:4]=[O+:6][C:5]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-4-5-6-2/h3-4H2,1-2H3",74.5541,36.916959999999996,
3557,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[C:4]([C:5]([H:10])([H:15])[H:16])(=[O:6])[H:14],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2H,1H3",74.44584,-2.24587,
3558,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4][C:5]([O:6][H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,2-3,5H2,1H3",71.54481,67.49438,
3559,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[O+:6][C-:5]([H:15])[H:16])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-4-5-6-2/h5H,2-4H2,1H3",66.53121,53.245380000000004,
3560,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:6][C:5]([C:4](=[C:3]([H:12])[H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3",98.15184,-0.65685,
3561,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:4](=[C:3]([H:12])[H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:15])[H:16],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3H,1,4H2,2H3;1H2",89.23266,7.53446,
3562,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C@@:4]([C:5][H:15])([O:6][H:16])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-4-5(2)6/h2,5-6H,3-4H2,1H3/t5-/m1/s1",71.709,68.0218,
3563,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([O+:6]=[C-:5][H:15])([H:14])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-4-5-6-2/h2H,3-5H2,1H3",77.39958,47.53526,
3564,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][C:4]([C:5](=[O:6])[H:13])([H:11])[H:12])[H:10])([H:7])[H:8].[H:9][H:14],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c1-2-6-4-3-5;/h2-3H,1,4H2;1H",74.1116,19.290570000000002,
3565,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][C:4]([H:11])([H:12])[H:14])([C:5](=[O:6])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m1/s1",77.08211,-6.666980000000001,
3566,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])[H:8].[H:9][H:10],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c1-3-4(5)2-6-3;/h4-5H,1-2H2;1H/t4-;/m1./s1",106.36271,26.04656,
3567,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C@:5]([C:4]([O:3][H:14])([H:11])[H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1",70.21814,-0.7318899999999999,
3568,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:5]([C:4]([O+:3]=[C-:2][H:10])([H:11])[H:12])([O:6][H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h2,4-5H,3H2,1H3/t4-/m0/s1",118.8258,46.197359999999996,
3569,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:14])([C@@:5]1([H:13])[C:4]([H:11])([H:12])[O:6]1)[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1",77.54592,0.5374399999999999,
3570,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C@@:5]([C:4][H:12])([O:6][H:14])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3(5)4(2)6/h1,3-6H,2H3/t3-,4-/m1/s1",74.27973,67.70062,
3571,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:12])=[C:5]1[O:6][H:14])([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c1-3-4(5)2-6-3;/h2-3,5H,1H3;1H/t3-;/m1./s1",121.93431000000001,34.51709,
3572,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C-:2]1=[O+:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C3H4O2.CH4/c4-3-1-5-2-3;/h3-4H,1H2;1H4/t3-;/m1./s1",87.80632,61.88264,
3573,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:13])([H:11])[H:12])([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3",77.81621,-7.54065,
3574,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:3][C:4]([C:5]([O:6][H:14])([H:10])[H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h5H,3-4H2,1H3",96.33010999999999,35.70409,
3575,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C-:2]1([H:10])[O+:3]=[C:4]([H:12])[C:5]1([O:6][H:14])[H:13].[C:1]([H:7])([H:8])([H:9])[H:11],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1",InChI=1S/C3H4O2.CH4/c4-3-1-5-2-3;/h1-4H;1H4,96.69236,81.66306999999999,
3576,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O+:3]=[C-:4][C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c1-3-4(5)2-6-3;/h3-5H,1H3;1H/t3-,4-;/m1./s1",85.10775,68.87411999999999,
3577,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:5](\[O:6][H:14])[H:13])[H:10])([H:7])([H:8])[H:9].[O:3]=[C:4]([H:11])[H:12],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2-4H,1H3;1H2/b3-2-;",64.62077,6.5887899999999995,2+2_cycloaddition
3578,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O+:3]=[C-:4][H:12])([C:5]([O:6][H:14])([H:11])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h2,4-5H,3H2,1H3/t4-/m1/s1",82.82745,48.18595,
3579,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:14])[H:13])([H:11])[H:12],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/2C2H4O/c2*1-2-3/h2H,1H3;2-3H,1H2",65.83359,-1.5397,2+2_cycloaddition
3580,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@:5]1([O:6][H:14])[O:3][C:4]1([H:11])[H:12])[H:10])([H:7])[H:8].[H:9][H:13],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c1-2-4(5)3-6-4;/h2,5H,1,3H2;1H/t4-;/m0./s1",121.16221999999999,26.77672,
3581,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:5]([C:4]([O:3][H:10])([H:11])[H:12])([O:6][H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-2-4(6)3-5/h4-6H,3H2,1H3/t4-/m0/s1",72.1024,60.532059999999994,
3582,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1](=[C:6]([C:5]([O:4][C:3](=[C:2]([H:9])[H:10])[H:11])([H:12])[H:13])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-3-5-6-4-2/h3-4H,1-2,5H2",78.48789000000001,-7.05905,
3583,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]([C:2]([C@@:3]1([H:11])[O:4][C:5]([H:12])([H:13])[C:6]1)([H:9])[H:10])([H:7])([H:8])[H:14],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h5H,2,4H2,1H3/t5-/m1/s1",76.07481999999999,61.90611,
3584,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3][C@:6]1([C:5]([O:4][H:11])([H:12])[H:13])[H:14],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h5-6H,1-2,4H2/t5-/m0/s1",73.03276,52.06231,
3585,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]([C:6](=[C:5]([H:12])[H:13])[H:14])([H:11])[O:4]1,"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h2,5H,1,3-4H2/t5-/m0/s1",108.25084,-5.22454,
3586,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C@:1]12([H:7])[C:2]([H:9])([H:10])[C@@:3]13[O:4][C:5]([H:12])([H:13])[C@@:6]23[H:14].[H:8][H:11],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H6O.H2/c1-3-4-2-6-5(1,3)4;/h3-4H,1-2H2;1H/t3-,4+,5-;/m1./s1",109.02233999999999,90.60762,
3587,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:14])[O:4][C:5]([H:12])([H:13])[C:6]1,"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2,4-5H2",72.14745,43.38474,
3588,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O+:4]=[C-:5][C@@:6]12[H:14].[H:12][H:13],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H6O.H2/c1-2-5-4(1)3-6-5;/h4-5H,1-2H2;1H/t4-,5-;/m1./s1",87.61594000000001,66.94266999999999,
3589,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([O+:4]=[C-:5][H:12])([H:11])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-6-5-3-2-4-5/h1,5H,2-4H2",84.99034,45.474,
3590,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]([C:2]([H:9])([H:10])[H:12])([C:6]1([H:14])[C-:3]([H:11])[O+:4]=[C:5]1[H:13])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h3-5H,2H2,1H3",83.32356999999999,52.60114,
3591,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]([C@@:6]1([H:14])[C@:3]([C:2]([H:7])([H:9])[H:10])([H:11])[O:4][C:5]1([H:12])[H:13])[H:8],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h1,4-5H,3H2,2H3/t4-,5-/m1/s1",80.5592,72.93073000000001,
3592,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]([C:2]([H:9])([H:10])[H:11])([C@@:6]1([H:14])[C-:3]=[O+:4][C:5]1([H:12])[H:13])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h5H,2-3H2,1H3/t5-/m1/s1",69.49488000000001,33.68542,
3593,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C-:3]=[O+:4][C:5]([H:12])([H:13])[C:6]1([H:11])[H:14],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1",InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-4H2,72.4444,18.60567,
3594,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:6]1[C:5]([O:4][H:14])([H:12])[H:13],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h2,6H,1,3-4H2",113.35663000000001,-8.04755,
3595,[C:1]([N:2]([C:3]([H:9])([H:10])[H:11])[C:4](=[O:5])[H:12])([H:6])([H:7])[H:8],[C:1]([O:5]/[C:4](=[N:2]/[C:3]([H:9])([H:10])[H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3","InChI=1S/C3H7NO/c1-4-3-5-2/h3H,1-2H3/b4-3+",76.26876,16.88968,ketoenol
3596,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]2([C:3]1([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16].[O:4]([H:9])[H:12],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3",InChI=1S/C5H8.H2O/c1-2-5(1)3-4-5;/h1-4H2;1H2,100.56175999999999,24.66807,
3597,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:5]([C:6]([C:2][C:3]([O:4][H:12])([H:10])[H:11])([H:15])[H:16])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,2-3,5H2,1H3",103.78357,73.87623,
3598,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:15])[C:5]1([H:13])[H:14])([H:7])([H:8])[H:9].[C:3](=[O:4])([H:10])[H:11].[H:12][H:16],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3","InChI=1S/C4H6.CH2O.H2/c1-4-2-3-4;1-2;/h2H,3H2,1H3;1H2;1H",101.11834,69.75595,
3599,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[C:3]([H:10])[H:11],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3","InChI=1S/C4H8O.CH2/c1-4(5)2-3-4;/h5H,2-3H2,1H3;1H2",130.27005,112.27147,
3600,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([O:4][H:12])([H:10])[H:11])[H:9])([H:7])[H:8].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h2,4H,1,3H2;1-2H2",111.31206999999999,23.77828,
3601,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3](=[O:4])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3","InChI=1S/C5H8O.H2/c1-5(4-6)2-3-5;/h4H,2-3H2,1H3;1H",87.04919,15.367970000000001,
3602,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2][C:6]([C:5]([C:3]([O:4][H:12])([H:10])[H:11])([H:13])[H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,3-5H2,1H3",101.34068,69.44208,
3603,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:11])[C:5]([C:6]([O:4][H:12])([H:15])[H:16])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3","InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3",86.42671,-4.61797,
3604,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N:1](=[C-:2][C@@:3]1([H:6])[C+:4]([H:8])[N:5]1[H:9])[H:7],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1",InChI=1S/C3H4N2/c4-1-3-2-5-3/h2-5H/t3-/m0/s1,138.27311,87.2875,
3605,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N:1]1([H:8])[C:2][C@@:3]2([H:6])[C@:4]1([H:7])[N:5]2[H:9],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1","InChI=1S/C3H4N2/c1-2-3(4-1)5-2/h2-5H/t2-,3-/m0/s1",124.80691999999999,75.08378,
3606,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N:1]#[C:2][C:3]([N:5]([C:4][H:7])[H:9])([H:6])[H:8],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1","InChI=1S/C3H4N2/c1-5-3-2-4/h1,5H,3H2",76.86654,32.404790000000006,
3607,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N-:1]=[C:2]=[C:3]([N:5]([C+:4]([H:7])[H:8])[H:9])[H:6],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1","InChI=1S/C3H4N2/c1-5-3-2-4/h3,5H,1H2",44.4468,16.52995,
3608,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N:1]#[C:2][C-:3]1[C:4]([H:7])([H:8])[N+:5]1([H:6])[H:9],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1","InChI=1S/C3H4N2/c4-1-3-2-5-3/h2,5H2",60.651509999999995,42.56876,
3609,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N:1](=[C:2]=[C:3]1[C:4]([H:7])([H:8])[N:5]1[H:9])[H:6],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1","InChI=1S/C3H4N2/c4-1-3-2-5-3/h4-5H,2H2",104.91654,35.66118,
3610,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N:1]#[C:2][C@@:3]1([H:6])[C-:4]([H:8])[N+:5]1([H:7])[H:9],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1","InChI=1S/C3H4N2/c4-1-3-2-5-3/h2-3H,5H2/t3-/m0/s1",67.85889,53.960269999999994,
3611,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N-:1]=[C:2]=[C+:3][N:5]([C:4]([H:6])([H:7])[H:8])[H:9],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1","InChI=1S/C3H4N2/c1-5-3-2-4/h5H,1H3",73.7932,19.09873,
3612,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N+:1](#[C-:2])[C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1","InChI=1S/C3H4N2/c1-4-3-2-5-3/h3,5H,2H2/t3-/m1/s1",59.787690000000005,21.42386,
3613,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:4]([H:12])([H:13])/[C:5]1=[C:6](/[O:3][H:11])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-4,6H,2H2,1H3/b5-3-/t4-/m1/s1",76.23068,4.27845,
3614,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[C:6]([H:11])[H:14])([H:12])[H:13],"InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C3H4.C2H4O/c1-3-2;1-2-3/h1-2H2;2H,1H3",41.706109999999995,10.66985,Retroene
3615,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:5](=[C:6]([H:11])[H:14])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-4-3-5(2)6-4/h5H,1,3H2,2H3/t5-/m1/s1",73.05713,-9.20685,
3616,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])[H:9].[O:3]([H:8])[H:11],"InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6.H2O/c1-3-5-4-2;/h1,4H,2,5H2;1H2",68.59218,16.7098,"1,3_Insertion_ROR"
3617,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4](=[C:5]=[C:6]([H:12])[H:14])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h4-6H,1H2,2H3/t5-/m1/s1",81.08957,0.044969999999999996,
3618,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([O:3][H:11])[C:4]([C:5]#[C:6][H:14])([H:12])[H:13],"InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C4H4O.CH4/c1-2-3-4-5;/h1,5H,3H2;1H4",87.23891,63.518480000000004,
3619,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])(/[C:4](=[C:5](/[C:6][H:14])[H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h1,3-6H,2H3/b4-3+/t5-/m1/s1",79.99084,61.59231,
3620,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1](#[C:2][C:4](=[C:3]([H:8])[H:9])[H:10])[H:7].[C:5](=[O:6])([H:11])[H:12],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C4H4.CH2O/c1-3-4-2;1-2/h1,4H,2H2;1H2",83.96653,6.47251,
3621,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1](=[C:2])([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h2,5H,3-4H2/t5-/m0/s1",59.639480000000006,50.13332,Singlet_Carbene_Intra_Disproportionation
3622,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1](#[C:2]/[C:3](=[C:4](/[C:5]([O:6][H:8])([H:11])[H:12])[H:10])[H:9])[H:7],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h1,3-4,6H,5H2/b4-3+",58.10116,-11.37981,
3623,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1]1([H:7])=[C:2]2[C:3]([H:8])([H:9])[C@:4]12[H:10].[C:5](=[O:6])([H:11])[H:12],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C4H4.CH2O/c1-3-2-4(1)3;1-2/h1,3H,2H2;1H2/t3-;/m0./s1",77.97123,52.50226,
3624,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1](#[C:2][C:3]([C-:4]=[O+:6][C:5]([H:10])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-3-4-5-6-2/h1H,4H2,2H3",75.52416,38.821870000000004,
3625,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1](#[C:2][C:3]([C:4]([O+:6]=[C-:5][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-3-4-5-6-2/h1-2H,4-5H2",77.91881,47.83723,
3626,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1](/[C:2](=[C:3](\[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9])[H:8])[H:7],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1-3,5H,4H2/b3-2-/t5-/m0/s1",77.80683,59.27871999999999,
3627,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1](=[C:2]=[C:3]([H:8])[H:9])([C:5]([C:4](=[O:6])[H:10])([H:11])[H:12])[H:7],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h3,5H,1,4H2",62.85252,-22.473979999999997,
3628,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1]1([H:7])=[C-:2][C:3]([H:8])([H:9])[C:4]([H:10])=[O+:6][C:5]1([H:11])[H:12],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-4-6-5-3-1/h2,5H,3-4H2",88.98733,37.04652,
3629,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]([N:2]=[C:3]=[C:6]([C:5]([C:4]([H:8])([H:9])[H:12])([H:10])[H:11])[H:13])[H:7],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H7NO/c1-2-3-4-5-6/h3,6H,2H2,1H3",92.50779,10.79149,
3630,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1](/[N:2]=[C:3](\[C:4][H:8])[C:6]([C:5]([H:9])([H:10])[H:11])([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H7NO/c1-3-4(2)5-6/h2,6H,3H2,1H3/b5-4+",77.5466,74.79871999999999,
3631,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]([N:2]1[C@@:3]2([C:4]([H:8])([H:9])[H:11])[C@:5]1([H:10])[C:6]2([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H7NO/c1-4-2-3(4)5(4)6/h3,6H,2H2,1H3/t3-,4+,5?/m0/s1",83.01015,40.05604,
3632,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[H:7][H:10].[O:1]=[N:2][C:3]12[C:4]([H:8])([H:9])[C:5]1([H:11])[C:6]2([H:12])[H:13],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H5NO.H2/c6-5-4-1-3(4)2-4;/h3H,1-2H2;1H",109.19118999999999,59.58999,
3633,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1](/[N:2]=[C:3](\[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H7NO/c6-5-3-4-1-2-4/h3-4,6H,1-2H2/b5-3-",87.17228,3.07269,
3634,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O-:1][N:2]([C+:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h5H,1-3H2",53.668580000000006,16.46303,
3635,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]=[N:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h4H,1-3H2",75.80464,14.65235,ketoenol
3636,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[H:7][H:9].[O:1]=[N:2][C:3]1=[C:4]([H:8])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H5NO.H2/c6-5-4-2-1-3-4;/h2H,1,3H2;1H",75.35976,48.61655,
3637,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]([C:4]([C:5]([C:6]([C:3]#[N:2])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2",87.75780999999999,-43.32104,
3638,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]([N:2]([C:3]1=[C:4]([H:8])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:9])[H:7],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h2,5-6H,1,3H2",85.1995,16.13946,
3639,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]([N:2]1[C:3](=[C:4]([H:8])[H:9])[C:6]([H:12])([H:13])[C:5]1([H:10])[H:11])[H:7],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H7NO/c1-4-2-3-5(4)6/h6H,1-3H2",78.42758,13.641379999999998,
3640,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1](/[N:2]=[C:3](\[C:4]([C:5][H:11])([H:8])[H:9])[C:6]([H:10])([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H7NO/c1-3-4(2)5-6/h1,6H,3H2,2H3/b5-4-",82.56172,72.69769000000001,
3641,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]([C:3]([C@@:4]1([H:9])[N:5]=[C:6]1[H:11])([H:7])[H:8])[H:10],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-2-1-4-3-5-4/h2-4H,1H2/t4-/m1/s1",84.48598,9.77421,
3642,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O-:1][C:2]1=[C:6]2[C@@:4]([H:9])([C:3]1([H:7])[H:8])[N+:5]2([H:10])[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,5-6H,1H2/t2-/m1/s1",64.23,51.68399,
3643,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[N+:5]2([H:10])[C-:4]([H:9])[C@:6]12[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h1,3,5H,2H2/t3-/m1/s1",110.79438999999999,58.31378,
3644,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[H:7][H:11].[O-:1][C:2]1=[C:3]([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C+:6]12,"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H3NO.H2/c6-3-1-2-4(3)5-2;/h1-2,5H;1H/t2-;/m1./s1",124.19091,86.46852,
3645,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[C:3](=[C:4](/[C:6](=[N:5]\[H:10])[H:11])[H:9])([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C3H5N.CO/c1-2-3-4;1-2/h2-4H,1H2;/b4-3-;",73.72421,-15.432939999999999,
3646,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]([C:2]1=[C:6]2[C@@:4]([H:9])([C:3]1([H:7])[H:8])[N:5]2[H:10])[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,5-6H,1H2/t2-/m1/s1",80.42132,57.59554,ketoenol
3647,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]([C+:2]1[C:3]([H:7])([H:8])[C-:4]2[N:5]([H:10])[C@@:6]12[H:11])[H:9],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h4-6H,1H2/t4-/m1/s1",96.66799999999999,59.02863000000001,
3648,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]=[C:6]([N:5]([C:4](=[C:3]([H:7])[H:8])[H:9])[H:10])[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c1-2-5-3-4-6/h2-3,5H,1H2",29.386309999999998,-5.33076,
3649,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4][N:5]([H:10])[C:6]1([H:9])[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h5H,1,3H2",63.172819999999994,1.6927900000000002,
3650,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C-:4]2[N+:5]([H:9])([H:10])[C@@:6]12[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h4H,1,5H2/t4-/m1/s1",63.59568,51.461040000000004,
3651,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]([C:2]1=[C:3]([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11])[H:7],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h1-2,4-6H/t2-,4-/m1/s1",77.96616,26.294040000000003,ketoenol
3652,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O-:1][C:2]1=[C+:6][N:5]([H:10])[C:4]([H:9])([H:11])[C:3]1([H:7])[H:8],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h5H,1-2H2",69.43239,4.3158900000000004,
3653,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]=[C:6]([C@@:4]1([H:9])[C:3]([H:7])([H:8])[N:5]1[H:10])[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-2-1-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1",89.30119,-1.03045,
3654,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O-:1][C:2](=[C+:3][H:8])[C@@:6]1([H:11])[C:4]([H:7])([H:9])[N:5]1[H:10],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c1-3(6)4-2-5-4/h1,4-5H,2H2/t4-/m1/s1",79.88799,70.06496,
3655,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]([C:3]([H:7])([H:8])[H:9])[C@@:6]1([H:11])[C:4][N:5]1[H:10],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c1-3(6)4-2-5-4/h4-5H,1H3/t4-/m1/s1",67.5805,29.59672,
3656,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]([C@@:2]12[C:3]([H:7])([H:8])[C@@:4]3([H:9])[N:5]1[C@@:6]23[H:11])[H:10],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-4-1-2-3(4)5(2)4/h2-3,6H,1H2/t2-,3-,4-,5?/m1/s1",81.28969000000001,31.097540000000002,
3657,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N+:5]1([H:10])[C-:6]2[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-4-1-3-2-5(3)4/h2-3,5H,1H2/t3-/m1/s1",54.96977,49.97331,
3658,[C:1]([C:2](/[C:3](=[N:4]\[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2](=[C:3]([N:4]=[O:5])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11],"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-","InChI=1S/C3H5NO.CH4/c1-3(2)4-5;/h1H2,2H3;1H4",76.78185,33.83307,
3659,[C:1]([C:2](/[C:3](=[N:4]\[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C+:3]([N:4]([O-:5])[H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO/c1-3-4(2)5-6/h5H,3H2,1-2H3",51.55467,13.85242,
3660,[C:1]([C:2](/[C:3](=[N:4]\[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([N:4]([O:5][H:12])[H:15])=[C:6]([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO/c1-3-4(2)5-6/h5-6H,2-3H2,1H3",64.75301999999999,17.14925,
3661,[C:1]([C:2](/[C:3](=[N:4]\[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@:3]([N:4]=[O:5])([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO/c1-3-4(2)5-6/h4H,3H2,1-2H3/t4-/m1/s1",79.78086,16.99256,ketoenol
3662,[C:1]([C:2](/[C:3](=[N:4]\[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3](=[N:4]\[O:5][H:12])(\[C:6]([H:13])([H:14])[H:15])[H:7],"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-","InChI=1S/C2H5NO.C2H4/c1-2-3-4;1-2/h2,4H,1H3;1-2H2/b3-2-;",97.80214000000001,27.32045,
3663,[C:1]([C:2](/[C:3](=[N:4]\[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([N:4]([C:3](=[C:2]([H:10])[H:11])[C:6]([H:13])([H:14])[H:15])[O:5][H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO/c1-4(2)5(3)6/h6H,1H2,2-3H3",98.44006999999999,19.99166,
3664,[C:1]([C:2](/[C:3](=[N:4]\[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:15])([H:7])([H:8])[H:9].[C:3](=[N:4][O:5][H:12])=[C:6]([H:13])[H:14],"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-","InChI=1S/C2H3NO.C2H6/c1-2-3-4;1-2/h4H,1H2;1-2H3",113.12055,38.50093,
3665,[C:1]([C:2](/[C:3](=[N:4]\[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[N:4]([O:5][H:12])[H:10])[C:6]([H:13])([H:14])[H:15])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO/c1-3-4(2)5-6/h3,5-6H,1-2H3/b4-3-",86.82594,14.922529999999998,
3666,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C:5]([C:4]([C:2][O:3][H:9])([H:10])[H:11])([H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3","InChI=1S/C4H8O/c1-2-3-4-5/h5H,2-3H2,1H3",93.80511,37.5936,
3667,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C:2]1=[C:4]([H:10])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8].[O:3]([H:9])[H:11],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3","InChI=1S/C4H6.H2O/c1-4-2-3-4;/h2H,3H2,1H3;1H2",78.73957,34.83612,
3668,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1](=[C:2]1[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])[H:7].[O:3]([H:8])[H:9],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3",InChI=1S/C4H6.H2O/c1-4-2-3-4;/h1-3H2;1H2,74.1734,23.245739999999998,"1,3_Insertion_ROR"
3669,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C:2][C:4]([C:5]([O:3][H:9])([H:12])[H:13])([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3","InChI=1S/C4H8O/c1-2-3-4-5/h5H,3-4H2,1H3",104.98195,63.25557,
3670,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([O:3][H:9])([H:6])([H:7])[H:8].[C:2]1[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3","InChI=1S/C3H4.CH4O/c1-2-3-1;1-2/h1-2H2;2H,1H3",128.12957,99.43726,
3671,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:9].[C:2]1(=[O:3])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3",InChI=1S/C3H4O.CH4/c4-3-1-2-3;/h1-2H2;1H4,90.99746999999999,19.76875,
3672,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:12].[C:2]1([O:3][H:9])=[C:5]([H:13])[C:4]1([H:10])[H:11],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3","InChI=1S/C3H4O.CH4/c4-3-1-2-3;/h1,4H,2H2;1H4",120.03993,42.5975,
3673,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1](/[C:2]([O:3][H:9])=[C:5](/[C:4]([H:10])([H:11])[H:13])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3","InChI=1S/C4H8O/c1-3-4(2)5/h3,5H,1-2H3/b4-3-",64.35828000000001,-12.175419999999999,
3674,[N:1]([c:2]1[c:3]([H:9])[o:4][n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]#[C:3][H:9])([H:7])[H:8].[O-:4][N+:5]#[C:6][H:10],"InChI=1S/C3H4N2O/c4-3-1-5-6-2-3/h1-2H,4H2","InChI=1S/C2H3N.CHNO/c2*1-2-3/h1H,3H2;1H",96.9711,72.72849000000001,
3675,[N:1]([c:2]1[c:3]([H:9])[o:4][n:5][c:6]1[H:10])([H:7])[H:8],[N-:1]([C:2]1=[C:3]([H:9])[O+:4]=[N:5][C:6]1([H:7])[H:10])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-6-2-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-5-6-2-3/h2,4H,1H2",106.62868999999999,54.58745,
3676,[N:1]([c:2]1[c:3]([H:9])[o:4][n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]([C:3](=[O:4])[H:9])=[C:6]=[N:5][H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-6-2-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-1-3(5)2-6/h2,4H,5H2",58.335930000000005,-2.60232,
3677,[N:1]([c:2]1[c:3]([H:9])[o:4][n:5][c:6]1[H:10])([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][N:5]=[C:6]1[H:10])\[H:7],"InChI=1S/C3H4N2O/c4-3-1-5-6-2-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-5-6-2-3/h1,4H,2H2/b4-3+",82.76295999999999,13.514489999999999,
3678,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1]1([H:7])([H:9])[C:2]([H:8])=[N+:3]=[C-:4][N:5]=[C:6]1[H:10],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h2-3H,1H2",99.96274,78.12642,
3679,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1]1([H:7])=[C:2]([H:8])[N:3]([H:9])[C-:4]=[N+:5]=[C:6]1[H:10],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-3,5H",88.75131999999999,50.26684,
3680,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1]1=[C:2]=[N:3][C:4]([H:9])=[N:5][C:6]=1[H:10].[H:7][H:8],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H2N2.H2/c1-2-5-4-6-3-1;/h2,4H;1H",120.1108,95.95133,
3681,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1]1([H:7])=[C:6]=[N:5][C:4]([H:9])=[N:3][C:2]1([H:8])[H:10],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1,4H,2H2",119.36401000000001,69.17385999999999,
3682,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n+:5]([H:10])[c-:6]1,InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-2,4,6H",84.81045,43.0437,
3683,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C+:1]1=[C:2]([H:8])[N-:3][C:4]([H:7])([H:9])[N:5]=[C:6]1[H:10],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h2-3H,4H2",119.89471999999999,100.09348,
3684,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1]1([H:7])=[C:6]([H:10])/[C:4](=[N:5]/[H:9])[N:3]=[C:2]1[H:8],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c5-4-2-1-3-6-4/h1-3,5H/b5-4-",150.6035,23.01055,
3685,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1]1([H:7])=[C:6]([H:10])[N:5]([H:8])[C:4]([H:9])=[N+:3]=[C-:2]1,InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-2,4-5H",122.586,67.75068,
3686,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1]12([H:7])[C:2]([H:8])=[N:3][C:4]1([H:9])[N:5]=[C:6]2[H:10],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,InChI=1S/C4H4N2/c1-3-2-6-4(3)5-1/h1-4H,83.1594,70.86421,
3687,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1]1([H:7])=[C:2]([H:8])[N:3]2[C:4]([H:9])=[N:5][C@:6]12[H:10],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,InChI=1S/C4H4N2/c1-2-6-3-5-4(1)6/h1-4H/t4-/m0/s1,97.72436,76.16275999999999,
3688,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1](#[C:2][H:8])[H:7].[N:3]#[C:4][H:9].[N:5]#[C:6][H:10],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,InChI=1S/C2H2.2CHN/c3*1-2/h1-2H;2*1H,129.46098,74.46548,
3689,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C@@:1]12([H:7])[C@@:2]3([H:8])[N:3]1[C:4]([H:9])=[N:5][C@@:6]23[H:10],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c1-5-2-3-4(2)6(1)3/h1-4H/t2-,3+,4-,6?",100.19523000000001,77.91826,
3690,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]1[C@@:6]23[H:13],[C:1](=[C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[N:5]=[C:6]1[H:13])[H:9])([H:7])[H:8],"InChI=1S/C5H7N/c1-3-4-2-6(1)5(3)4/h3-5H,1-2H2/t3-,4+,5-","InChI=1S/C5H7N/c1-2-5-3-6-4-5/h2-3,5H,1,4H2/t5-/m1/s1",50.92511,-28.458909999999996,
3691,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]1[C@@:6]23[H:13],[C:1](=[N+:5]1[C:4]([H:11])([H:12])[C@:3]2([H:10])[C-:2]([H:9])[C@@:6]21[H:13])([H:7])[H:8],"InChI=1S/C5H7N/c1-3-4-2-6(1)5(3)4/h3-5H,1-2H2/t3-,4+,5-","InChI=1S/C5H7N/c1-6-3-4-2-5(4)6/h2,4-5H,1,3H2/t4-,5-/m0/s1",62.905080000000005,53.20531,
3692,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]1[C@@:6]23[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]([H:10])([C:4]([H:11])([H:12])[N:5]1[H:13])[C:6]2,"InChI=1S/C5H7N/c1-3-4-2-6(1)5(3)4/h3-5H,1-2H2/t3-,4+,5-","InChI=1S/C5H7N/c1-4-2-6-3-5(1)4/h4-6H,2-3H2/t4-,5+",58.63351,32.326029999999996,
3693,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]1[C@@:6]23[H:13],[C:1]1([H:7])([H:8])[C:2]2([H:9])[C:3][C:4]([H:11])([H:12])[N:5]1[C:6]2([H:10])[H:13],"InChI=1S/C5H7N/c1-3-4-2-6(1)5(3)4/h3-5H,1-2H2/t3-,4+,5-","InChI=1S/C5H7N/c1-2-6-3-5(1)4-6/h5H,2-4H2",59.69195,43.57318,
3694,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]1[C@@:6]23[H:13],[C:1]1([H:7])([H:8])[C:2][C@@:6]2([H:13])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[N:5]12,"InChI=1S/C5H7N/c1-3-4-2-6(1)5(3)4/h3-5H,1-2H2/t3-,4+,5-","InChI=1S/C5H7N/c1-3-6-4-2-5(1)6/h5H,1,3-4H2/t5-/m1/s1",58.884130000000006,54.93988,
3695,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]1[C@@:6]23[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:6]([H:13])[C@@:3]2([H:10])[C:4]([H:11])([H:12])[N:5]12,"InChI=1S/C5H7N/c1-3-4-2-6(1)5(3)4/h3-5H,1-2H2/t3-,4+,5-","InChI=1S/C5H7N/c1-2-5-4-6(5)3-1/h1-2,5H,3-4H2/t5-,6?/m0/s1",58.13097,-35.29815,
3696,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[N:4]([C-:5]=[N+:6]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3(6)5-2-4/h4H2,1H3,(H,5,6)",79.80309,24.09075,
3697,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([O+:3]=[C-:2][N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-6-3-5-2-4/h2H,1H3,(H2,4,5)",108.32246,57.20425,
3698,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:12])=[N:4]\[H:10])([H:7])([H:8])[H:9].[C:5](#[N:6])[H:11],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H5NO.CHN/c1-2(3)4;1-2/h1H3,(H2,3,4);1H",40.426970000000004,21.15878,Retroene
3699,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:2]#[O+:3].[C:1]([N:6](/[C:5](=[N:4]\[H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H6N2.CO/c1-4-2-3;1-2/h2H,1H3,(H2,3,4);",119.46292,23.108829999999998,"1,2_Insertion_CO"
3700,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3]/[C:5](=[N:6]/[H:12])[H:11])=[N:4]\[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3(5)6-2-4/h2,4-5H,1H3/b4-2+,5-3+",58.23582,19.01234,ketoenol
3701,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:8])[H:9].[H:7][H:11].[N:4](=[C:5]=[N:6][H:12])[H:10],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)",InChI=1S/C2H2O.CH2N2.H2/c1-2-3;2-1-3;/h1H2;2-3H;1H,103.22981999999999,55.36707,
3702,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])/[N:4]=[C:5](/[N:6]([H:10])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)",42.7138,1.81465,
3703,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:7])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2,6H,1H2,(H2,4,5)",65.35826,22.80453,ketoenol
3704,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])/[C:2](=[N:4]/[C:5](=[N:6]/[H:12])[H:11])[O:3]1.[H:7][H:10],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H4N2O.H2/c4-2-5-3-1-6-3;/h2,4H,1H2;1H/b4-2+,5-3-;",112.19485,77.10595,
3705,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C+:2]([N:3]([O-:4])[H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C3H7NO2/c1-3(2-5)4-6/h4-5H,2H2,1H3",50.74836,11.831489999999999,
3706,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]#[N:3])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:11])[H:12].[O:4]([H:10])[H:13],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-",InChI=1S/C2H3N.CH2O.H2O/c1-2-3;1-2;/h1H3;1H2;1H2,48.92706,-15.53946,
3707,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]=[O:4])=[C:5]([H:11])[H:12])([H:7])([H:8])[H:9].[O:6]([H:10])[H:13],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C3H5NO.H2O/c1-3(2)4-5;/h1H2,2H3;1H2",48.22139,25.415979999999998,
3708,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C@:2]([N:3]=[O:4])([C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C3H7NO2/c1-3(2-5)4-6/h3,5H,2H2,1H3/t3-/m0/s1",77.38296,15.620439999999999,ketoenol
3709,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2]([N:3]([O:4][H:10])[H:12])=[C:5](/[O:6][H:13])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C3H7NO2/c1-3(2-5)4-6/h2,4-6H,1H3/b3-2-",77.06345999999999,11.18024,
3710,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]([O:4][H:10])[H:8])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])[H:9],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C3H7NO2/c1-3(2-5)4-6/h4-6H,1-2H2",64.82327,15.85537,
3711,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]\[O:4][H:10])[H:13])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:11])[H:12],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C2H5NO.CH2O/c1-2-3-4;1-2/h2,4H,1H3;1H2/b3-2-;",92.61933,18.2286,
3712,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]=[N:3][O:4][H:10])([H:7])[H:9].[C:5](=[O:6])([H:11])[H:12].[H:8][H:13],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C2H3NO.CH2O.H2/c1-2-3-4;1-2;/h4H,1H2;1H2;1H",104.59523,63.464,
3713,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[O:4][H:10])[O:6][H:13])([H:7])([H:8])[H:9].[C:5]([H:11])[H:12],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C2H5NO2.CH2/c1-2(4)3-5;/h5H,1H3,(H,3,4);1H2",93.76482,98.05851,
3714,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]#[N+:3][O-:4])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:11])[H:12].[H:10][H:13],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-",InChI=1S/C2H3NO.CH2O.H2/c1-2-3-4;1-2;/h1H3;1H2;1H,109.36958,52.927769999999995,
3715,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C@:2]1([N:3]([O:4][H:10])[H:13])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C3H7NO2/c1-3(4-5)2-6-3/h4-5H,2H2,1H3/t3-/m1/s1",72.60033,23.21969,
3716,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]([N:3])([O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C3H7NO2/c1-3(4,6)2-5/h5-6H,2H2,1H3/t3-/m1/s1",69.62248000000001,62.006930000000004,
3717,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])[H:9].[H:8][H:10],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C3H5NO2.H2/c1-3(2-5)4-6;/h5H,1-2H2;1H",105.06922,43.87818,
3718,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C:4]([O:5][H:12])=[C:6]([H:10])[H:11])([H:7])([H:8])[H:9],InChI=1S/C5H6O/c1-3-4-5(2)6/h1-2H3,"InChI=1S/C5H6O/c1-3-4-5(2)6/h6H,2H2,1H3",65.33289,11.08433,ketoenol
3719,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C@:2]12[C:3][C@@:4]1([C:6]([H:10])([H:11])[H:12])[O:5]2)([H:7])([H:8])[H:9],InChI=1S/C5H6O/c1-3-4-5(2)6/h1-2H3,"InChI=1S/C5H6O/c1-4-3-5(4,2)6-4/h1-2H3/t4-,5+",68.96346,72.24141999999999,
3720,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]1[O:5][C:6]1([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],InChI=1S/C5H6O/c1-3-4-5(2)6/h1-2H3,"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h2H,4H2,1H3",99.9839,38.64975,
3721,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:8])=[C:3]1[C:4](=[O:5])[C:6]([H:10])([H:11])[H:12],InChI=1S/C5H6O/c1-3-4-5(2)6/h1-2H3,"InChI=1S/C5H6O/c1-4(6)5-2-3-5/h2H,3H2,1H3",61.07646999999999,22.30198,
3722,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]([C+:3]=[C:4]([O-:5])[C:6]([H:10])([H:11])[H:12])[H:8])([H:7])[H:9],InChI=1S/C5H6O/c1-3-4-5(2)6/h1-2H3,"InChI=1S/C5H6O/c1-3-4-5(2)6/h3H,1H2,2H3",74.54413000000001,52.07887,
3723,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],InChI=1S/C5H6O/c1-3-4-5(2)6/h1-2H3,InChI=1S/C5H6O/c1-5(2)3-4-6/h1-2H3,93.6881,3.27889,
3724,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]=[C:4]([O:5][H:8])[C:6]([H:10])([H:11])[H:12])([H:7])[H:9],InChI=1S/C5H6O/c1-3-4-5(2)6/h1-2H3,"InChI=1S/C5H6O/c1-3-4-5(2)6/h6H,1H2,2H3",58.616609999999994,18.058529999999998,
3725,[o:1]1[n:2][c:3]([H:6])[n:4][n:5]1,[N:4]#[N:5].[O-:1][N+:2]#[C:3][H:6],InChI=1S/CHN3O/c1-2-4-5-3-1/h1H,InChI=1S/CHNO.N2/c1-2-3;1-2/h1H;,17.45665,-26.02345,
3726,[o:1]1[n:2][c:3]([H:6])[n:4][n:5]1,[O:1]=[N:5][N:4]=[C:3]=[N:2][H:6],InChI=1S/CHN3O/c1-2-4-5-3-1/h1H,InChI=1S/CHN3O/c2-1-3-4-5/h2H,68.77936,8.86738,
3727,[C:1]([C:2]#[C:3][C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h6H,4-5H2,1H3","InChI=1S/C6H8/c1-5(2)6-3-4-6/h6H,3-4H2,1H3",57.25066999999999,53.55004,
3728,[C:1]([C:2]#[C:3][C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C-:3][C:6]([H:13])([H:14])[C:5]([H:11])([H:12])[C+:4]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h6H,4-5H2,1H3","InChI=1S/C6H8/c1-6-4-2-3-5-6/h4H,2-3H2,1H3",65.92598000000001,28.49683,
3729,[C:1]([C:2]#[C:3][C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C-:2]=[C:3]1[C+:4]([H:10])[C:6]([H:13])([H:14])[C:5]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h6H,4-5H2,1H3","InChI=1S/C6H8/c1-2-6-4-3-5-6/h4H,3,5H2,1H3",72.87264,57.64034,
3730,[C:1]([C:2]#[C:3][C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C+:1]([C:2](=[C-:3][C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h6H,4-5H2,1H3","InChI=1S/C6H8/c1-2-3-6-4-5-6/h2,6H,1,4-5H2",80.30509,52.600880000000004,
3731,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]1=[C:6]([H:12])[H:13].[C:4](=[O:5])([H:10])[H:11],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C3H5N.CH2O/c1-3-2-4-3;1-2/h4H,1-2H2;1H2",70.46916999999999,12.49717,2+2_cycloaddition
3732,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C:1]([N:2]=[C:3]1[C:4]([H:10])([H:11])[O:5][C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C4H7NO/c1-5-4-2-6-3-4/h2-3H2,1H3",60.5303,-14.044039999999999,
3733,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C-:1]([N:2]([C+:3]1[C:4]([H:10])([H:11])[O:5][C:6]1([H:12])[H:13])[H:9])([H:7])[H:8],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C4H7NO/c1-5-4-2-6-3-4/h5H,1-3H2",51.44207,30.36236,
3734,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C:6]([O+:5]=[C-:4][H:10])([H:12])[H:13])[H:11],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C4H7NO/c1-6-3-4-2-5-4/h1,4-5H,2-3H2/t4-/m1/s1",84.42126999999999,48.64012,
3735,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C:1](=[N:2][H:9])([H:7])[H:8].[C:3]1([H:11])=[C:4]([H:10])[O:5][C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C3H4O.CH3N/c1-2-4-3-1;1-2/h1-2H,3H2;2H,1H2",90.17845,12.89513,
3736,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C:1]([N:2]([C:3]1([H:8])[C:4]([H:10])([H:11])[O:5][C:6]1([H:12])[H:13])[H:9])[H:7],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C4H7NO/c1-5-4-2-6-3-4/h1,4-5H,2-3H2",72.13475,28.97113,
3737,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C-:1]1([H:8])[N+:2]([H:7])([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h1H,2-3,5H2",64.55995,51.47983,
3738,[C:1]([C@@:2]([N:3]([H:10])[H:11])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:8])[C@:2]([N:3]([H:10])[H:11])([H:9])/[C:4]1=[N:5]/[H:7],"InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3/t3-/m1/s1","InChI=1S/C3H6N2/c4-2-1-3(2)5/h2,5H,1,4H2/b5-3+/t2-/m1/s1",108.74693,39.13211,
3739,[C:1]([C@@:2]([N:3]([H:10])[H:11])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]([C:4]#[N:5])[H:9])([H:6])[H:8].[N:3]([H:7])([H:10])[H:11],"InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3/t3-/m1/s1","InChI=1S/C3H3N.H3N/c1-2-3-4;/h2H,1H2;1H3",71.54214,14.473120000000002,"1,3_NH3_elimination"
3740,[C:1]([C@@:2]([N:3]([H:10])[H:11])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([N:3]([H:10])[H:11])=[C:4]=[N:5][H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3/t3-/m1/s1","InChI=1S/C3H6N2/c1-3(5)2-4/h4H,5H2,1H3",86.61964,25.096729999999997,
3741,[C:1]([C@@:2]([N:3]([H:10])[H:11])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]([N:3]([H:10])[H:11])([N+:5]#[C-:4])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3/t3-/m1/s1","InChI=1S/C3H6N2/c1-3(4)5-2/h3H,4H2,1H3/t3-/m0/s1",48.50651,18.31225,
3742,[C:1]([C@@:2]([N:3]([H:10])[H:11])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1](/[C:2](=[N:3]\[H:11])[H:9])([H:6])([H:7])[H:8].[C:4]=[N:5][H:10],"InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3/t3-/m1/s1","InChI=1S/C2H5N.CHN/c1-2-3;1-2/h2-3H,1H3;2H/b3-2-;",50.22838,37.01017,
3743,[C:1]([C@@:2]([N:3]([H:10])[H:11])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1](/[C:2](=[N:3]/[H:10])[C:4]#[N:5])([H:6])([H:8])[H:9].[H:7][H:11],"InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3/t3-/m1/s1","InChI=1S/C3H4N2.H2/c1-3(5)2-4;/h5H,1H3;1H/b5-3-;",111.90038999999999,23.78341,
3744,[C:1]([C@@:2]([N:3]([H:10])[H:11])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C:4]([N:3]([H:10])[H:11])=[N:5]1)([H:6])([H:7])[H:8],"InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3/t3-/m1/s1","InChI=1S/C3H6N2/c1-2-3(4)5-2/h2H,1H3,(H2,4,5)/t2-/m0/s1",94.01115,26.78156,
3745,[C:1]1([H:5])([H:6])[C:2]([H:7])([H:8])[O:3][C:4]1([H:9])[H:10],[C:1]1([H:5])=[C:2]([H:8])[O:3][C:4]1([H:9])[H:10].[H:6][H:7],InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2,"InChI=1S/C3H4O.H2/c1-2-4-3-1;/h1-2H,3H2;1H",119.3326,32.371559999999995,
3746,[C:1]1([H:5])([H:6])[C:2]([H:7])([H:8])[O:3][C:4]1([H:9])[H:10],[C:1]1([H:5])([H:6])[C:2]([H:7])([H:8])[O+:3]=[C-:4]1.[H:9][H:10],InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2,InChI=1S/C3H4O.H2/c1-2-4-3-1;/h1-2H2;1H,85.54052,66.13238,
3747,[C:1]1([H:5])([H:6])[C:2]([H:7])([H:8])[O:3][C:4]1([H:9])[H:10],[C:1]([C:2]([O+:3]=[C-:4][H:10])([H:7])[H:8])([H:5])([H:6])[H:9],InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2,"InChI=1S/C3H6O/c1-3-4-2/h2H,3H2,1H3",84.66009,46.25906,
3748,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O+:3]=[C-:4][C@:6]1([C:5]([H:11])([H:12])[H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h4-5H,1-2H3/t4-,5-/m1/s1",52.91969,25.46979,
3749,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:6](\[C:5]([C:4](=[O:3])[H:11])([H:12])[H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-3,5H,4H2,1H3/b3-2-",43.57087,-29.235529999999997,
3750,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O+:3]=[C-:4][C:5]([H:12])([H:13])[C:6]1([H:11])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,2-3H2,1H3/t5-/m1/s1",56.430240000000005,6.17266,
3751,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@@:6]1([H:14])[C@:4]([O:3][H:7])([H:11])[C:5]1([H:12])[H:13])[H:10])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-2-4-3-5(4)6/h2,4-6H,1,3H2/t4-,5+/m1/s1",61.962219999999995,-10.88005,
3752,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([O:3][C@@:4]1([H:11])[C:5]([H:12])([H:13])[C@:6]1([C:2][H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-4-3-5(4)6-2/h1,4-5H,3H2,2H3/t4-,5+/m1/s1",124.86121999999999,68.91691,
3753,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[O:3][C@@:4]([C:5]([H:12])([H:13])[H:14])([H:11])[C:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-4-3-5(2)6-4/h4-5H,1-2H3/t4-,5+",61.53284,55.49533,
3754,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:13])([C:6]1([H:14])[C:4]([H:11])=[C:5]1[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h2-6H,1H3/t4-/m1/s1",71.60455999999999,10.87707,
3755,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:6]1([H:14])[C:2]([H:10])=[O+:3][C-:4]([H:11])[C:5]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h3-5H,2H2,1H3/t5-/m1/s1",89.45409000000001,25.98594,
3756,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@:4]([C:5][H:12])([H:11])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-4-3-5(2)6-4/h1,4-5H,3H2,2H3/t4-,5+/m0/s1",62.261990000000004,60.562709999999996,
3757,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:14])[C:5]([H:12])([H:13])[C:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,2,4H2,1H3/t5-/m1/s1",62.54984,35.88389,
3758,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2,4-5H,3H2,1H3/t5-/m1/s1",62.25635,-31.94368,
3759,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:13])[C:5]([H:12])=[C:6]1[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1",66.30689,-28.275109999999998,
3760,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:6]1([C:5][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h1,4-5H,3H2,2H3/t4-,5-/m1/s1",65.75445,65.7093,
3761,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]([N:4]([C:3][H:11])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2/c1-4(3-5)6-2/h2,4,6H,1H3/t4-/m1/s1",77.23886,33.82947,
3762,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([N:4]([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2/c1-2-3-6-4-5/h6H,3H2,1H3",87.74320999999999,63.410990000000005,
3763,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C-:5]=[N:6][H:11])[C+:3]([H:10])[N:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h3,5-6H,1H3/t4-/m1/s1",137.5466,86.24396999999999,
3764,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([N:4]([C+:3]([H:10])[H:11])[H:12])=[C:5]=[N-:6])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2/c1-4(3-5)6-2/h6H,2H2,1H3",45.13106,19.0804,
3765,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([N:6]=[C:5]=[C:2]1[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2/c1-5-2-4-3-6-4/h6H,3H2,1H3",115.13785,45.41192,
3766,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([N+:6]#[C-:5])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2/c1-4(5-2)3-6-4/h6H,3H2,1H3/t4-/m0/s1",58.580040000000004,20.55856,
3767,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:5]#[N:6])[C-:3]([H:10])[N+:4]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h3H,6H2,1H3/t4-/m1/s1",66.81906,52.952059999999996,
3768,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:4]\[C:3]([H:10])([H:11])[H:12])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h6H,3H2,1H3/t4-/m1/s1",InChI=1S/C4H6N2/c1-4(3-5)6-2/h1-2H3/b6-4+,66.48495,-8.38452,
3769,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([N+:4]1([H:12])[C-:2]([C:5]#[N:6])[C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h6H,3H2,1H3",101.97108,48.70347,
3770,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[N:1]([N:5]=[C:4]([N+:3]#[C-:2])[H:8])([H:6])[H:7],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-4-2-5-3/h2H,3H2",88.53446,45.243959999999994,
3771,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[N:1]1=[N:5][C:4]([H:8])=[N:3][C:2]1([H:6])[H:7],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-3-2-5-4-1/h1H,2H2",53.564440000000005,30.33437,
3772,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[n:1]1([H:6])[c-:2][n+:3]([H:7])[c:4]([H:8])[n:5]1,"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-3-2-5-4-1/h1,3H,(H,4,5)",71.18619,26.17604,
3773,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[N:1]1([H:6])[C:2]([H:7])=[N+:3]=[C-:4][N:5]1[H:8],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-3-2-5-4-1/h1,4-5H",81.20481,54.364619999999995,
3774,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[N:1]([C@@:2]1([H:7])[N:3]=[C:4]1[H:8])([N:5])[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c3-5-2-1-4-2/h1-2,5H/t2-/m1/s1",138.17005,95.81323,
3775,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[C:2](#[N:3])[H:7].[N-:1]([N+:5]#[C:4][H:8])[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)",InChI=1S/CH2N2.CHN/c1-3-2;1-2/h1-2H;1H,91.36352,76.05039000000001,
3776,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[N:1](=[C:2]([N:3]=[C:4]=[N:5][H:8])[H:7])[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c3-1-5-2-4/h1,3-4H",82.4565,12.12032,
3777,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[N:1]([C:2]([N+:3]#[C:4][H:8])[H:7])([N-:5])[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)",InChI=1S/C2H2N3/c1-4-2-5-3/h1-2H/q-1/p+1,115.08724,108.23087,
3778,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[N:1]1([H:6])[C-:2]([H:7])[N+:3]([H:8])=[C:4]=[N:5]1,"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-3-2-5-4-1/h1,3-4H",87.13642,47.68184,
3779,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]([C-:3]([H:10])[H:11])=[C:4]([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-4-5-6(2)3/h1,5H,2H2,3H3",41.74776,15.44185,
3780,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[N:2]2[C:3]([H:10])([H:11])[C@@:4]2([H:12])[C:5][C:6]1([H:7])[H:13],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-2-5-4-6(5)3-1/h5H,1,3-4H2/t5-,6?/m1/s1",71.96736,32.79721,
3781,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C+:4]([H:12])[C:5]1=[C-:6][H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-5-3-4-6(5)2/h1,3H,4H2,2H3",77.64612,57.39875,
3782,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:6](=[C:5])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-3-5-4-6(5)2/h3,5H,4H2,2H3/t5-,6?/m1/s1",58.42167,48.43764,Singlet_Carbene_Intra_Disproportionation
3783,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1](=[N:2][C:3]([C:4](=[C:5]=[C:6]([H:8])[H:13])[H:12])([H:10])[H:11])([H:7])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-3-4-5-6-2/h4H,1-2,5H2",36.57185,-16.59072,
3784,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C:3](/[N:2]=[C:4](\[C:5]#[C:6][H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-3-5-6-4-2/h1,5H,4H2,2H3/b6-5-",92.88164,-18.00091,
3785,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:11])[C-:3]([H:10])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,4-6H,2H3/t5-/m1/s1",67.29101999999999,52.12429,
3786,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])/[C:4]1=[C:5](/[C:6][H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,3H,4H2,2H3/b5-3-",79.22437,53.25428,
3787,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:4]([N:2]=[C:3]([H:10])[H:11])([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-4-5(2)6-3/h1,5H,3H2,2H3/t5-/m1/s1",92.24577,-15.76317,
3788,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([C-:4]=[C:5]=[C+:6][H:13])([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-3-4-5-6-2/h1,6H,5H2,2H3",70.32174,52.25533,
3789,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C@@:4]2([H:12])[C:3]([H:10])([H:11])[C:5]2=[C:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-6-3-4-2-5(4)6/h3,5H,2H2,1H3/t5-/m0/s1",84.28128000000001,38.19379,
3790,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1=[C:5]=[C:6]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,4H2,2H3",88.2561,5.69355,
3791,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]1=[C:6]([H:14])[O:5][C:4]1([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h3H,2,4H2,1H3",61.612469999999995,-8.32033,
3792,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[C:4]([H:12])[H:13])[H:11])([C:6](=[O:5])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-3-5(2)4-6/h3-5H,1H2,2H3/t5-/m0/s1",40.15388,-31.1141,
3793,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C@@:6]1([H:14])[C:4]([H:12])([H:13])[O:5]1)[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-2-3-5-4-6-5/h2-3,5H,4H2,1H3/b3-2+/t5-/m0/s1",77.53126,-12.419939999999999,
3794,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:11])=[C:6]1[H:14])([H:7])([H:8])[H:9].[C:4](=[O:5])([H:12])[H:13],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C4H6.CH2O/c1-4-2-3-4;1-2/h2-4H,1H3;1H2",76.55595,26.911820000000002,2+2_cycloaddition
3795,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]1([H:11])[C-:4]([H:13])[O+:5]=[C:6]1[H:14])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h3-5H,2H2,1H3",88.08958,46.1297,
3796,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3]1([H:11])=[C:6]([H:14])[O:5][C:4]1([H:12])[H:13],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C3H4O.C2H4/c1-2-4-3-1;1-2/h1-2H,3H2;1-2H2",99.94740999999999,17.96566,
3797,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:4]([H:12])([H:13])[O:5][C@@:6]1([C:3][H:11])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h2,4-5H,3H2,1H3/t4-,5+/m0/s1",128.91482,61.02211,
3798,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:6]1([H:14])[C:3][C:4]([H:12])([H:13])[O:5]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h5H,2,4H2,1H3/t5-/m0/s1",61.60376,56.062180000000005,
3799,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:6]1([H:14])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h5H,3-4H2,1H3/t5-/m0/s1",64.84552,53.5311,
3800,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@@:6]1([H:14])[C:3]([H:11])=[C:4]([H:13])[O:5]1)[H:10])([H:7])[H:8].[H:9][H:12],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H6O.H2/c1-2-5-3-4-6-5;/h2-5H,1H2;1H/t5-;/m0./s1",74.42315,22.68617,
3801,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:14])[C:4]([H:12])([H:13])[O+:5]=[C-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h5H,2-3H2,1H3/t5-/m0/s1",56.84175,6.78777,
3802,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:6]1([H:14])[C:2]([H:10])=[C:3]([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m0/s1",96.78442,-31.45598,
3803,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O+:5]=[C-:6]1)([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h5H,2-3H2,1H3/t5-/m0/s1",52.09661,27.05299,
3804,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3][C:4]([H:12])([H:13])[O:5][C:6]1([H:11])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h5H,3-4H2,1H3/t5-/m0/s1",62.729490000000006,36.62768,
3805,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h5H,3-4H2,1H3",66.40479,60.51914,
3806,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[O:5][C:6]=1[H:14],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C4H4O.CH4/c1-2-4-5-3-1;/h1,4H,3H2;1H4",93.00683000000001,35.74065,
3807,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C-:4]=[O+:5][C@@:6]12[H:14])([H:7])([H:8])[H:9].[H:12][H:13],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H6O.H2/c1-3-4-2-6-5(3)4;/h3-5H,1H3;1H/t3-,4+,5-;/m0./s1",85.99756,70.06226,
3808,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4]([H:12])([H:13])[H:14])([H:11])[H:15])([C:5][C:6]([H:16])([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-4-5(2)6(4)3/h4-6H,1-3H3/t4-,5+,6-","InChI=1S/C6H12/c1-4-6(3)5-2/h6H,4H2,1-3H3/t6-/m0/s1",69.17836,65.12801999999999,
3809,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3][C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9].[C:4]([H:11])([H:12])([H:13])[H:14],"InChI=1S/C6H12/c1-4-5(2)6(4)3/h4-6H,1-3H3/t4-,5+,6-","InChI=1S/C5H8.CH4/c1-4-3-5(4)2;/h4-5H,1-2H3;1H4/t4-,5+;",100.37352,88.24849,
3810,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C:4]([H:12])([H:13])[H:14])[C:5](=[C:6]([H:16])[H:18])[H:15])[H:10])([H:7])([H:8])[H:9].[H:11][H:17],"InChI=1S/C6H12/c1-4-5(2)6(4)3/h4-6H,1-3H3/t4-,5+,6-","InChI=1S/C6H10.H2/c1-4-6(3)5-2;/h4-5H,1H2,2-3H3;1H/b6-5+;",125.3532,18.635460000000002,
3811,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([H:8])([H:16])[H:18])([H:15])[H:17])[H:11])[H:10])([H:7])[H:9],"InChI=1S/C6H12/c1-4-5(2)6(4)3/h4-6H,1-3H3/t4-,5+,6-","InChI=1S/C6H12/c1-4-6(3)5-2/h4,6H,1,5H2,2-3H3/t6-/m1/s1",91.16333,-4.35299,
3812,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:11])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9].[C:4]([H:10])([H:12])([H:13])[H:14],"InChI=1S/C6H12/c1-4-5(2)6(4)3/h4-6H,1-3H3/t4-,5+,6-","InChI=1S/C5H8.CH4/c1-4-3-5(4)2;/h3-4H,1-2H3;1H4/t4-;/m1./s1",161.60753,36.75201,
3813,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C+:2]([N:3]([C:4](=[C:5]=[N-:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-2-6-4-3-5/h2,4,6H,1H3",39.90173,16.2539,
3814,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])=[C:5]=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2,4-5H,1H3/t4-/m0/s1",92.40616,49.00614,
3815,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[C:4]([C:5]#[N:6])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-2-6-4-3-5/h2H,4H2,1H3/b6-2+",70.03519,-10.28755,
3816,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C+:2]1[N:3]([H:11])[C@:4]1([C-:5]=[N:6][H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h4-6H,1H3/t4-/m0/s1",138.33477,86.37778,
3817,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C-:2]1[N+:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h4H,6H2,1H3/t4-/m0/s1",67.48246999999999,55.157669999999996,
3818,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[N+:6]=[C-:5]/[C:4](=[N:3]\[H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-2-6-4-3-5/h2-3,5H,1H3/b5-3-",81.58763,32.8938,
3819,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]([N:3]([C:4][H:12])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-4(3-5)6-2/h2,4,6H,1H3/t4-/m1/s1",84.2678,33.49767,
3820,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]([C@:4]1([H:12])[C:5]([H:8])=[N:6]1)[H:11])[H:10])([H:7])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-2-5-4-3-6-4/h2-5H,1H2/t4-/m0/s1",93.26781,32.87019,
3821,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([N+:6]#[C-:5])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-3-4(5-2)6-3/h3-4,6H,1H3/t3-,4-/m1/s1",59.177609999999994,21.73903,
3822,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:8])([H:10])[N:3]([H:11])[C:4]([H:12])=[C:5]=[N:6]1,"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-2-6-4-3-5-1/h1,5H,3-4H2",88.91247,39.9536,
3823,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:4]([C:5]#[N:6])[N:3]1[H:11])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H4N2.H2/c1-3-4(2-5)6-3;/h6H,1H3;1H",114.32916000000002,64.31596,
3824,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@@:2]2([H:10])[N:3]([H:11])[C@@:4]2([H:12])/[C:5]1=[N:6]/[H:8],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c5-2-1-3-4(2)6-3/h3-6H,1H2/b5-2+/t3-,4+/m1/s1",100.29789,23.06266,
3825,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])[H:9].[H:8][H:10],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H4N2.H2/c1-3-4(2-5)6-3;/h4,6H,1H2;1H/t4-;/m0./s1",121.40406999999999,39.584920000000004,
3826,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]1=[C:5]=[N:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3,5-6H,1H3/t3-/m1/s1",104.24789,35.54162,
3827,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C+:4]=[C:5]=[N-:6])[H:11])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-2-6-4-3-5/h6H,2H2,1H3",74.4875,21.08543,
3828,[C:1]([C@@:2]([O:3][H:10])([C:4]#[C:5][H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:4]=[C:5]([O:3][H:10])[H:11])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3/t4-/m1/s1","InChI=1S/C4H6O/c1-2-3-4-5/h2,4-5H,1H3",66.49971,-1.10294,
3829,[C:1]([C@@:2]([O:3][H:10])([C:4]#[C:5][H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[H:9])([H:6])([H:7])[H:8].[C:4](#[C:5][H:11])[H:10],"InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3/t4-/m1/s1","InChI=1S/C2H4O.C2H2/c1-2-3;1-2/h2H,1H3;1-2H",72.44226,11.7597,
3830,[C:1]([C@@:2]([O:3][H:10])([C:4]#[C:5][H:11])[H:9])([H:6])([H:7])[H:8],[C:1](/[C:2]([O:3][H:10])=[C:4](/[C:5][H:11])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3/t4-/m1/s1","InChI=1S/C4H6O/c1-3-4(2)5/h1,3,5H,2H3/b4-3-",66.33041999999999,40.40459,
3831,[C:1]([C@@:2]([O:3][H:10])([C:4]#[C:5][H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([O:3][H:10])=[C:4]=[C:5]([H:9])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3/t4-/m1/s1","InChI=1S/C4H6O/c1-3-4(2)5/h5H,1H2,2H3",69.49377,-6.1097,
3832,[C:1]([C@@:2]([O:3][H:10])([C:4]#[C:5][H:11])[H:9])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:7])[C@:2]([O:3][H:10])([H:9])[C:4]1=[C:5]([H:8])[H:11],"InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3/t4-/m1/s1","InChI=1S/C4H6O/c1-3-2-4(3)5/h4-5H,1-2H2/t4-/m1/s1",95.61315,5.3043,
3833,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[C:3](=[C:4]1[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8].[N:1]#[C:2][H:9],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C3H5N.CHN/c1-3-2-4-3;1-2/h4H,1-2H2;1H",109.83811000000001,34.519290000000005,
3834,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]#[C:2][C:3]([C:4][N:6]([C:5]([H:9])([H:10])[H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-6-4-2-3-5/h6H,2H2,1H3",69.44161,27.62432,
3835,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]#[C:2][C:3]([C-:4]1[C:5]([H:10])([H:11])[N+:6]1([H:9])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h1,3,6H2",104.67693,47.98879,
3836,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N+:1](=[C-:2][C:3](/[C:4](=[N:6]/[H:12])[H:9])([H:7])[H:8])=[C:5]([H:10])[H:11],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-6-4-2-3-5/h3,5H,1-2H2/b5-3+",85.93446999999999,36.33658,
3837,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]1=[C:2]([C:3](/[C:4](=[N:6]/[H:12])[H:9])([H:7])[H:8])[C:5]1([H:10])[H:11],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h2,5H,1,3H2/b5-2+",92.53154,24.05481,
3838,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]#[C:2][N:6]([C:5]([C:4](=[C:3]([H:7])[H:8])[H:9])([H:10])[H:11])[H:12],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-2-3-6-4-5/h2,6H,1,3H2",72.71376,-2.12317,
3839,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C-:5]([H:11])[N+:6]1([H:10])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h3-4H,1,6H2/t4-/m0/s1",65.51071,54.53024,
3840,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]1([H:10])[C:2][C:3]([H:7])([H:8])[C@@:4]2([H:9])[C@:5]1([H:11])[N:6]2[H:12],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-2-5-4-3(1)6-4/h3-6H,1H2/t3-,4-/m0/s1",99.47335,43.45387,
3841,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1](=[C:2]=[C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])[H:8])[H:7],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h1,4-6H,3H2/t4-/m0/s1",93.18387,25.00111,
3842,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[H:7][H:9].[N:1]#[C:2]/[C:3](=[C:4]1\[C:5]([H:10])([H:11])[N:6]1[H:12])[H:8],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H4N2.H2/c5-2-1-4-3-6-4;/h1,6H,3H2;1H/b4-1+;",110.93366,34.2141,
3843,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C@:5]1([H:11])[N:6]2[H:12])\[H:10],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c5-2-1-3-4(2)6-3/h3-6H,1H2/b5-2-/t3-,4+/m0/s1",103.94034,26.0263,
3844,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]#[C:2][C:3](/[C:4](=[N:6]\[C:5]([H:10])([H:11])[H:12])[H:9])([H:7])[H:8],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-6-4-2-3-5/h4H,2H2,1H3/b6-4-",63.5174,-6.7929699999999995,
3845,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1](=[C:2]=[C:3]([H:7])[H:8])[C:5](/[C:4](=[N:6]/[H:12])[H:9])([H:10])[H:11],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-2-6-4-3-5/h3,5H,1,4H2/b5-3+",79.70889,13.80984,
3846,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]#[C:2][C:3]([C+:4]([N:6]([C-:5]([H:10])[H:11])[H:12])[H:9])([H:7])[H:8],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-6-4-2-3-5/h4,6H,1-2H2",50.95677,29.30333,
3847,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[C:5](=[N:6][H:12])([H:10])[H:11].[N:1]#[C:2][C:4](=[C:3]([H:7])[H:8])[H:9],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C3H3N.CH3N/c1-2-3-4;1-2/h2H,1H2;2H,1H2",103.11766999999999,11.166910000000001,
3848,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]#[C:2][C:3]([C:4]([N:6]([C:5][H:10])[H:12])([H:9])[H:11])([H:7])[H:8],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-6-4-2-3-5/h1,6H,2,4H2",72.49668,31.32034,
3849,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N+:1](#[C-:2])[C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-5-2-4-3-6-4/h4,6H,2-3H2/t4-/m0/s1",59.88175,22.94709,
3850,[C:1]([C:2]#[N:3])([H:4])([H:5])[H:6],[C:1]([N+:3]#[C-:2])([H:4])([H:5])[H:6],InChI=1S/C2H3N/c1-2-3/h1H3,InChI=1S/C2H3N/c1-3-2/h1H3,62.47716,24.9204,
3851,[C:1]([C:2]#[N:3])([H:4])([H:5])[H:6],[C:1](=[C:2]=[N:3][H:5])([H:4])[H:6],InChI=1S/C2H3N/c1-2-3/h1H3,"InChI=1S/C2H3N/c1-2-3/h3H,1H2",93.71374,24.92725,
3852,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1]([C@@:2]1([H:8])[C:5]2([C:3]([H:9])([H:10])[C:4]2([H:11])[H:12])[O:6]1)[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c5-3-4(6-3)1-2-4/h3,5H,1-2H2/t3-/m1/s1",63.284859999999995,29.85333,
3853,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1]([C:5]([C:4]([C:3]([C:2][H:8])([H:9])[H:10])([H:11])[H:12])=[O:6])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c1-2-3-4(5)6/h1H,2-3H2,(H,5,6)",65.42879,55.68127,
3854,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[C:2]1([H:8])=[C:3]([H:9])[C:4]([H:11])([H:12])[C:5]1=[O:6].[O:1]([H:7])[H:10],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H4O.H2O/c5-4-2-1-3-4;/h1-2H,3H2;1H2",73.56994,14.12495,"1,3_Insertion_ROR"
3855,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1]=[C:2]([C:5]([C:4]([C:3]([H:7])([H:9])[H:10])([H:11])[H:12])=[O:6])[H:8],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3",77.29644,-3.31935,
3856,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:12])([C:5](=[C+:4][H:11])[O-:6])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c1-3(5)4(2)6/h1,4,6H,2H3/t4-/m0/s1",74.35113,70.27561,
3857,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1]([C+:2]=[C:5]([C:4]([C:3]([H:8])([H:9])[H:10])([H:11])[H:12])[O-:6])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h2H2,1H3,(H-,5,6)",60.68995,41.42331,
3858,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[H:7][H:10].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:11])([H:12])[C:5]1=[O:6],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1",InChI=1S/C4H4O2.H2/c5-3-1-2-4(3)6;/h1-2H2;1H,100.05559000000001,19.286270000000002,
3859,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[C:4](=[C:5]=[O:6])([H:11])[H:12].[O:1]([C:2](=[C:3]([H:9])[H:10])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C2H4O.C2H2O/c2*1-2-3/h2-3H,1H2;1H2",51.97325,16.15856,
3860,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:12])=[C:5]1[O:6][H:11])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h1,4-6H,2H2/t4-/m0/s1",77.94615999999999,14.33365,ketoenol
3861,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1]1[C@@:2]([C:5](=[C:4]([H:11])[H:12])[O:6][H:7])([H:8])[C:3]1([H:9])[H:10],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4-5H,1-2H2/t4-/m0/s1",81.02305,17.41695,
3862,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1]([C:2]([C:3]([C:4](=[C:5]=[O:6])[H:12])([H:9])[H:10])([H:8])[H:11])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1,6H,2,4H2",78.98347,3.3433900000000003,
3863,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1]([C:2]1=[C:5]([O:6][H:8])[C:4]([H:11])([H:12])[C:3]1([H:9])[H:10])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h5-6H,1-2H2",75.28611,11.36668,ketoenol
3864,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1](/[C:2](=[C:3](/[C:4]([C:5](=[O:6])[H:9])([H:11])[H:12])[H:10])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1,3-5H,2H2/b3-1+",101.40671,0.73561,
3865,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[C:3](=[C:4]([H:11])[H:12])([H:9])[H:10].[O:1]([C:2](=[C:5]=[O:6])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C2H2O2.C2H4/c3-1-2-4;1-2/h1,3H;1-2H2",50.99285,35.2741,
3866,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1]([C:2][C:3]([C:4]([C:5](=[O:6])[H:8])([H:11])[H:12])([H:9])[H:10])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h3,6H,1-2H2",62.201519999999995,44.31606,
3867,[C:1]12([H:7])[C:2]3([H:8])[C:3]1([H:9])[C:4]1([H:10])[C:5]2([H:11])[C:6]31[H:12],[C@@:1]12([H:7])[C@@:2]3([H:8])[C@:3]1([H:9])[C:4][C@:5]2([H:11])[C:6]3([H:10])[H:12],InChI=1S/C6H6/c1-2-3(1)6-4(1)5(2)6/h1-6H,"InChI=1S/C6H6/c1-3-2-5-4(1)6(3)5/h3-6H,1H2/t3-,4+,5-,6+/m0/s1",51.34559,5.40108,
3868,[C:1]12([H:7])[C:2]3([H:8])[C:3]1([H:9])[C:4]1([H:10])[C:5]2([H:11])[C:6]31[H:12],[C:1]12([H:7])[C:2]([H:8])=[C:6]([H:12])[C:4]3([H:10])[C:3]1([H:9])[C:5]23[H:11],InChI=1S/C6H6/c1-2-3(1)6-4(1)5(2)6/h1-6H,InChI=1S/C6H6/c1-2-4-5-3(1)6(4)5/h1-6H,52.31386,-37.86787,
3869,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]1([H:10])[C:5]([H:11])=[C:6]2[H:12],[C:1]1([H:7])([H:8])[C@@:2]([C:6](=[C:5])[H:12])([H:9])[O:3][C:4]1([H:10])[H:11],"InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h1-2,4-5H,3H2/t4-,5+","InChI=1S/C5H6O/c1-2-5-3-4-6-5/h2,5H,3-4H2/t5-/m0/s1",67.36702,53.0441,
3870,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]1([H:10])[C:5]([H:11])=[C:6]2[H:12],[C:1]1([H:7])([H:8])[C@@:2]([C:6](=[C:5]([H:10])[H:11])[H:12])([H:9])[O+:3]=[C-:4]1,"InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h1-2,4-5H,3H2/t4-,5+","InChI=1S/C5H6O/c1-2-5-3-4-6-5/h2,5H,1,3H2/t5-/m0/s1",69.37559,28.85292,
3871,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]1([H:10])[C:5]([H:11])=[C:6]2[H:12],[C:1]1([H:7])([H:8])[C@:2]([O:3][H:10])([H:9])[C+:6]([H:12])[C:5]([H:11])=[C-:4]1,"InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h1-2,4-5H,3H2/t4-,5+","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3,5-6H,4H2/t5-/m0/s1",69.89681999999999,26.87606,
3872,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]1([H:10])[C:5]([H:11])=[C:6]2[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@@:6]2([H:12])[C:5]([H:11])=[C:4]1[H:10],"InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h1-2,4-5H,3H2/t4-,5+","InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m0/s1",35.89935,-24.24405,
3873,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]1([H:10])[C:5]([H:11])=[C:6]2[H:12],[C:1]([C@:4]1([H:10])[O:3][C:2]([H:9])=[C:6]([H:12])[C:5]1([H:8])[H:11])[H:7],"InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h1-2,4-5H,3H2/t4-,5+","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h1-2,4-5H,3H2/t5-/m0/s1",96.75775,51.91046,
3874,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]1([H:10])[C:5]([H:11])=[C:6]2[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]1([H:10])[C:5][C:6]2([H:11])[H:12],"InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h1-2,4-5H,3H2/t4-,5+","InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h4-5H,1,3H2/t4-,5+/m0/s1",62.95993000000001,55.325,Singlet_Carbene_Intra_Disproportionation
3875,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]1([H:10])[C:5]([H:11])=[C:6]2[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[C:5]([H:11])[C@@:6]12[H:12],"InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h1-2,4-5H,3H2/t4-,5+","InChI=1S/C5H6O/c1-2-6-5-3-4(1)5/h1-2,4-5H,3H2/t4-,5+/m0/s1",41.47438,-23.232039999999998,
3876,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([N:4]([C:5][O:6][H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H7NO2/c5-2-1-4-3-6/h4-6H,1-2H2",73.91972,41.37912,
3877,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C-:5]#[O+:6].[O:1]([C:2]([C:3]([N:4]([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C2H7NO.CO/c3-1-2-4;1-2/h4H,1-3H2;",84.10562,13.57864,"1,2_Insertion_CO"
3878,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[N:4](=[C:5]=[O:6])[H:12].[O:1]([C:2]([C:3]([H:10])([H:11])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C2H6O.CHNO/c1-2-3;2-1-3/h3H,2H2,1H3;2H",98.51886999999999,3.33031,
3879,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[H:7][H:11].[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H5NO2.H2/c5-2-1-4-3-6;/h2-3H,1H2,(H,4,6);1H",87.66264,21.03329,
3880,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[H:12][H:13].[O:1]([C:2]([C:3]([N:4]=[C:5]=[O:6])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H5NO2.H2/c5-2-1-4-3-6;/h5H,1-2H2;1H",80.85143000000001,19.15084,
3881,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([N:4]([C:5]([O:6][H:7])([H:9])[H:13])[H:12])([H:10])[H:11])[H:8],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H7NO2/c5-2-1-4-3-6/h2,4,6H,1,3H2",60.6234,24.63734,
3882,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:5](=[O:6])([H:11])[H:13].[O:1]([C:2](/[C:3](=[N:4]/[H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C2H5NO.CH2O/c3-1-2-4;1-2/h1,3-4H,2H2;1H2/b3-1+;",87.77875,40.68697,
3883,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[N:4](=[C:5](/[O:6][H:7])[H:13])\[H:12].[O:1]=[C:2]([C:3]([H:8])([H:10])[H:11])[H:9],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C2H4O.CH3NO/c1-2-3;2-1-3/h2H,1H3;1H,(H2,2,3)",64.45042,14.772210000000001,
3884,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([O:6][H:7])[H:13],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H7NO2/c5-3-4-1-2-6-3/h3-5H,1-2H2/t3-/m0/s1",45.264920000000004,13.61791,
3885,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[N:4](=[C:5](/[O:6][H:7])[H:13])\[H:12].[O:1]1[C:2]([H:8])([H:9])[C:3]1([H:10])[H:11],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C2H4O.CH3NO/c1-2-3-1;2-1-3/h1-2H2;1H,(H2,2,3)",82.87561,41.34923,
3886,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[H:7][H:13].[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]1=[O:6],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H5NO2.H2/c5-3-4-1-2-6-3;/h1-2H2,(H,4,5);1H",83.74864000000001,6.43444,
3887,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([O:6]/[C:5](=[N:4]/[H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+",70.1247,16.805039999999998,ketoenol
3888,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2](=[C:3]([N:4]([C+:5]([O-:6])[H:13])[H:12])[H:10])([H:8])[H:9].[O:1]([H:7])[H:11],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H5NO.H2O/c1-2-4-3-5;/h2-4H,1H2;1H2",69.00556999999999,12.97526,"1,3_Insertion_ROR"
3889,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([O+:6]=[C:5]([N:4]([C-:3]([H:10])[H:11])[H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H7NO2/c1-4-2-6-3-5/h2,4-5H,1,3H2",95.75103,69.14097,
3890,[C:1]([C:2](=[O:3])[N:4]([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([N:4]=[C:2]=[O:3])([H:5])([H:6])[H:7].[H:8][H:9],"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)",InChI=1S/C2H3NO.H2/c1-3-2-4;/h1H3;1H,107.10446999999999,29.814420000000002,
3891,[C:1]([C:2](=[O:3])[N:4]([H:8])[H:9])([H:5])([H:6])[H:7],[C:1](/[C:2]([O:3][H:8])=[N:4]\[H:9])([H:5])([H:6])[H:7],"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)","InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)",43.43122,10.57611,ketoenol
3892,[C:1]([C:2](=[O:3])[N:4]([H:8])[H:9])([H:5])([H:6])[H:7],[C:1](=[C:2]([O:3][H:6])[N:4]([H:8])[H:9])([H:5])[H:7],"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)","InChI=1S/C2H5NO/c1-2(3)4/h4H,1,3H2",64.06675,23.48374,ketoenol
3893,[C:1]([C:2](=[O:3])[N:4]([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([H:5])([H:6])([H:7])[H:9].[C:2](=[O:3])=[N:4][H:8],"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)",InChI=1S/CHNO.CH4/c2-1-3;/h2H;1H4,80.62543000000001,9.20866,
3894,[C:1]([C:2](=[O:3])[N:4]([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([O+:3]=[C-:2][N:4]([H:8])[H:9])([H:5])([H:6])[H:7],"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)","InChI=1S/C2H5NO/c1-4-2-3/h3H2,1H3",106.13015,53.62064,
3895,[C:1]([C:2](=[O:3])[N:4]([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]1([H:5])([H:7])/[C:2](=[N:4]/[H:8])[O:3]1.[H:6][H:9],"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)","InChI=1S/C2H3NO.H2/c3-2-1-4-2;/h3H,1H2;1H/b3-2-;",110.34843000000001,70.00278,
3896,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([N:3]([C:4][O:5][H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)","InChI=1S/C3H7NO/c1-2-4-3-5/h4-5H,2H2,1H3",72.87507,39.746390000000005,
3897,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([O:5]/[C:4](=[N:3]/[H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)","InChI=1S/C3H7NO/c1-2-5-3-4/h3-4H,2H2,1H3/b4-3+",72.12951,14.826210000000001,ketoenol
3898,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:7])[C:2]([H:9])([H:10])[N:3]([H:11])[C@@:4]1([O:5][H:8])[H:12],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)","InChI=1S/C3H7NO/c5-3-1-2-4-3/h3-5H,1-2H2/t3-/m1/s1",97.30036,28.5782,
3899,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C-:4]#[O+:5].[C:1](/[C:2](=[N:3]/[H:11])[H:9])([H:6])([H:7])[H:8].[H:10][H:12],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)","InChI=1S/C2H5N.CO.H2/c1-2-3;1-2;/h2-3H,1H3;;1H/b3-2+;;",83.09969,35.44115,
3900,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O+:5]=[C:4]([N:3]([C-:2]([H:9])[H:10])[H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)","InChI=1S/C3H7NO/c1-4-3-5-2/h3-4H,1H2,2H3",104.50455,74.14123000000001,
3901,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:4](=[O:5])[H:12])([H:6])([H:7])[H:8].[C:2](=[N:3][H:11])([H:9])[H:10],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)","InChI=1S/C2H4O.CH3N/c1-2-3;1-2/h2H,1H3;2H,1H2",105.20836000000001,34.08097,
3902,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:6])[H:7].[N:3](=[C:4](/[O:5][H:8])[H:12])\[H:11],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)","InChI=1S/C2H4.CH3NO/c1-2;2-1-3/h1-2H2;1H,(H2,2,3)",62.53009,30.017390000000002,Retroene
3903,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C-:2](=[N+:3]([C:4](=[O:5])[H:12])[H:11])[H:9].[C:1]([H:6])([H:7])([H:8])[H:10],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)",InChI=1S/C2H3NO.CH4/c1-3-2-4;/h1-3H;1H4,86.93604,69.87487,
3904,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[C:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])=[C:5]=[C:6]([H:12])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10/c1-4-6(3)5-2/h1,5H2,2-3H3",77.86858000000001,-3.6751699999999996,
3905,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[C:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:5](=[C:3](/[C:4]([H:13])([H:14])[H:15])[H:12])[C:6][H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10/c1-4-6(3)5-2/h3-4H,5H2,1-2H3/b6-4+",88.13684,58.53295,
3906,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[C:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[C:5](/[C:4]([H:13])([H:14])[H:15])[C:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10/c1-4-5-6(2)3/h2,5H,4H2,1,3H3/b6-5+",90.36359,58.686969999999995,
3907,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[C:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C-:3]=[C:5]=[C+:6][H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C5H6.CH4/c1-3-5-4-2;/h1H,4H2,2H3;1H4",88.02982,79.72480999999999,
3908,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[C:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[C:3]([C:4]([H:13])([H:14])[H:15])(=[C:5]=[C:6]([H:8])[H:16])[H:12],"InChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C4H6.C2H4/c1-3-4-2;1-2/h4H,1H2,2H3;1-2H2",58.254459999999995,22.17061,Retroene
3909,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[C:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3]([C:4]([H:13])([H:14])[H:15])=[C:5]=[C+:6][H:16].[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C4H4.C2H6/c1-3-4-2;1-2/h1H,2H3;1-2H3",86.12222,82.01579,
3910,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[C:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:6](=[C:5])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10/c1-4-6(3)5-2/h5-6H,4H2,1,3H3/t6-/m1/s1",64.77033,49.2344,Singlet_Carbene_Intra_Disproportionation
3911,[C:1]([O:2][C:3]1([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2][H:14])([H:7])([H:8])[H:9].[C:3]1([C:4]([H:10])([H:11])[H:12])=[C:5]([H:13])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-5(6-2)3-4-5/h3-4H2,1-2H3","InChI=1S/C4H6.CH4O/c1-4-2-3-4;1-2/h2H,3H2,1H3;2H,1H3",78.49375,37.85699,
3912,[C:1]([O:2][C:3]1([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2][H:12])([H:7])([H:8])[H:9].[C:3]1(=[C:4]([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-5(6-2)3-4-5/h3-4H2,1-2H3","InChI=1S/C4H6.CH4O/c1-4-2-3-4;1-2/h1-3H2;2H,1H3",72.4442,26.25488,"1,3_Insertion_ROR"
3913,[C:1]([O:2][C:3]1([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][C:5]([C:6]([C:4]([H:10])([H:11])[H:12])([H:15])[H:16])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(6-2)3-4-5/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h3-4H2,1-2H3",93.63032,34.26388,
3914,[C:1]([O:2][C:3]1([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:4]([H:10])([H:11])[H:12])[C:5]([C:6]([H:7])([H:15])[H:16])([H:13])[H:14])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(6-2)3-4-5/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-4-5(2)6-3/h3-4H2,1-2H3",66.51208000000001,43.2298,
3915,[C:1]([O:2][C:3]1([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2][C:6]([C:5]([C:3][C:4]([H:10])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(6-2)3-4-5/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h4-5H2,1-2H3",103.66767,68.92378000000001,
3916,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[n:5]1,[O:1]=[C:2]([C@:3]1([H:7])[C:4]([H:8])=[N:5]1)[H:6],InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H,InChI=1S/C3H3NO/c5-2-3-1-4-3/h1-3H/t3-/m0/s1,65.0778,18.9452,ketoenol
3917,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[n:5]1,[O:1]=[C:2]([C:3](=[C:4]=[N:5][H:8])[H:7])[H:6],InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H,"InChI=1S/C3H3NO/c4-2-1-3-5/h1,3-4H",56.6683,-5.92375,
3918,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[n:5]1,[O:1]=[N:5][C:4](=[C:3]=[C:2]([H:6])[H:7])[H:8],InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H,"InChI=1S/C3H3NO/c1-2-3-4-5/h3H,1H2",76.05366,55.720169999999996,
3919,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[n:5]1,[O:1]1[C:2]([H:6])=[C:3]=[C:4]([H:8])[N:5]1[H:7],InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H,InChI=1S/C3H3NO/c1-2-4-5-3-1/h2-4H,105.1716,61.772490000000005,
3920,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[n:5]1,[O:1]([C+:2]=[C:3]([C:4](=[N-:5])[H:8])[H:7])[H:6],InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H,"InChI=1S/C3H3NO/c4-2-1-3-5/h1-2,5H",91.51856,75.58771,
3921,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[n:5]1,[O+:1](=[C:2]([C:4]#[C:3][H:7])[H:6])[N-:5][H:8],InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H,"InChI=1S/C3H3NO/c1-2-3-5-4/h1,3-4H",192.51208,97.51174,
3922,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:16])([C:4]([C:5]([H:13])([H:14])[H:15])=[O:6])[H:10])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/C4H8O2.H2/c1-3(5)4(2)6;/h3,5H,1-2H3;1H/t3-;/m1./s1",69.03795,12.70171,
3923,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C@@:4]([O:6][H:16])([H:12])[C:5]1([H:14])[H:15])([H:7])([H:8])[H:9].[O:3]([H:11])[H:13],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/C4H8O.H2O/c1-3-2-4(3)5;/h3-5H,2H2,1H3;1H2/t3-,4+;/m0./s1",93.75723,22.296329999999998,
3924,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:11])([O:6][H:16])[H:10])([H:7])([H:8])[H:9].[C:4]([C:5]([H:13])([H:14])[H:15])[H:12],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/C2H6O2.C2H4/c1-2(3)4;1-2/h2-4H,1H3;1H,2H3",115.64768000000001,94.58747,
3925,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([C:5]([H:13])([H:14])[H:15])([H:10])[H:12])([H:7])([H:8])[H:9].[O:6]([H:11])[H:16],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/C4H8O.H2O/c1-3-4(2)5;/h3H2,1-2H3;1H2",66.75746,-3.37051,
3926,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([O:3][H:11])([H:7])([H:8])[H:9].[C:2]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/C3H6O.CH4O/c1-3(2)4;1-2/h1,3-4H,2H3;2H,1H3/t3-;/m0./s1",127.91973999999999,24.05872,
3927,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:16])([C:4](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9].[C:5]([H:11])([H:13])([H:14])[H:15],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/C3H6O2.CH4/c1-3(5)2-4;/h2-3,5H,1H3;1H4/t3-;/m1./s1",78.64948000000001,8.12403,
3928,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](\[C:5]([H:13])([H:14])[H:15])[O:6][H:16])[H:10])([H:7])([H:8])[H:9].[O:3]([H:11])[H:12],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/C4H8O.H2O/c1-3-4(2)5;/h3,5H,1-2H3;1H2/b4-3+;",72.41020999999999,9.8881,"1,3_Insertion_ROR"
3929,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:11])([H:10])[H:13])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:14])[H:15])([O:6][H:16])[H:12],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/C2H6O.C2H4O/c2*1-2-3/h3H,2H2,1H3;2-3H,1H2",85.77834,23.81394,
3930,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:11])=[C:4](/[O:6][H:16])[H:12])([H:7])([H:8])[H:9].[C:5]([H:10])([H:13])([H:14])[H:15],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/C3H6O2.CH4/c1-3(5)2-4;/h2,4-5H,1H3;1H4/b3-2-;",110.85926,13.80098,
3931,[O:1]=[C:2]([C:3]#[N:4])[C:5]#[N:6],[O+:1](=[C:2]=[C:5]=[N-:6])[C:3]#[N:4],InChI=1S/C3N2O/c4-1-3(6)2-5,InChI=1S/C3N2O/c4-1-2-6-3-5,100.13133,69.0771,
3932,[O:1]=[C:2]([C:3]#[N:4])[C:5]#[N:6],[O:1]=[C:2]([N+:4]#[C-:3])[C:5]#[N:6],InChI=1S/C3N2O/c4-1-3(6)2-5,InChI=1S/C3N2O/c1-5-3(6)2-4,45.38174,12.98494,
3933,[O:1]=[C:2]([C:3]#[N:4])[C:5]#[N:6],[O:1]=[C:2]=[C:3]=[N:4][C:5]#[N:6],InChI=1S/C3N2O/c4-1-3(6)2-5,InChI=1S/C3N2O/c4-3-5-1-2-6,101.56409000000001,41.67961,
3934,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:2]([N:3]([C:4]([N+:6]#[C-:5])([H:9])[H:10])[H:8])[H:7],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c1-4-2-5-3-6/h3H,2H2,(H,5,6)",54.920280000000005,20.65391,
3935,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O-:1][N+:6]#[C:5][C:4]([N:3]([C:2][H:7])[H:8])([H:9])[H:10],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c1-4-2-3-5-6/h1,4H,2H2",152.4573,114.16986999999999,
3936,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O:1](/[C:2](=[N:3]/[H:8])[H:7])[C:4]([C:5]#[N:6])([H:9])[H:10],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+",73.9472,16.22224,ketoenol
3937,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O:1](/[C:2](=[N:3]/[C:4]([C:5]#[N:6])([H:9])[H:10])[H:7])[H:8],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)",44.92972,10.20204,ketoenol
3938,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C-:5]=[N+:6]1[H:7],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h5H,1H2,(H,4,6)",86.06612,21.4019,
3939,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O:1](/[C:2](=[N:3]/[H:8])[H:7])[C:5]1=[N:6][C:4]1([H:9])[H:10],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c4-2-6-3-1-5-3/h2,4H,1H2/b4-2+",86.82805,54.813959999999994,
3940,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O:1]([C+:2]([N:3]([C:4](=[C:5]=[N-:6])[H:10])[H:8])[H:7])[H:9],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c4-1-2-5-3-6/h2-3,5-6H",46.01589,43.10065,
3941,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:5]1[C:4]([H:9])([H:10])[N:3]([H:8])[C:2]([H:7])=[N:6]1,"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)",120.98063,-2.86355,
3942,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O+:1](=[C:2]([N:3]([C-:4]([H:9])[H:10])[H:8])[H:7])[C:5]#[N:6],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c1-5-3-6-2-4/h3,5H,1H2",92.52805,77.32636,
3943,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O:1](/[C:2](=[N:3]/[H:8])[H:7])[N:6]=[C:5]=[C:4]([H:9])[H:10],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c1-2-5-6-3-4/h3-4H,1H2/b4-3+",95.62343,79.12066999999999,
3944,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:2]([N+:3]([C-:4]([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c4-1-2-5-3-6/h2-3H,5H2",87.38533000000001,62.78399,
3945,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[H:7][H:8].[O:1]=[C:2]=[N:3][C:4]([C:5]#[N:6])([H:9])[H:10],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)",InChI=1S/C3H2N2O.H2/c4-1-2-5-3-6;/h2H2;1H,79.85991999999999,19.55049,
3946,[C:1]([C:2]([C:3]([C:4]#[C:5][C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[C:4](\[C:5][C:6]([H:14])([H:15])[H:16])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3","InChI=1S/C6H10/c1-3-5-6-4-2/h5-6H,3H2,1-2H3/b6-5-",79.75759000000001,59.181940000000004,
3947,[C:1]([C:2]([C:3]([C:4]#[C:5][C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:5](=[C:4])[C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3","InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H2,1-2H3",57.94922,52.558580000000006,
3948,[C:1]([C:2]([C:3]([C:4]#[C:5][C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3](=[C:4]=[C:5]([C:6]([H:14])([H:15])[H:16])[H:9])([H:12])[H:13],"InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3","InChI=1S/C4H6.C2H4/c1-3-4-2;1-2/h4H,1H2,2H3;1-2H2",60.545840000000005,26.60845,Retroene
3949,[C:1]([C:2]([C:3]([C:4]#[C:5][C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])([H:13])[C:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3","InChI=1S/C6H10/c1-5-3-4-6(5)2/h5-6H,3H2,1-2H3/t5-,6+/m0/s1",94.9587,62.88795,
3950,[C:1]([C:2]([C:3]([C:4]#[C:5][C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]=[C:5]([C:6]([H:14])([H:15])[H:16])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3","InChI=1S/C6H10/c1-3-5-6-4-2/h3,6H,4H2,1-2H3",83.98813,1.59931,
3951,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([C:6]([H:14])([H:15])[H:16])[H:10])[C:5]([H:11])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3","InChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-3H3",94.32203,-0.2373,
3952,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]1[C@:4]([C:6]([H:14])([H:15])[H:16])([H:10])[C:5]1([H:11])[H:12])([H:7])[H:8].[H:9][H:13],"InChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3","InChI=1S/C6H8.H2/c1-3-6-4-5(6)2;/h5H,1,4H2,2H3;1H/t5-;/m0./s1",99.46906,46.208009999999994,
3953,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3","InChI=1S/C6H10/c1-5(2)6(3)4/h5H,1-3H3",58.27756,53.271319999999996,
3954,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C+:1]([C:2](=[C-:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3","InChI=1S/C6H10/c1-4-5-6(2)3/h4,6H,1H2,2-3H3",84.23355,62.94105,
3955,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]([C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3","InChI=1S/C6H10/c1-4-5-6(2)3/h5-6H,1H2,2-3H3",84.89959,3.07274,
3956,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([N:4]([C:5][O:6][H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO/c1-2-3-5-4-6/h5-6H,2-3H2,1H3",73.04477,39.72189,
3957,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3](=[N+:4]([C:5](=[O:6])[H:15])[H:14])[H:13].[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)",InChI=1S/C2H3NO.C2H6/c1-3-2-4;1-2/h1-3H;1-2H3,85.82159,72.13127,
3958,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](/[N:4]=[C:5](/[O:6][H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)",45.395959999999995,11.44771,ketoenol
3959,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[N:4](=[C:5](/[O:6][H:10])[H:15])\[H:14],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C3H6.CH3NO/c1-3-2;2-1-3/h3H,1H2,2H3;1H,(H2,2,3)",62.83135,26.90348,Retroene
3960,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:6]/[C:5](=[N:4]/[H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO/c1-2-3-6-4-5/h4-5H,2-3H2,1H3/b5-4+",71.9298,15.77941,ketoenol
3961,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[H:14])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:15],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C3H7N.CH2O/c1-3-2-4-3;1-2/h3-4H,2H2,1H3;1H2/t3-;/m1./s1",115.90288000000001,54.199569999999994,
3962,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[C:3](=[N:4][H:14])([H:12])[H:13],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C3H6O.CH3N/c1-2-3-4;1-2/h3H,2H2,1H3;2H,1H2",105.56653,34.89253,
3963,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([N:4]=[C:5]=[O:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[H:14][H:15],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H7NO.H2/c1-2-3-5-4-6;/h2-3H2,1H3;1H",79.12459,17.67843,
3964,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N+:4]([C-:3]([H:12])[H:13])([C:5](=[O:6])[H:15])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-5(2)4-6/h4-5H,2-3H2,1H3",128.34957,80.64265999999999,
3965,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3](=[N:4][H:14])([H:12])[H:13].[C:5](=[O:6])([H:9])[H:15],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C2H4.CH3N.CH2O/c3*1-2/h1-2H2;2H,1H2;1H2",94.41101,66.54948,
3966,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:6]=[C:5]([N:4]([C-:3]([H:12])[H:13])[H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-6-4-5-2/h4-5H,2-3H2,1H3",98.67086,71.19521,
3967,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[N:4]\[H:14])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:12])[H:15],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C3H7N.CH2O/c1-2-3-4;1-2/h3-4H,2H2,1H3;1H2/b4-3-;",102.10143000000001,37.87839,
3968,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([O:6][H:10])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-2-5-4(3)6/h3-6H,2H2,1H3/t3-,4+/m1/s1",97.59836999999999,26.267529999999997,
3969,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][H:13])[H:12])([H:6])([H:7])[H:8],[C:1]([C:2](/[C:3](=[C:4](/[O:5][H:13])[H:12])[H:10])([H:9])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4+/m0/s1","InChI=1S/C4H8O/c1-2-3-4-5/h3-5H,2H2,1H3/b4-3+",68.33095,-8.29759,
3970,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][H:13])[H:12])([H:6])([H:7])[H:8],[C:1]([C:2][C@@:4]([C:3]([H:9])([H:10])[H:11])([O:5][H:13])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4+/m0/s1","InChI=1S/C4H8O/c1-3-4(2)5/h4-5H,1-2H3/t4-/m1/s1",67.8189,61.444680000000005,
3971,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][H:13])[H:12])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4][O:5][H:13])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4+/m0/s1","InChI=1S/C4H8O/c1-4(2)3-5/h4-5H,1-2H3",56.84544,34.23082,
3972,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][H:13])[H:12])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([C:4][O:5][H:13])([H:10])[H:11])([H:9])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4+/m0/s1","InChI=1S/C4H8O/c1-2-3-4-5/h5H,2-3H2,1H3",55.16163,34.1081,
3973,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][H:13])[H:12])([H:6])([H:7])[H:8],[C:1]([C@@:2]([C:3]([C:4][H:12])([H:10])[H:11])([O:5][H:13])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4+/m0/s1","InChI=1S/C4H8O/c1-3-4(2)5/h1,4-5H,3H2,2H3/t4-/m0/s1",100.49483000000001,76.614,
3974,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][H:13])[H:12])([H:6])([H:7])[H:8],[C:1]([O:5][H:13])([H:6])([H:7])[H:8].[C:2]1([H:9])=[C:4]([H:12])[C:3]1([H:10])[H:11],"InChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4+/m0/s1","InChI=1S/C3H4.CH4O/c1-2-3-1;1-2/h1-2H,3H2;2H,1H3",121.80645,51.23789,
3975,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][H:13])[H:12])([H:6])([H:7])[H:8],[C:1]([C:2]1([H:9])[C:3]([H:11])=[C:4]1[H:12])([H:6])([H:7])[H:8].[O:5]([H:10])[H:13],"InChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4+/m0/s1","InChI=1S/C4H6.H2O/c1-4-2-3-4;/h2-4H,1H3;1H2",80.23819,35.767509999999994,
3976,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([O+:6]=[C-:5][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-5-3-4-6-2/h1H,3-4H2,2H3",116.26466,65.40932,
3977,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][H:10])([H:7])([H:8])[H:9].[C:4]([C:5](=[O:6])[H:14])([H:11])([H:12])[H:13],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/2C2H4O/c1-3-2;1-2-3/h1H,2H3;2H,1H3",78.64811999999999,64.06841999999999,
3978,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4](=[C:5]=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C4H6O2.H2/c1-6-4-2-3-5;/h2H,4H2,1H3;1H",80.2926,27.85033,
3979,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:13])([H:7])([H:8])[H:9].[C:3](=[C:4]([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C3H4O.CH4O/c1-2-3-4;1-2/h2-3H,1H2;2H,1H3",56.30068000000001,12.48477,"1,3_Insertion_ROR"
3980,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([C:5][O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-6-4-2-3-5/h5H,2,4H2,1H3",80.02616,51.18394,
3981,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([O:6][C:5](=[C:4]([H:12])[H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-3-6-4-5-2/h3H,1,4H2,2H3",74.11322,13.187470000000001,ketoenol
3982,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](/[C:4](=[C:5](/[O:6][H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-6-4-2-3-5/h2-3,5H,4H2,1H3/b3-2+",65.98085,8.548760000000001,ketoenol
3983,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:11])[H:14],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C3H6O.CH2O/c1-3-4-2;1-2/h3H,1H2,2H3;1H2",68.46929,25.99644,
3984,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[O:2][C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@:5]1([O:6][H:9])[H:14],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m1/s1",76.72736,-7.32205,
3985,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:4](\[C:5](=[O:6])[H:14])[H:12])[H:10])([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C4H6O2.H2/c1-6-4-2-3-5;/h2-4H,1H3;1H/b4-2-;",96.03809,22.55136,
3986,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:6][C@@:5]1([H:14])[O:2][C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-5-4-2-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1",85.51968000000001,11.68914,
3987,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m1/s1",91.37725999999999,-1.2789700000000002,
3988,[C:1]([C:2]([N:3]1[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([N+:3]1([H:13])[C:4]([H:11])([H:12])[C-:5]1[H:14])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H9N/c1-2-5-3-4-5/h2-4H2,1H3","InChI=1S/C4H9N/c1-2-5-3-4-5/h3,5H,2,4H2,1H3",66.2419,52.4906,
3989,[C:1]([C:2]([N:3]1[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C-:2]([N+:3]1=[C:5]([H:14])[C:4]1([H:11])[H:12])[H:10])([H:6])([H:7])[H:8].[H:9][H:13],"InChI=1S/C4H9N/c1-2-5-3-4-5/h2-4H2,1H3","InChI=1S/C4H7N.H2/c1-2-5-3-4-5;/h2-3H,4H2,1H3;1H",83.03959,70.16744,
3990,[C:1]([C:2]([N:3]1[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([N+:3]([C-:4]([H:11])[H:12])=[C:5]([H:13])[H:14])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H9N/c1-2-5-3-4-5/h2-4H2,1H3","InChI=1S/C4H9N/c1-4-5(2)3/h2-4H2,1H3",49.11555,24.011110000000002,
3991,[C:1]([C:2]([N:3]1[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])([H:9])[H:10])([H:6])([H:7])[H:8],[C-:2]([N+:3]1=[C:5]([H:14])[C:4]1([H:11])[H:12])([H:9])[H:10].[C:1]([H:6])([H:7])([H:8])[H:13],"InChI=1S/C4H9N/c1-2-5-3-4-5/h2-4H2,1H3","InChI=1S/C3H5N.CH4/c1-4-2-3-4;/h2H,1,3H2;1H4",93.51494,60.21825,
3992,[C:1]([C:2]([N:3]1[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:6])[H:7].[H:8][H:11].[N:3]1=[C:4]([H:12])[C:5]1([H:13])[H:14],"InChI=1S/C4H9N/c1-2-5-3-4-5/h2-4H2,1H3","InChI=1S/C2H3N.C2H4.H2/c1-2-3-1;1-2;/h1H,2H2;1-2H2;1H",91.90923000000001,55.7787,
3993,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[N-:1]([c:2]1[c:3]([H:9])[n+:4]([H:8])[c:5]([H:10])[n:6]1[H:11])[H:7],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C3H4N3/c4-3-1-5-2-6-3/h1-2,4H,(H,5,6)/q-1/p+1",60.083369999999995,23.77432,
3994,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[N:1](=[C:2]([C:3](=[N:4]\[C:5](=[N:6]\[H:11])[H:10])/[H:9])\[H:8])\[H:7],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C3H5N3/c4-1-2-6-3-5/h1-5H/b4-1+,5-3+,6-2-",70.44938,31.645940000000003,
3995,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[N:1](=[C:2]([C:3]([N+:4]#[C-:5])([H:8])[H:9])[N:6]([H:10])[H:11])[H:7],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C3H5N3/c1-6-2-3(4)5/h2H2,(H3,4,5)",85.17099,19.9947,
3996,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[C:3](=[N:4]/[C:5](=[N:6]/[H:11])[H:10])([H:8])[H:9].[N:1](=[C:2])[H:7],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C2H4N2.CHN/c1-4-2-3;1-2/h2-3H,1H2;2H/b3-2+;",74.57803,53.154540000000004,
3997,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[N:1](=[C:2]1[C:3]([H:8])=[N:4][C-:5]([H:10])[N+:6]1([H:9])[H:11])[H:7],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2,4H,6H2",77.23243000000001,51.99861,
3998,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[N:1]1([H:7])[C-:2]=[N+:6]([H:11])[C:5]([H:10])=[N:4][C:3]1([H:8])[H:9],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C3H5N3/c1-4-2-6-3-5-1/h1,5-6H,2H2",79.04423,31.933220000000002,
3999,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[n:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)",75.26065,-4.8907,
4000,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[C:3](=[N+:4]=[C-:5][H:10])([H:8])[H:9].[N:1](=[C:2]=[N:6][H:11])[H:7],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C2H3N.CH2N2/c1-3-2;2-1-3/h1H,2H2;2-3H",93.80704,67.49293,
4001,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[N:1]1([H:7])/[C:2](=[N:6]\[H:11])[C:3]1([H:8])[H:9].[N:4]#[C:5][H:10],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C2H4N2.CHN/c3-2-1-4-2;1-2/h1H2,(H2,3,4);1H",94.27079,53.16425,
4002,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[N:1]1([H:7])[C:2]([C:3]([N:4]=[C:5]([H:10])[H:11])([H:8])[H:9])=[N:6]1,"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C3H5N3/c1-4-2-3-5-6-3/h1-2H2,(H,5,6)",110.44956,82.72135,
4003,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N+:4]([H:10])=[C-:5][N:6]1[H:11])\[H:7],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h5H,1H2,(H2,4,6)",66.83166,22.44228,
4004,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[N:1]([C:2]1=[N:6][C:5]([H:10])=[N:4][C:3]1([H:8])[H:9])([H:7])[H:11],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)",48.2884,-2.69382,
4005,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][n:6]1)[H:7],[O:1]([C:2]([N:3]=[N:4][H:8])=[N+:6]=[N-:5])[H:7],"InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)","InChI=1S/CH2N4O/c2-4-1(6)5-3/h2,6H",59.32277,47.68956,
4006,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][n:6]1)[H:7],[O-:1][c:2]1[n:3][n:4]([H:8])[n:5][n+:6]1[H:7],"InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)","InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)",51.25734,8.146230000000001,ketoenol
4007,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][n:6]1)[H:7],[O:1]=[c:2]1[n:3]([H:7])[n:4]([H:8])[n:5][n:6]1,"InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)","InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)",59.647909999999996,15.564879999999999,ketoenol
4008,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][n:6]1)[H:7],[O:1]([N:3]=[C:2]=[N:6][N:5]=[N:4][H:8])[H:7],"InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)","InChI=1S/CH2N4O/c2-5-3-1-4-6/h2,6H",115.20452,78.3795,
4009,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][n:6]1)[H:7],[O:1]([c:2]1[n:3]([H:8])[n:4][n:5][n:6]1)[H:7],"InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)","InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)",52.87975,6.94957,
4010,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3]/[C:4](=[C:6](/[C:5]([H:13])([H:14])[H:15])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5-6-4-2/h3,5H,4H2,1-2H3/b5-3+",67.83221999999999,-9.167769999999999,
4011,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:11])([H:7])([H:8])[H:9].[C:4]([C:5]([H:10])([H:13])[H:14])(=[C:6]([H:15])[H:16])[H:12],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2H,1H3",76.58981,-5.57693,
4012,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[O:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:8],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C3H6O.C2H4/c4-3-1-2-3;1-2/h3-4H,1-2H2;1-2H2",67.20019,16.97537,"1,3_Insertion_ROR"
4013,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O+:3][C:4]([C:5]([C-:6]([H:15])[H:16])([H:13])[H:14])([H:10])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5-6-4-2/h4H,1,3,5H2,2H3",106.07048999999999,89.73368,
4014,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:6]([C:4](=[C:5]([H:13])[H:14])[H:12])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3",85.43927,-2.51494,
4015,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[H:8][H:12].[O:3]=[C:4]1[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3",InChI=1S/C3H4O.C2H4.H2/c4-3-1-2-3;1-2;/h1-2H2;1-2H2;1H,84.89001,45.04558,
4016,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C@@:4]([C:5][H:14])([C:6]([H:13])([H:15])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-4-6-5(2)3/h2,5H,4H2,1,3H3/t5-/m0/s1",68.14112,69.51063,
4017,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]1([H:12])=[C:6]([H:15])[C:5]1([H:13])[H:14],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C3H4.C2H6O/c1-2-3-1;1-2-3/h1-2H,3H2;3H,2H2,1H3",81.44459,40.51145,
4018,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([O+:3]=[C:4]([C:6]([C:5]([H:10])([H:13])[H:14])([H:15])[H:16])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5-6-4-2/h4-5H,3H2,1-2H3",81.31482,42.60522,
4019,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([C:4]([H:12])([H:13])[H:14])[H:8])([H:5])([H:6])[H:7],[C:1]([C:2][C:4]([H:12])([H:13])[H:14])([H:5])([H:6])[H:7].[C:3]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3",InChI=1S/C3H6.CH4/c1-3-2;/h1-2H3;1H4,92.91899000000001,87.78671999999999,
4020,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([C:4]([H:12])([H:13])[H:14])[H:8])([H:5])([H:6])[H:7],[C:1]([H:5])([H:6])([H:7])[H:14].[C:2]([C:3]([H:9])([H:10])[H:11])(=[C:4]([H:12])[H:13])[H:8],"InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3","InChI=1S/C3H6.CH4/c1-3-2;/h3H,1H2,2H3;1H4",112.33731999999999,19.055239999999998,
4021,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([C:4]([H:12])([H:13])[H:14])[H:8])([H:5])([H:6])[H:7],[C:1](=[C:2]([C:3]([H:8])([H:9])[H:10])[C:4]([H:12])([H:13])[H:14])([H:6])[H:7].[H:5][H:11],"InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3","InChI=1S/C4H8.H2/c1-4(2)3;/h1H2,2-3H3;1H",114.28546999999999,28.186559999999997,
4022,[C:1]([C:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2][C:4]([C:3]([C:5]#[N:6])([H:10])[H:11])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5(4-6)2-3-5/h2-3H2,1H3","InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H2,1H3",81.2831,64.81761,
4023,[C:1]([C:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]=[N:6][C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5(4-6)2-3-5/h2-3H2,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-3H2,1H3",87.93800999999999,72.74954,
4024,[C:1]([C:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2]1([C:5]#[N:6])=[C:4]([H:13])[C:3]1([H:10])[H:11],"InChI=1S/C5H7N/c1-5(4-6)2-3-5/h2-3H2,1H3","InChI=1S/C4H3N.CH4/c5-3-4-1-2-4;/h1H,2H2;1H4",126.88526999999999,46.05117,
4025,[C:1]([C:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:4]([C:3]([C+:2]=[C:5]=[N-:6])([H:10])[H:11])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5(4-6)2-3-5/h2-3H2,1H3","InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H2,1H3",98.08667,68.1489,
4026,[C:1]([C:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1([N+:6]#[C-:5])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5(4-6)2-3-5/h2-3H2,1H3","InChI=1S/C5H7N/c1-5(6-2)3-4-5/h3-4H2,1H3",61.05064,22.27974,
4027,[C:1]([C:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C+:5]=[N:6][H:10])[C-:3]([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5(4-6)2-3-5/h2-3H2,1H3","InChI=1S/C5H7N/c1-5(4-6)2-3-5/h2,6H,3H2,1H3/t5-/m1/s1",130.56785,86.47984,
4028,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[C:6][H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:5]=[C:6]([O:4][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3","InChI=1S/C5H8O/c1-5(2)3-4-6/h4,6H,1-2H3",64.10534,-0.7350800000000001,
4029,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[C:6][H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:6](=[C:5])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3","InChI=1S/C5H8O/c1-4-5(2,3)6/h4,6H,2-3H3",62.423069999999996,48.93493,Singlet_Carbene_Intra_Disproportionation
4030,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[C:6][H:14])([H:7])([H:8])[H:9],[C:1]([C:6](=[C:5]=[C:2]([C:3]([H:10])([H:11])[H:12])[O:4][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3","InChI=1S/C5H8O/c1-3-4-5(2)6/h3,6H,1-2H3",90.59083000000001,-5.008430000000001,
4031,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[C:6][H:14])([H:7])([H:8])[H:9],[C:1](/[C:5](=[C:2](\[C:3]([H:10])([H:11])[H:12])[O:4][H:13])[C:6][H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3","InChI=1S/C5H8O/c1-4(2)5(3)6/h1,6H,2-3H3/b5-4+",74.38401,43.33529,
4032,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[C:6][H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:10])([H:11])[H:12])[C:5]#[C:6][H:14])([H:7])[H:8].[O:4]([H:9])[H:13],"InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3","InChI=1S/C5H6.H2O/c1-4-5(2)3;/h1H,2H2,3H3;1H2",65.28193,10.62962,"1,3_Insertion_ROR"
4033,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C@:2]1([H:11])[C+:3]([H:8])[N:4]([H:9])[C:5]([H:10])=[C-:6]1)[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H",InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h2-6H/t4-/m0/s1,79.34666999999999,80.68902,
4034,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:2](/[C:3](=[N:4]/[H:9])[H:8])=[C:6]=[C:5]([H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c1-2-4(6)3-5/h3,5-6H,1H2/b5-3+",66.23852,42.33826,
4035,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:2]1=[C:6]([H:11])[C:5]([H:9])([H:10])[N:4]=[C:3]1[H:8])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1,3,6H,2H2",43.08383,11.180489999999999,
4036,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:2]1=[C:6]([H:11])[C:5]([H:10])=[N:4][C:3]1([H:8])[H:9])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-2,6H,3H2",44.022729999999996,9.17958,
4037,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]([H:9])[C:5]([H:10])=[C:6]1[H:11],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-2,5H,3H2",62.98914,0.24774000000000002,ketoenol
4038,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C@:2]1([H:8])[C:3][N:4]([H:9])[C:5]([H:10])=[C:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-2,4-6H/t4-/m0/s1",58.98271999999999,56.1673,Singlet_Carbene_Intra_Disproportionation
4039,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O-:1][C:2]1=[C:3]([H:8])[N:4]([H:9])[C+:5]([H:10])[C:6]1([H:7])[H:11],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h2-3,5H,1H2",74.13176999999999,28.104020000000002,
4040,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:2]1=[C-:6][C:5]([H:10])([H:11])[N:4]([H:9])[C+:3]1[H:8])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h3,5-6H,2H2",66.251,60.04302,Singlet_Carbene_Intra_Disproportionation
4041,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:2]1=[C:3]([H:8])[N:4]([H:9])[C:5][C:6]1([H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h3,5-6H,1H2",62.2393,50.30387,Singlet_Carbene_Intra_Disproportionation
4042,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1](/[C:2](=[C:3]([N+:4](=[C:5](\[C-:6])[H:10])/[H:9])\[H:8])[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H4NO/c1-2-5-3-4-6/h2-4,6H/q-1/p+1/b4-3+,5-2-",104.3234,105.42673,Singlet_Carbene_Intra_Disproportionation
4043,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:2]1=[C:3]([H:8])[N+:4]([H:9])([H:10])[C-:5]=[C:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1,3,6H,5H2",83.8731,72.06031,
4044,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C@:2]1([H:9])[C:3]([H:8])=[N:4][C:5]([H:10])=[C:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-4,6H/t4-/m0/s1",44.005520000000004,22.25594,
4045,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:2]1(/[C:3](=[N:4]/[H:9])[H:8])[C:5]([H:10])=[C:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h1-3,5-6H/b5-3+",101.51898,58.301919999999996,
4046,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:2]1=[C:3]([H:8])[C@@:6]1(/[C:5](=[N:4]/[H:9])[H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h1-3,5-6H/b5-2+/t3-/m1/s1",98.99194,59.237109999999994,
4047,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:2]1=[C-:3][N+:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-2,6H,5H2",82.71303,73.65397,
4048,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C@@:2]12[C@@:3]3([H:8])[N:4]([H:9])[C@:5]1([H:10])[C@@:6]23[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2(4)5-3(1)4/h1-3,5-6H/t1-,2-,3+,4-",131.11848,93.82643,
4049,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:2]1=[C:6]=[C:5]([H:10])[N:4]([H:9])[C:3]1([H:8])[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h2,5-6H,3H2",84.69622,53.0131,
4050,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C@@:3]1([H:8])[C-:2]=[C:6]([H:11])[C+:5]([H:10])[N:4]1[H:9])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3-6H/t4-/m0/s1",92.30298,65.3539,
4051,[C:1]([C@@:2]1([C:5]#[C:6][H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:6](=[C:5]=[C:2]1[C:3]([H:10])([H:11])[O:4]1)[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6-5/h1H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h2H,4H2,1H3",103.88986,8.42216,
4052,[C:1]([C@@:2]1([C:5]#[C:6][H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([O+:4]=[C-:3][H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6-5/h1H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-4-5(2)6-3/h1,3,5H,2H3/t5-/m1/s1",80.04072,49.664970000000004,
4053,[C:1]([C@@:2]1([C:5]#[C:6][H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3][H:11])([O:4][H:10])[C:5]#[C:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6-5/h1H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-4-5(2,3)6/h1-2,6H,3H3/t5-/m1/s1",72.89603000000001,68.44565,
4054,[C:1]([C@@:2]1([C:5]#[C:6][H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]=[C:6]([H:12])[O:4][C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6-5/h1H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-5-2-3-6-4-5/h3H,4H2,1H3",63.6978,12.75128,
4055,[C:1]([C@@:2]1([C:5]#[C:6][H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C+:2]1[C:3]([H:10])([H:11])[O:4][C:5]1=[C-:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6-5/h1H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-4-3-6-5(4)2/h2H,3H2,1H3",68.79196,52.578019999999995,
4056,[C:1]([C@@:2]1([C:5]#[C:6][H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1](/[C:5](=[C:2]1\[C:3]([H:10])([H:11])[O:4]1)[C:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6-5/h1H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-4(2)5-3-6-5/h1H,3H2,2H3/b5-4+",90.23835,59.84463,
4057,[C:1]([C@@:2]1([C:5]#[C:6][H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:6](=[C:5])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6-5/h1H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-3-5(2)4-6-5/h3H,4H2,2H3/t5-/m1/s1",58.20605,48.66217,Singlet_Carbene_Intra_Disproportionation
4058,[C:1]([C@@:2]1([C:5]#[C:6][H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O+:4][C-:3]([H:10])[H:11])[C:5]#[C:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6-5/h1H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-4-5(2)6-3/h1H,3H2,2H3",60.4846,42.9364,
4059,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C@:2]1([C:5](=[O:6])[H:10])[C:3]([H:9])=[N:4]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3(2-6)1-5-3/h1-2H,4H2/t3-/m1/s1",67.59716999999999,41.4387,
4060,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N+:1]([C:2]1=[C:3]=[N:4][C-:5]([H:10])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C3H3N2O/c4-3-1-5-2-6-3/h2H,4H2/q-1/p+1",92.76576999999999,85.93865,
4061,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C:2](=[C:3]([N+:4]#[C:5][H:10])[H:9])[O-:6])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c1-5-2-3(4)6/h1-2H,4H2",37.7701,30.77634,
4062,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c-:5][o+:6]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1,5H,4H2",66.3138,30.06557,
4063,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[N:4]1[C:5](=[O:6])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-5(3)2-6/h1-2H,4H2",70.47201,65.81045,ketoenol
4064,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([c:2]1[c-:3][n:4]([H:9])[c:5]([H:10])[o+:6]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h2,5H,4H2",86.99457,49.6774,
4065,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C:2]([C@:3]1([H:9])[N:4]=[C:5]1[H:10])=[O:6])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3(6)2-1-5-2/h1-2H,(H2,4,6)/t2-/m1/s1",77.26301,23.75263,ketoenol
4066,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C:2](=[C+:3][H:9])[O-:6])([H:7])[H:8].[N:4]#[C:5][H:10],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C2H3NO.CHN/c1-2(3)4;1-2/h1H,3H2;1H",86.75445,82.94216,
4067,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[C:2](=[C+:3][H:9])=[N-:4].[N:1]([C:5](=[O:6])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C2HN.CH3NO/c1-2-3;2-1-3/h1H;1H,(H2,2,3)",140.908,85.9101,
4068,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1](=[C:2]1\[C:3]([H:9])=[N:4][C:5]([H:7])([H:10])[O:6]1)\[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1,4H,2H2/b4-3+",100.13942,8.377089999999999,
4069,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:5]([H:13])([H:14])[H:15])([H:11])[H:12])([C:4][O:6][H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h5-6H,3H2,1-2H3/t5-/m0/s1",91.78531,39.01696,
4070,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C-:2][C:3]([C+:4][O:6][H:16])([H:11])[H:12])([H:7])([H:8])[H:9].[C:5]([H:10])([H:13])([H:14])[H:15],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH4/c1-2-3-4-5;/h5H,3H2,1H3;1H4",128.47638,126.05722,
4071,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([C:4](=[C:5]([H:13])[H:14])[O:6][H:16])([H:11])[H:12])[H:10])([H:7])[H:8].[H:9][H:15],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H8O.H2/c1-3-4-5(2)6;/h3,6H,1-2,4H2;1H",68.99725,21.619970000000002,
4072,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[C:4](\[C:5]([H:13])([H:14])[H:15])[O:6][H:16])[H:11])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-3-4-5(2)6/h4,6H,3H2,1-2H3/b5-4+",68.42194,-8.28265,
4073,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-4(2)5(3)6/h6H,1-3H3",63.11002,-11.13557,
4074,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1=[O:6])([H:7])([H:8])[H:9].[C:5]([H:13])([H:14])([H:15])[H:16],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH4/c1-3-2-4(3)5;/h3H,2H2,1H3;1H4/t3-;/m0./s1",90.52009,19.11683,
4075,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:2][C:4]([C:3]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-4-5(2,3)6/h6H,1-3H3",63.113530000000004,60.139959999999995,
4076,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:4]([C:3]([C:2][H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-4-5(2,3)6/h1,6H,4H2,2-3H3",100.74106,70.87907,
4077,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-3-4-5(2)6/h5-6H,4H2,1-2H3/t5-/m0/s1",71.67158,59.732690000000005,
4078,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4][O:6][H:16])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-5(2)3-4-6/h5-6H,3H2,1-2H3",91.80872,37.133340000000004,
4079,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])=[C:4]1[C:5]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9].[O:6]([H:11])[H:16],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H8.H2O/c1-4-3-5(4)2;/h3-4H,1-2H3;1H2/t4-;/m0./s1",78.02193,33.72331,
4080,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:4]([C:5]([H:13])([H:14])[H:15])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9].[O:6]([H:10])[H:16],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H8.H2O/c1-4-3-5(4)2;/h3H2,1-2H3;1H2",79.24564000000001,30.43747,
4081,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1)([H:7])([H:8])[H:9].[C:5]([O:6][H:16])([H:13])([H:14])[H:15],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C4H6.CH4O/c1-4-2-3-4;1-2/h4H,2H2,1H3;2H,1H3/t4-;/m0./s1",127.20571000000001,99.19879,
4082,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4]([O+:6]=[C-:5][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C4H8O2/c1-6-4-2-3-5/h1,5H,2-4H2",115.30321,65.61126999999999,
4083,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](/[C:4](=[C:5](\[O:6][H:7])[H:14])[H:12])([H:10])[H:11])([H:8])[H:9])[H:13],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C4H8O2/c5-3-1-2-4-6/h1,3,5-6H,2,4H2/b3-1-",41.03151,5.858569999999999,ketoenol
4084,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:4](=[C:5]([O:6][H:8])[H:14])([H:12])[H:13].[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/2C2H4O/c2*1-2-3/h2*2-3H,1H2",62.793519999999994,26.811740000000004,Retroene
4085,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[C:4]([C:5](=[O:6])[H:14])[H:13])([H:10])[H:11].[H:7][H:12].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C3H4O.CH2O.H2/c1-2-3-4;1-2;/h2-3H,1H2;1H2;1H",86.45339,47.6968,
4086,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[C:4]([H:12])[H:13])([H:10])[H:11].[C:5](=[O:6])([H:7])[H:14].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2",InChI=1S/C2H4.2CH2O/c3*1-2/h1-2H2;2*1H2,94.38739,48.3388,
4087,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]([H:8])[H:9].[O:1]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C3H6O2.CH2/c4-2-1-3-5;/h2,5H,1,3H2;1H2",126.74385,110.58227,
4088,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[H:7][H:8].[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])[H:9],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C4H6O2.H2/c5-3-1-2-4-6;/h3-4H,1-2H2;1H",85.44328,16.539939999999998,
4089,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6].[O:1]([H:7])[H:14],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2",InChI=1S/C4H6O.H2O/c5-4-2-1-3-4;/h1-3H2;1H2,92.72633,7.304010000000001,
4090,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:5]([C:4]([C:3]([C:2]([H:8])([H:9])[H:14])([H:10])[H:11])([H:12])[H:13])=[O:6])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)",91.71419,-28.11135,
4091,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C-:5]#[O+:6].[H:11][H:14].[O:1]([C:2]([C:3](=[C:4]([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C3H6O.CO.H2/c1-2-3-4;1-2;/h2,4H,1,3H2;;1H",76.41579,31.125729999999997,
4092,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([O:6][H:7])[H:14],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C4H8O2/c5-4-2-1-3-6-4/h4-5H,1-3H2/t4-/m1/s1",35.194309999999994,-5.425269999999999,
4093,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([O:6][C:5](=[C:4]([H:12])[H:13])[H:14])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2",90.38356999999999,18.104960000000002,ketoenol
4094,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2](=[C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:8])[H:9].[O:1]([H:7])[H:11],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C4H6O.H2O/c1-2-3-4-5;/h2,4H,1,3H2;1H2",70.11946,12.158560000000001,"1,3_Insertion_ROR"
4095,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]3([H:9])[O:4][C@@:5]2([H:10])[C@:6]13[H:11],[N:1]([C:2]1([H:8])[C:3]([H:9])=[O+:4][C:5]1[H:10])([C-:6][H:11])[H:7],"InChI=1S/C4H5NO/c5-1-3-2(5)4(1)6-3/h1-5H/t1-,2+,3-,4+",InChI=1S/C4H5NO/c1-5-4-2-6-3-4/h1-5H,58.6686,54.748090000000005,
4096,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]3([H:9])[O:4][C@@:5]2([H:10])[C@:6]13[H:11],[N+:1]1([H:7])([H:9])[C@:2]2([H:8])[C-:3]3[O:4][C@:5]2([H:10])[C@@:6]13[H:11],"InChI=1S/C4H5NO/c5-1-3-2(5)4(1)6-3/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H4NO/c5-1-3-2(5)4(1)6-3/h1-3,5H/q-1/p+1/t1-,2+,3-",79.18195,56.96273000000001,
4097,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]3([H:9])[O:4][C@@:5]2([H:10])[C@:6]13[H:11],[N:1]1([H:7])[C-:2]([H:8])[C:3]([O+:4]=[C-:5][H:10])([H:9])[C+:6]1[H:11],"InChI=1S/C4H5NO/c5-1-3-2(5)4(1)6-3/h1-5H/t1-,2+,3-,4+",InChI=1S/C4H5NO/c1-6-4-2-5-3-4/h1-5H,59.19911,55.12368000000001,
4098,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[N:4][N:5]([H:9])[O:6]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c1-3-2-4-5-6-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3-2-4-5-6-3/h2,5H,1H2",107.01418999999999,30.55595,
4099,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[N-:4]=[N+:5]=[O:6],"InChI=1S/C3H4N2O/c1-3-2-4-5-6-3/h2H,1H3","InChI=1S/C3H4.N2O/c1-3-2;1-2-3/h1H,2H3;",72.4846,33.997890000000005,
4100,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]1([H:10])[N:4]=[N:5]1)=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-2-4-5-6-3/h2H,1H3","InChI=1S/C3H4N2O/c1-2(6)3-4-5-3/h3H,1H3",37.60604,10.082310000000001,ketoenol
4101,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C+:3][N:4]([H:10])[N-:5][O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-2-4-5-6-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3-2-4-5-6-3/h4H,1H3",91.43288000000001,50.04803,
4102,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([N-:5][N+:4]#[C:3][H:10])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-2-4-5-6-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3(6)5-4-2/h2H,1H3",81.43177,21.20744,
4103,[C:1]([C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:6]([H:16])([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([C:5]([H:13])([H:14])[H:15])[H:12],"InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3","InChI=1S/C3H8O.C2H4/c1-3-4-2;1-2/h3H2,1-2H3;1H,2H3",125.39804,105.78981999999999,
4104,[C:1]([C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:17])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([C:5]([H:13])([H:14])[H:15])(=[C:6]([H:16])[H:18])[H:12],"InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3","InChI=1S/C3H6.C2H6O/c1-3-2;1-2-3/h3H,1H2,2H3;3H,2H2,1H3",65.23366999999999,16.76397,"1,3_Insertion_ROR"
4105,[C:1]([C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([C:5]([H:12])([H:13])[H:15])=[C:6]([H:16])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9].[H:14][H:17],"InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3","InChI=1S/C5H10O.H2/c1-4-6-5(2)3;/h2,4H2,1,3H3;1H",116.88413,23.55539,
4106,[C:1]([C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2]([O+:3]=[C:4]([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11].[C:1]([C:5]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3","InChI=1S/C3H6O.C2H6/c1-3-4-2;1-2/h3H,2H2,1H3;1-2H3",158.25345,77.89954,
4107,[C:1]([C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([O+:3]=[C:4]([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])[H:10])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3","InChI=1S/C5H10O.H2/c1-4-6-5(2)3;/h4H,1-3H3;1H",80.73456999999999,77.75258000000001,
4108,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][n:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[N-:4]=[N+:5]=[N:6][H:11],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H4.HN3/c2*1-3-2/h1H,2H3;1H",89.4411,59.49728,
4109,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][n:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[N:4][N:5]=[N:6][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-2-3-5-6-4/h2,4H,1H3",113.30548999999999,55.34163,
4110,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][n:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:11])[C:3]([H:10])=[N:4][N:5]=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2-3H,1H3/t3-/m0/s1",53.18431999999999,26.92365,
4111,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][n:6]1[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2]([C-:3]([N+:4]#[N:5])[H:10])=[N:6]\[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3(4)2-6-5/h2,4H,1H3/b4-3+",31.646759999999997,15.95302,
4112,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][n:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([c:2]1[c:3]([H:10])[n:4][n:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)",46.88033,-5.108569999999999,
4113,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][n:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]#[N+:4][N-:5][N:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h3,5H,1H3/t3-/m0/s1",82.77868000000001,79.64882,Singlet_Carbene_Intra_Disproportionation
4114,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][n:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C+:3][N:4]([H:10])[N-:5][N:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h4-5H,1H3",83.76944,42.08526,
4115,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][n:6]1[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[N:4][N:5]([H:7])[N:6]1[H:11])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2,5-6H,1H2",113.7789,38.830040000000004,
4116,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])[H:8].[C:4]([H:9])([H:11])([H:12])[H:13],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C3H6O2.CH4/c1-5-3-2-4;/h3-4H,1-2H2;1H4",93.99945,73.9016,
4117,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([O:6][C:5]([C@@:3]([O:2][H:16])([C:4]([H:11])([H:12])[H:13])[H:10])([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m0/s1",88.07477,0.22903,
4118,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:4]([H:11])([H:12])[H:13])([H:7])([H:8])[H:9].[C:3]([C:5]([O:6][H:16])([H:14])[H:15])[H:10],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C2H6O.C2H4O/c1-3-2;1-2-3/h1-2H3;1,3H,2H2",124.66875,26.70713,
4119,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:4]([H:11])([H:12])[H:13])[H:10])([H:7])[H:8].[C:5]([O:6][H:16])([H:9])([H:14])[H:15],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C3H6O.CH4O/c1-3-4-2;1-2/h3H,2H2,1H3;2H,1H3",94.15708000000001,79.73013,
4120,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][C:4]([H:11])([H:12])[H:13])([H:7])([H:8])[H:9].[C:5]([O:6][H:16])([H:10])([H:14])[H:15],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C3H6O.CH4O/c1-3-4-2;1-2/h1-2H3;2H,1H3",80.86792,63.092969999999994,
4121,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][H:16])([H:7])([H:8])[H:9].[C@:3]1([C:4]([H:11])([H:12])[H:13])([H:10])[C:5]([H:14])([H:15])[O:6]1,"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C3H6O.CH4O/c1-3-2-4-3;1-2/h3H,2H2,1H3;2H,1H3/t3-;/m0./s1",71.91368,26.05082,
4122,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9].[C:4]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C3H6O2.CH4/c1-5-3-2-4;/h4H,2H2,1H3;1H4",85.64591,57.57224,
4123,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][H:16])([H:7])([H:8])[H:9].[C:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:15])([H:10])[H:14],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C3H6O.CH4O/c1-2-3-4;1-2/h3H,2H2,1H3;2H,1H3",66.12094,5.203119999999999,
4124,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([H:10])[H:14])([H:7])([H:8])[H:9].[C:5]([O:6][H:16])[H:15],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C3H8O.CH2O/c1-3-4-2;1-2/h3H2,1-2H3;1-2H",85.99648,78.35497,
4125,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])[H:8].[H:9][H:10],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C4H8O2.H2/c1-4(3-5)6-2;/h5H,2-3H2,1H3;1H",84.19198,78.05049,
4126,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[O:2][C@:3]([C:4]([H:11])([H:12])[H:13])([H:10])[C:5]1([H:14])[H:15].[O:6]([H:9])[H:16],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C4H8O.H2O/c1-4-2-3-5-4;/h4H,2-3H2,1H3;1H2/t4-;/m0./s1",101.48094,10.85255,
4127,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][H:11])([H:7])([H:8])[H:9].[C:3](=[C:4]([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C3H6O.CH4O/c1-2-3-4;1-2/h2,4H,1,3H2;2H,1H3",63.70397,19.3954,"1,3_Insertion_ROR"
4128,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])=[C:5]([H:14])[H:15])([H:7])([H:8])[H:9].[O:6]([H:10])[H:16],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C4H8O.H2O/c1-4(2)5-3;/h1H2,2-3H3;1H2",73.10123,9.32278,"1,3_Insertion_ROR"
4129,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O+:3]=[C-:2][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-6-4-2-3-5/h5H,2-3H2,1H3",115.97102,68.96935,
4130,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([H:10])([H:11])[H:13])([H:7])([H:8])[H:9].[C:5]([O:6][H:14])[H:12],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3",InChI=1S/C3H6O.CH2O/c1-3(2)4;1-2/h1-2H3;1-2H,80.3703,75.35294,
4131,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:8])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(6)2-3-5/h5-6H,1-3H2",66.39076,12.89747,ketoenol
4132,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:5]([O:6][H:14])([H:12])[H:13])=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(2)6-3-5/h5H,1,3H2,2H3",83.35018000000001,17.47174,ketoenol
4133,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:14])([H:7])([H:8])[H:9].[C:4]([C:5](=[O:6])[H:12])([H:10])([H:11])[H:13],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/2C2H4O/c2*1-2-3/h2*2H,1H3",102.46316,15.673779999999999,
4134,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:14])([C@@:4]1([H:10])[C:5]([H:12])([H:13])[O:6]1)[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1",80.53016,27.105970000000003,
4135,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([O:3][H:14])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(5)2-3-6-4/h5H,2-3H2,1H3/t4-/m1/s1",51.73792,15.78464,
4136,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:7])[H:9].[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:8])([H:10])[H:11],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C2H6O.C2H2O/c2*1-2-3/h3H,2H2,1H3;1H2",87.26763000000001,25.39538,
4137,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@:2]([C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[O:3]1,"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m1/s1",98.98021,30.37704,
4138,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:14])=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:12])[H:13],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C3H6O.CH2O/c1-3(2)4;1-2/h4H,1H2,2H3;1H2",38.574870000000004,28.51255,Retroene
4139,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[C:2](=[O:3])=[C:4]([C:5]([O:6][H:14])([H:12])[H:13])[H:10],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C3H4O2.CH4/c4-2-1-3-5;/h1,4H,2H2;1H4",88.04576,23.79243,
4140,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:8])([C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2",94.59371999999999,8.76572,
4141,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C@:5]([C:4]([H:10])([H:11])[H:13])([O:6][H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m0/s1",74.99835,-2.4170700000000003,
4142,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N:1](=[C:5](/[N:4]1[C:2]([H:7])=[C:3]1[H:8])[H:9])\[H:6],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)",InChI=1S/C3H4N2/c4-3-5-1-2-5/h1-4H/b4-3+,110.83398000000001,90.60961,
4143,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N+:1]1([H:6])([H:7])[C-:2]=[C:3]([H:8])[N:4]=[C:5]1[H:9],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-5-3-4-1/h1,3H,5H2",91.8462,83.8877,
4144,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N:1](=[C:2](/[C:3](=[N+:4]=[C-:5][H:9])[H:8])[H:7])\[H:6],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)",InChI=1S/C3H4N2/c1-5-3-2-4/h1-4H/b4-2+,67.33453,63.59956,
4145,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N:1]1([H:6])[C:2]([H:7])=[C:3]([H:8])[N:4]([H:9])[C:5]1,"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-2,4-5H",68.41441,28.55055,
4146,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[n:1]1([H:6])[c:2]([H:7])[c-:3][n:4]([H:8])[c+:5]1[H:9],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-5-3-4-1/h1,3-5H",84.86001999999999,49.023740000000004,
4147,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N:1]1=[C:5]([H:9])[N:4]=[C:3]([H:8])[C:2]1([H:6])[H:7],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-5-3-4-1/h1,3H,2H2",48.47815,17.04795,
4148,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N:1]1=[C:2]([H:7])[C:3]([H:8])=[N:4][C:5]1([H:6])[H:9],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-2H,3H2",47.94027,17.79814,
4149,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[H:7][H:9].[n:1]1([H:6])[c-:2][c:3]([H:8])[n+:4]#[c:5]1,"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)",InChI=1S/C3HN2.H2/c1-2-5-3-4-1;/h1H;1H/q-1;/p+1,162.04505,144.82746,
4150,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N:1](=[C:5]([N:4]=[C:3]=[C:2]([H:7])[H:8])[H:9])[H:6],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-5-3-4/h3-4H,1H2",101.4779,38.74427,
4151,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N:1]1([H:6])[C:2]([H:7])([H:8])[C-:3]=[N+:4]=[C:5]1[H:9],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-5-3-4-1/h3-4H,1H2",76.5735,68.26066999999999,Singlet_Carbene_Intra_Disproportionation
4152,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N+:1]1([H:6])=[C-:2][C:3]([H:7])([H:8])[N:4]=[C:5]1[H:9],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-5-3-4-1/h3,5H,1H2",60.55826,49.2946,Singlet_Carbene_Intra_Disproportionation
4153,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[N:6][C:5](=[O:4])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(2)5-3-6/h3H,1-2H3",62.35026,-3.86036,
4154,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([N+:6]#[C-:5])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(3-6)5-2/h4,6H,3H2,1H3/t4-/m0/s1",71.48989,17.53126,
4155,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:6][C:5]([H:10])([H:13])[O:4][C:3]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h2-3H2,1H3",100.5253,3.6265300000000003,
4156,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C:3](/[C:2](=[N:6]\[C:5](=[O:4])[H:13])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-2-3-5-4-6/h3-4H,2H2,1H3/b5-3-",69.87156,3.28985,
4157,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:11])([H:10])[H:12])([H:7])([H:8])[H:9].[C:5](#[N:6])[H:13],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C3H6O.CHN/c1-2-3-4;1-2/h3H,2H2,1H3;1H",78.67436,12.6405,
4158,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C@:2]([C:3]([O:4][H:9])([H:11])[H:12])([H:10])[N:6]=[C:5]1[H:13],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c6-3-4-1-2-5-4/h2,4,6H,1,3H2/t4-/m0/s1",111.73966999999999,29.65922,
4159,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:6]1[C:5](=[O:4])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1",58.449259999999995,14.213629999999998,ketoenol
4160,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](/[N:6]=[C:5](\[O+:4]=[C-:3][H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-3-5-4-6-2/h2,4H,3H2,1H3/b5-4-",86.1172,79.75986,
4161,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([N+:6]1=[C:5]([H:13])[O:4][C:3]([H:11])([H:12])[C-:2]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-5-2-3-6-4-5/h2,4H,3H2,1H3",109.28128000000001,59.544109999999996,
4162,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O+:4]=[C-:5][N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h4-5H,2H2,1H3/t4-/m0/s1",67.82824000000001,26.219309999999997,
4163,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]1[C:3]([H:11])([H:12])[O+:4]=[C:5]([H:13])[N:6]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3,5H,2H2,1H3",82.16328,55.54029,
4164,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]([H:12])[O+:4]=[C:5]([H:13])[N:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h2-5H,1H3/t4-/m0/s1",81.23229,62.820409999999995,
4165,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C@:5]1([H:13])[O:4][C:3]([H:11])([H:12])[C:2]([H:10])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2,4H,3H2,1H3/t4-/m0/s1",117.72742,5.54603,
4166,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1](=[C:2]([H:9])[H:10])([O:6][C:5]([C:4]([O:3][H:8])([H:11])[H:12])([H:13])[H:14])[H:7],InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,"InChI=1S/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2",81.3112,9.135710000000001,
4167,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,[C-:1]1=[O+:6][C:5]([H:13])([H:14])[C:4]([H:11])([H:12])[O:3][C:2]1([H:9])[H:10].[H:7][H:8],InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,InChI=1S/C4H6O2.H2/c1-2-6-4-3-5-1;/h1-3H2;1H,86.12597,71.22236,
4168,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:5](=[O:6])([H:13])[H:14].[O:3]=[C:4]([H:11])[H:12],InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,InChI=1S/C2H4.2CH2O/c3*1-2/h1-2H2;2*1H2,98.67206999999999,37.02762,
4169,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([C:5]([H:12])([H:13])[H:14])([H:11])[O:6]1,InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3",92.02813,-7.50557,
4170,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,[C-:1]1([H:7])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[O+:6]1.[H:8][H:14],InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,"InChI=1S/C4H6O2.H2/c1-2-6-4-3-5-1;/h1,3H,2,4H2;1H",85.95878,82.37241,
4171,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:6]1.[C:5]([H:13])[H:14],InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,InChI=1S/C3H6O2.CH2/c1-2-5-3-4-1;/h1-3H2;1H2,118.48358999999999,110.80393000000001,
4172,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]([C:2]([O:3][C:4]([C:5][H:14])([H:11])[H:12])([H:9])[H:10])([O:6][H:13])([H:7])[H:8],InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,"InChI=1S/C4H8O2/c1-2-6-4-3-5/h1,5H,2-4H2",90.09251,82.01375,
4173,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])=[C:2]([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1.[H:8][H:9],InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,"InChI=1S/C4H6O2.H2/c1-2-6-4-3-5-1;/h1-2H,3-4H2;1H",112.03013,23.97672,
4174,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([O:4][H:11])=[C:5]=[N:6][H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H5NO2/c4-1-3(6)2-5/h4-6H,2H2",87.7397,25.227929999999997,
4175,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C:5]=[N:6][O:4][H:11])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H5NO2/c5-3-1-2-4-6/h1,5-6H,3H2",104.0873,56.97835,
4176,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:5]#[N:6])([H:9])[H:10])[H:8].[O:4]([H:7])[H:11],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H3NO.H2O/c4-2-1-3-5;/h3H,1H2;1H2",72.53711,-0.97326,
4177,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[H:7][H:9].[O:1]=[C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])[H:8],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H3NO2.H2/c4-1-3(6)2-5;/h2-3,6H;1H/t3-;/m0./s1",88.44667,24.96942,
4178,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[H:7][H:10].[O:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:8])[H:9])[H:11],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H3NO2.H2/c4-1-3(6)2-5;/h5H,2H2;1H",81.12755,19.84552,
4179,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]([O:4][H:11])([N+:6]#[C-:5])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H5NO2/c1-4-3(6)2-5/h3,5-6H,2H2/t3-/m1/s1",54.407,18.75751,
4180,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[C:2](=[C:3]([O:4][H:11])[C:5]#[N:6])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H3NO.H2O/c1-3(5)2-4;/h5H,1H2;1H2",64.23853000000001,6.4724,"1,3_Insertion_ROR"
4181,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C@:3]([O:4][H:11])([H:10])/[C:5]1=[N:6]/[H:7],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m1/s1",74.01716,9.362119999999999,
4182,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]1([H:10])[C:5]([O:4][H:11])=[N:6]1)([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H5NO2/c5-1-2-3(6)4-2/h2,5H,1H2,(H,4,6)/t2-/m0/s1",91.54397,31.22891,
4183,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[C:5](#[N:6])[H:10].[O:1]([C:2]([C:3][O:4][H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C2H4O2.CHN/c3-1-2-4;1-2/h3-4H,1H2;1H",83.45111999999999,63.34839,
4184,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C@@:3]([C:5]#[N:6])([H:10])[O:4]1.[O:1]([H:7])[H:11],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H3NO.H2O/c4-1-3-2-5-3;/h3H,2H2;1H2/t3-;/m0./s1",74.74018000000001,23.455379999999998,
4185,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([N+:6]1([H:14])[C-:4]([H:11])[C:5]1([H:12])[H:13])[H:10],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c1-2-6(1)4-3-5-4/h1,4-6H,2-3H2/t4-/m0/s1",104.89908999999999,62.13496,
4186,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N+:2]([H:9])([H:10])[C-:3]1[C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3,5H,1-2,6H2/t3-/m1/s1",63.36858,48.53564,
4187,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]([N:2]([H:9])[H:11])(/[C:3](=[C:4]1\[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10])([H:7])[H:8],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c5-2-1-4-3-6-4/h1,6H,2-3,5H2/b4-1+",69.73175,-1.27985,
4188,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C-:1]1([H:8])[N+:2]([H:7])([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h1,3-4,6H,2,5H2/t3-,4-/m1/s1",65.29262,51.93663,
4189,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]([H:10])=[C:4]1[H:11].[C:5](=[N:6][H:14])([H:12])[H:13],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H5N.CH3N/c1-2-4-3-1;1-2/h1-2,4H,3H2;2H,1H2",106.25034,14.31836,
4190,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1](=[N:2][H:9])([H:7])[H:8].[C:3]([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H5N.CH3N/c1-3-2-4-3;1-2/h1,3-4H,2H2;2H,1H2/t3-;/m0./s1",91.21174,85.63951999999999,
4191,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C+:4]([N:6]([C-:5]([H:12])[H:13])[H:14])[H:11])[H:10],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c1-5-2-4-3-6-4/h2,4-6H,1,3H2/t4-/m0/s1",50.49818,28.828529999999997,
4192,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C:4][C:5]([N:6]([H:11])[H:14])([H:12])[H:13])[H:10],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c5-2-1-4-3-6-4/h4,6H,2-3,5H2/t4-/m0/s1",76.53796,56.71761,
4193,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])/[C:3]1=[C:4]1/[C:5]([H:12])([H:13])[N:6]1[H:14].[H:10][H:11],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6N2.H2/c1-3(5-1)4-2-6-4;/h5-6H,1-2H2;1H/b4-3-;",114.95933000000001,48.82038,
4194,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C:4]([N:6]([C:5][H:12])[H:14])([H:11])[H:13])[H:10],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c1-5-2-4-3-6-4/h1,4-6H,2-3H2/t4-/m0/s1",71.05438000000001,31.56295,
4195,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C:4]([N:6]=[C:5]([H:12])[H:13])([H:11])[H:14])[H:10],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c1-5-2-4-3-6-4/h4,6H,1-3H2/t4-/m0/s1",67.89581,-6.717339999999999,
4196,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C-:1]1([H:8])[N:2]([H:9])[C@:3]1([C+:4]1[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10].[H:7][H:11],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6N2.H2/c1-3(5-1)4-2-6-4;/h1,3,5-6H,2H2;1H/t3-;/m1./s1",136.61785,102.25838,
4197,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1(/[C:4](=[N:6]/[C:5]([H:12])([H:13])[H:14])[H:11])[H:10],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c1-5-2-4-3-6-4/h2,4,6H,3H2,1H3/b5-2+/t4-/m0/s1",62.714369999999995,-13.03704,
4198,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C:4](/[C:5](=[N:6]\[H:14])[H:12])([H:11])[H:13])[H:10],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c5-2-1-4-3-6-4/h2,4-6H,1,3H2/b5-2-/t4-/m0/s1",71.57760999999999,-13.343679999999999,
4199,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C:4][N:6]([C:5]([H:11])([H:12])[H:13])[H:14])[H:10],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c1-5-2-4-3-6-4/h4-6H,3H2,1H3/t4-/m0/s1",67.01647,23.77283,
4200,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]([N:2](/[C:3](=[C:4]1/[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10])[H:9])([H:7])([H:8])[H:11],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c1-5-2-4-3-6-4/h2,5-6H,3H2,1H3/b4-2-",104.89667,3.6497699999999997,
4201,[o:1]1[c:2]([H:6])[n:3][c:4]([H:7])[n:5]1,[O:1]=[C:2]([N:3]=[C:4]=[N:5][H:7])[H:6],InChI=1S/C2H2N2O/c1-3-2-5-4-1/h1-2H,InChI=1S/C2H2N2O/c3-1-4-2-5/h2-3H,52.40532,-16.23013,
4202,[o:1]1[c:2]([H:6])[n:3][c:4]([H:7])[n:5]1,[O:1]=[C:2]([N:3]1[C:4]([H:7])=[N:5]1)[H:6],InChI=1S/C2H2N2O/c1-3-2-5-4-1/h1-2H,InChI=1S/C2H2N2O/c5-2-4-1-3-4/h1-2H,65.25239,50.57196,ketoenol
4203,[o:1]1[c:2]([H:6])[n:3][c:4]([H:7])[n:5]1,[O:1]=[N:5][C@:4]1([H:7])[C:2]([H:6])=[N:3]1,InChI=1S/C2H2N2O/c1-3-2-5-4-1/h1-2H,InChI=1S/C2H2N2O/c5-4-2-1-3-2/h1-2H/t2-/m1/s1,102.59581999999999,69.31806,ketoenol
4204,[o:1]1[c:2]([H:6])[n:3][c:4]([H:7])[n:5]1,[O:1]([N:5]=[C:4]([N+:3]#[C-:2])[H:7])[H:6],InChI=1S/C2H2N2O/c1-3-2-5-4-1/h1-2H,"InChI=1S/C2H2N2O/c1-3-2-4-5/h2,5H",73.83845,42.266870000000004,
4205,[o:1]1[c:2]([H:6])[n:3][c:4]([H:7])[n:5]1,[C:2](#[N:3])[H:6].[O-:1][N+:5]#[C:4][H:7],InChI=1S/C2H2N2O/c1-3-2-5-4-1/h1-2H,InChI=1S/CHNO.CHN/c1-2-3;1-2/h1H;1H,71.87696,49.72721,
4206,[o:1]1[c:2]([H:6])[n:3][c:4]([H:7])[n:5]1,[o+:1]1[c-:2][n:3]([H:6])[c:4]([H:7])[n:5]1,InChI=1S/C2H2N2O/c1-3-2-5-4-1/h1-2H,"InChI=1S/C2H2N2O/c1-3-2-5-4-1/h1H,(H,3,4)",73.64017,29.325329999999997,
4207,[o:1]1[c:2]([H:6])[n:3][c:4]([H:7])[n:5]1,[C:4](#[N:5])[H:7].[O:1]=[C:2]=[N:3][H:6],InChI=1S/C2H2N2O/c1-3-2-5-4-1/h1-2H,InChI=1S/CHNO.CHN/c2-1-3;1-2/h2H;1H,71.75867,-22.03463,
4208,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C:2][N:6]([C:5]1([H:10])[C:3]([H:8])=[C:4]1[H:9])[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-3-5-4-1-2-4/h1-2,4-6H",133.34448,83.96978,
4209,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C:2](=[C:3]=[C:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])[H:8])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1,3-6H/b5-3+",70.73719,49.25974,
4210,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C@:2]1([H:11])[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])=[N:6]1)[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-4,6H/t4-/m1/s1",48.11789,19.74346,
4211,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C:2]1=[N:6][C:5]([H:10])([H:11])[C:4]([H:9])=[C:3]1[H:8])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)",44.57103,7.9105,
4212,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C:2]1=[C:3]([H:8])[C:4]([H:9])([H:10])[C:5][N:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h2,5-6H,1H2",57.915369999999996,49.10269,Singlet_Carbene_Intra_Disproportionation
4214,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C:2]1=[C:3]([H:8])[C:4]([H:9])=[C-:5][N+:6]1([H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2,6H,5H2",88.94148,80.52651999999999,
4215,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C+:2]1[C:3]([H:8])([H:9])[C-:4]=[C:5]([H:10])[N:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h3,5-6H,2H2",80.10768,71.83914,
4216,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C@@:3]1([H:8])[C:2][N:6]([H:11])[C:5]([H:10])=[C:4]1[H:9])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-2,4-6H/t4-/m1/s1",91.5504,62.728069999999995,
4217,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C:2][N:6]([C:5](=[C:4]=[C:3]([H:8])[H:9])[H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c1-2-3-5-4-6/h3,5-6H,1H2",130.31797,68.33279,
4218,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1](/[C:2]([C:3](=[C:4]=[C:5]([H:9])[H:10])[H:8])=[N:6]\[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c1-2-3-4(5)6/h3H,1H2,(H2,5,6)",94.37465,32.13477,
4219,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C@:2]1([H:8])[C-:3]=[C:4]([H:9])[C+:5]([H:10])[N:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3-6H/t4-/m1/s1",70.69869,68.21162,Singlet_Carbene_Intra_Disproportionation
4220,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C:2]1=[C-:3][C:4]([H:8])([H:9])[C+:5]([H:10])[N:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h3,5-6H,1H2",77.38956999999999,75.15598,
4221,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C+:2]1[C:3]([H:8])=[C-:4][C:5]([H:9])([H:10])[N:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h2,5-6H,3H2",66.44848,55.16251,Singlet_Carbene_Intra_Disproportionation
4222,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C:2]1=[C:3]([H:8])[C@:4]1(/[C:5](=[N:6]/[H:11])[H:10])[H:9])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h1-3,5-6H/b5-2+/t3-/m0/s1",104.04255,62.867230000000006,
4223,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C@:2]12[C:3]([H:8])=[C:4]([H:9])[C@@:5]1([H:10])[N:6]2[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3(4)5-4/h1-3,5-6H/t3-,4-/m1/s1",95.72704,75.47095,Intra_2+2_cycloaddition_Cd
4224,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)",59.765730000000005,-7.177510000000001,ketoenol
4225,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C@:2]1([H:9])[C:3]([H:8])=[C:4]=[C:5]([H:10])[N:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H",InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h2-6H/t4-/m1/s1,95.99338,74.23902,
4226,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]=[C:2]1[C:3]([H:8])=[C:4]([H:9])[C:5]([H:7])([H:10])[N:6]1[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)",98.51957,-7.12827,
4227,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[O:5][C:6]1([H:13])[H:14])([C:4][H:12])([H:7])[H:8],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h1,5H,2-4H2",113.26773,91.53341,
4228,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]2=[C:6]([H:14])[O:5][C:4]1([H:12])[C:3]2([H:10])[H:11].[H:9][H:13],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2/c1-4-2-5(1)6-3-4;/h3,5H,1-2H2;1H",117.34958,98.14493,
4229,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:8])=[C:2]([H:9])[C:3]([H:10])([H:11])[C:4]1([H:7])[H:12].[O:5]=[C:6]([H:13])[H:14],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C4H6.CH2O/c1-2-4-3-1;1-2/h1-2H,3-4H2;1H2",86.81974,20.42424,
4230,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]([C@@:2]1([H:9])[C:3]([H:11])=[C:4]([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:10],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2-3,5H,4H2,1H3/t5-/m0/s1",109.90222,-16.97213,
4231,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2][C:6]([H:13])([H:14])[O:5][C@:4]1([C:3]([H:9])([H:10])[H:11])[H:12],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,3-4H2,1H3/t5-/m0/s1",71.79500999999999,47.84903,
4232,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2][C:3]([H:10])([H:11])[C:4]1([O:5][C:6]([H:9])([H:13])[H:14])[H:12],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-6-5-3-2-4-5/h5H,3-4H2,1H3",84.96871,81.63619,
4233,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O+:5]=[C-:6]2.[H:13][H:14],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2/c1-4-2-5(1)6-3-4;/h4-5H,1-2H2;1H/t4-,5+;",87.3726,67.12203000000001,
4234,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([C:6]([O:5][H:12])([H:13])[H:14])([H:9])[C:3]([H:10])([H:11])[C:4]1,"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h5-6H,2-4H2",71.6047,62.88778000000001,
4235,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([C:6]([O+:5]=[C-:4][H:12])([H:13])[H:14])([H:9])[C:3]1([H:10])[H:11],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-6-4-5-2-3-5/h1,5H,2-4H2",120.50266,54.63993000000001,
4236,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[H:8][H:9].[O:1]([C:2](=[C:3]=[O:4])[C:5]#[N:6])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1",InChI=1S/C3HNO2.H2/c4-1-3(6)2-5;/h6H;1H,68.38319,32.886759999999995,
4237,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[C-:3]#[O+:4].[O:1]([C:2](=[C:5]=[N:6][H:9])[H:8])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1",InChI=1S/C2H3NO.CO/c3-1-2-4;1-2/h2-4H;,52.5964,23.52506,
4238,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([c:2]1[c:3]([H:9])[o:4][n:6][c:5]1[H:8])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C3H3NO2/c5-3-1-4-6-2-3/h1-2,5H",84.10221999999999,21.15515,
4239,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:2]([C:3](=[O:4])[H:9])=[C:5]=[N:6][H:8])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2,4,6H",78.04981,14.329,
4240,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:2](=[C:5]=[N:6][C:3](=[O:4])[H:9])[H:8])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C3H3NO2/c5-2-1-4-3-6/h2-3,5H",62.00475,24.94536,
4241,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C@@:2]([C:3](=[O:4])[H:9])([N+:6]#[C-:5])[H:8])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C3H3NO2/c1-4-3(6)2-5/h2-3,6H/t3-/m0/s1",50.08886,18.93743,
4242,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[H:7][H:8].[O:1]=[C:2]([C:3](=[O:4])[H:9])[C:5]#[N:6],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1",InChI=1S/C3HNO2.H2/c4-1-3(6)2-5;/h2H;1H,99.73348,30.208440000000003,
4243,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[O:1](/[C:2](=[C:3](\[O:4][H:7])[H:9])[C:5]#[N:6])[H:8],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2,5-6H/b3-2-",60.85977,-0.82252,ketoenol
4244,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[C:5](#[N:6])[H:9].[O:1]([C:2](=[C:3]=[O:4])[H:8])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C2H2O2.CHN/c3-1-2-4;1-2/h1,3H;1H",79.0879,29.3628,
4245,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]1[C@@:2]([C:5]#[N:6])([H:8])[C@@:3]1([O:4][H:7])[H:9],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C3H3NO2/c4-1-2-3(5)6-2/h2-3,5H/t2-,3-/m1/s1",55.08407,13.52255,
4246,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]=[C:2]([C:3]([O:4][H:7])([H:8])[H:9])[C:5]#[N:6],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C3H3NO2/c4-1-3(6)2-5/h5H,2H2",43.87088,-0.62712,
4247,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[O:5][C@@:6]21[H:12],[C:1](=[C:2]([C@@:6]1([H:12])[C@:4]([C:3][H:10])([H:11])[O:5]1)[H:9])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-3(1)5-4(2)6-5/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-3-5-4(2)6-5/h2-5H,1H2/t4-,5+/m1/s1",57.48891999999999,46.79189,
4248,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[O:5][C@@:6]21[H:12],[C:1]1([H:7])([H:8])[C:2][C@@:6]2([H:12])[C@@:4]([H:11])([C:3]1([H:9])[H:10])[O:5]2,"InChI=1S/C5H6O/c1-2-3(1)5-4(2)6-5/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h4-5H,1-2H2/t4-,5+/m1/s1",53.81086,25.05723,
4249,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[O:5][C@@:6]21[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C-:4]=[O+:5][C:6]2([H:11])[H:12],"InChI=1S/C5H6O/c1-2-3(1)5-4(2)6-5/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-4-2-6-3-5(1)4/h4-5H,1-2H2/t4-,5+/m1/s1",55.17331,-6.21155,
4250,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[O:5][C@@:6]21[H:12],[C:1]([C@:3]1([H:10])[C:2]([H:8])([H:9])[C@@:6]2([H:12])[C@:4]1([H:11])[O:5]2)[H:7],"InChI=1S/C5H6O/c1-2-3(1)5-4(2)6-5/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-3-2-4-5(3)6-4/h1,3-5H,2H2/t3-,4+,5-/m1/s1",63.42309,55.859930000000006,
4251,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[O:5][C@@:6]21[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@:4]2([O+:5]=[C-:6][H:12])[H:11],"InChI=1S/C5H6O/c1-2-3(1)5-4(2)6-5/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-6-5-3-2-4(3)5/h1,3-5H,2H2/t3-,4+,5-",68.86626,39.96542,
4252,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[O:5][C@@:6]21[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C:4][C@:6]2([O:5][H:11])[H:12],"InChI=1S/C5H6O/c1-2-3(1)5-4(2)6-5/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-6H,1H2/t3-,4-,5+/m0/s1",63.966,25.64003,
4253,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[O:5][C@@:6]21[H:12],[C:1]1([H:7])([H:8])[C:2][C@@:3]1([C@@:4]1([H:11])[O:5][C:6]1([H:9])[H:12])[H:10],"InChI=1S/C5H6O/c1-2-3(1)5-4(2)6-5/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-2-4(1)5-3-6-5/h4-5H,1,3H2/t4-,5+/m1/s1",69.89966,51.18992,
4254,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[C:2](=[C:3]([O:4][H:11])[H:10])([H:8])[H:9].[O:1]([C:5](=[O:6])[H:12])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C2H4O.CH2O2/c1-2-3;2-1-3/h2-3H,1H2;1H,(H,2,3)",62.01936,1.1925,
4255,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C@:3]([O:4][H:11])([H:10])[C@:5]1([O:6][H:7])[H:12],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H6O3/c4-2-1-6-3(2)5/h2-5H,1H2/t2-,3+/m1/s1",50.73002,13.38086,
4256,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5][O:6][H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H6O3/c4-1-3(6)2-5/h3-6H,1H2/t3-/m1/s1",80.58799,53.07209,
4257,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])[H:9].[O:1]([H:7])[H:8],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H4O2.H2O/c1-3(5)2-4;/h1-3,5H;1H2/t3-;/m1./s1",82.04799999999999,6.1681,
4258,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:8])([H:9])[H:10].[O:1]([H:7])[H:11],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H4O2.H2O/c1-3(5)2-4;/h2H,1H3;1H2",76.01505999999999,5.82377,
4259,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2](/[C:3]([O:4][H:10])=[C:5](/[O:6][H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,4-6H,2H2/b3-1-",66.42315,8.24282,ketoenol
4260,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]1([H:10])[O:4][C@@:5]1([O:6][H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H6O3/c4-1-2-3(5)6-2/h2-5H,1H2/t2-,3+/m1/s1",54.74061999999999,17.36279,
4261,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:11])([H:10])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2",41.62786,-3.23292,
4262,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[C:3](\[O:4][H:11])(=[C:5](\[O:6][H:7])[H:12])[H:10].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1",InChI=1S/C2H4O2.CH2O/c3-1-2-4;1-2/h1-4H;1H2/b2-1-;,38.20382,26.97845,Retroene
4263,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C@@:3]1([C:5](=[O:6])[H:12])[H:10].[O:4]([H:7])[H:11],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H4O2.H2O/c4-1-3-2-5-3;/h1,3H,2H2;1H2/t3-;/m0./s1",76.42520999999999,25.80422,
4264,[C:1]([C:2]([C:3]#[C:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C-:3]=[C:4]([H:11])[C:6]([H:12])=[C+:5]1)([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-4-6(3)5-2/h1-2,6H,3H3","InChI=1S/C6H6/c1-6-4-2-3-5-6/h2-3,6H,1H3",81.01471,59.8312,
4265,[C:1]([C:2]([C:3]#[C:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:4][H:11])[H:10])[C:5]#[C:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-4-6(3)5-2/h1-2,6H,3H3","InChI=1S/C6H6/c1-4-6(3)5-2/h1-2,4H,3H3/b6-4-",71.56101,53.62988000000001,
4266,[C:1]([C:2]([C:3]#[C:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:3]([C:2]([C:5]#[C:6][H:12])([H:9])[H:10])=[C:4]1[H:11],"InChI=1S/C6H6/c1-4-6(3)5-2/h1-2,6H,3H3","InChI=1S/C6H6/c1-2-3-6-4-5-6/h1,4H,3,5H2",107.42505,15.298979999999998,
4267,[C:1]([C:2]([C:3]#[C:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]#[C:4][H:11])([C:6](=[C:5])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-4-6(3)5-2/h1-2,6H,3H3","InChI=1S/C6H6/c1-4-6(3)5-2/h1,5-6H,3H3/t6-/m0/s1",59.72956,48.60263,Singlet_Carbene_Intra_Disproportionation
4268,[C:1]([C:2]([C:3]#[C:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C:4][H:11])[C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-4-6(3)5-2/h1-2,6H,3H3","InChI=1S/C6H6/c1-4-6(3)5-2/h1,3,5H,2H3/b6-5+",83.29971,53.51588,
4269,[C:1]([C:2]([C:3]#[C:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3](=[C:4]([H:11])[H:12])[C:5]1=[C:6])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-4-6(3)5-2/h1-2,6H,3H3","InChI=1S/C6H6/c1-4-5(2)6(4)3/h5H,1H2,2H3/t5-/m0/s1",100.7541,44.69915,
4270,[C:1]([C:2]([C:3]#[C:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:6](=[C:5]=[C:2]([C:3]#[C:4][H:11])[H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-4-6(3)5-2/h1-2,6H,3H3","InChI=1S/C6H6/c1-3-5-6-4-2/h1,4-5H,2H3",89.59228,-6.7739199999999995,
4271,[C:1]([C:2]([C:3]#[C:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]#[C:4][H:11])=[C:5]=[C:6]([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-4-6(3)5-2/h1-2,6H,3H3","InChI=1S/C6H6/c1-4-6(3)5-2/h1H,2H2,3H3",73.86478000000001,-7.135269999999999,
4272,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[C:6]([H:11])[H:16])([H:14])[H:15],"InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3","InChI=1S/C3H6.C3H4/c2*1-3-2/h3H,1H2,2H3;1-2H2",58.42298,19.751910000000002,Retroene
4273,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:5]=[C:6]([H:14])[H:16])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3","InChI=1S/C6H10/c1-3-5-6-4-2/h5H,1,4,6H2,2H3",79.93312,-1.59436,
4274,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](/[C:4](=[C:5](\[C:6][H:16])[H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3","InChI=1S/C6H10/c1-3-5-6-4-2/h1,3,5H,4,6H2,2H3/b5-3-",77.87080999999999,59.96241,
4275,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:14])([H:15])[C:5]1=[C:6]([H:13])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3","InChI=1S/C6H10/c1-3-6-4-5(6)2/h6H,2-4H2,1H3/t6-/m0/s1",95.01789000000001,2.9941400000000002,
4276,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@@:2]2([H:10])[C@:3]1([H:11])[O:4][C@:5]2([C:6]([H:14])([H:15])[H:16])[H:13].[H:8][H:12],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H8O.H2/c1-3-4-2-5(4)6-3;/h3-5H,2H2,1H3;1H/t3-,4+,5+;/m0./s1",113.36616000000001,40.95707,
4277,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:5](\[C:6]([H:14])([H:15])[H:16])[H:13])[H:10])([H:7])([H:8])[H:9].[C:3](=[O:4])([H:11])[H:12],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3-4H,1-2H3;1H2/b4-3-;",62.4473,9.16198,2+2_cycloaddition
4278,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4]1)([H:7])([H:8])[H:9].[C:5]([C:6]([H:14])([H:15])[H:16])[H:13],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C3H6O.C2H4/c1-3-2-4-3;1-2/h3H,2H2,1H3;1H,2H3/t3-;/m0./s1",115.42393,101.99096999999999,
4279,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[C@@:5]([O:4][H:10])([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-4(2)5(3)6/h5-6H,1H2,2-3H3/t5-/m0/s1",93.07743,-10.334480000000001,
4280,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[O:4]=[C:5]([C:6]([H:14])([H:15])[H:16])[H:13],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2H,1H3",63.68151999999999,1.4814,2+2_cycloaddition
4281,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([C@@:5]([O:4][H:8])([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[C:3]1([H:11])[H:12],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1",103.54804,-2.57718,
4282,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH4/c1-4-2-3-5-4;/h4H,3H2,1H3;1H4/t4-;/m0./s1",94.88396999999999,95.3578,
4283,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:5]([O+:4]=[C-:3][H:12])([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h3,5H,4H2,1-2H3/t5-/m0/s1",83.67635,48.80578,
4284,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3][H:11])([C@@:5]([O:4][H:12])([C:6]([H:14])([H:15])[H:16])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-4(2)5(3)6/h1,4-6H,2-3H3/t4-,5+/m1/s1",77.77263,74.78053,
4285,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]=[O+:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H8O.H2/c1-4-3-6-5(4)2;/h4-5H,1-2H3;1H/t4-,5-;/m0./s1",84.69275999999999,66.37615,
4286,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2]([C:3]([O:4][H:10])([H:11])[H:12])=[C:5](/[C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3/b5-3-",93.08424000000001,-6.62133,
4287,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5][C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h5-6H,4H2,1-2H3/t5-/m1/s1",74.00177,60.247119999999995,
4288,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:4][H:16])([H:11])[H:12])([C:5](=[C:6]([H:14])[H:15])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3/t5-/m1/s1",61.600590000000004,-5.665719999999999,
4289,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:5](=[C:6]([H:14])[H:15])[H:13])[C:3]([H:11])([H:12])[O:4]1)([H:7])([H:8])[H:9].[H:10][H:16],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H8O.H2/c1-3-5(2)4-6-5;/h3H,1,4H2,2H3;1H/t5-;/m1./s1",125.74771000000001,29.810679999999998,
4290,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:5]([O:4][C:3]([H:10])([H:11])[H:12])([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h5H,1-3H3/t5-/m0/s1",87.27387,71.50538,
4291,[N:1]([C:2]([C:3](=[N+:4]=[N-:5])[H:9])=[O:6])([H:7])[H:8],[N:1]1([H:7])[C@@:2]([C:3](=[N+:4]=[N-:5])[H:9])([H:8])[O:6]1,"InChI=1S/C2H3N3O/c3-2(6)1-5-4/h1H,(H2,3,6)","InChI=1S/C2H3N3O/c3-4-1-2-5-6-2/h1-2,5H/t2-/m0/s1",133.18204,78.34424,
4292,[N:1]([C:2]([C:3](=[N+:4]=[N-:5])[H:9])=[O:6])([H:7])[H:8],[N:1]([C:2](=[C:3]=[N+:4]=[N-:5])[O:6][H:9])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2(6)1-5-4/h1H,(H2,3,6)","InChI=1S/C2H3N3O/c3-2(6)1-5-4/h6H,3H2",53.851780000000005,27.35807,ketoenol
4293,[N:1]([C:2]([C:3](=[N+:4]=[N-:5])[H:9])=[O:6])([H:7])[H:8],[N:1]([C:2]([C:3]#[N+:4][N-:5][H:9])=[O:6])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2(6)1-5-4/h1H,(H2,3,6)","InChI=1S/C2H3N3O/c3-2(6)1-5-4/h4H,(H2,3,6)",87.16842,30.368990000000004,
4294,[N:1]([C:2]([C:3](=[N+:4]=[N-:5])[H:9])=[O:6])([H:7])[H:8],[N:1](=[C:2](\[C-:3]([N+:4]#[N:5])[H:9])[O:6][H:7])\[H:8],"InChI=1S/C2H3N3O/c3-2(6)1-5-4/h1H,(H2,3,6)","InChI=1S/C2H3N3O/c3-2(6)1-5-4/h1H,(H2,3,6)",43.63957,11.6243,ketoenol
4295,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[n:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)",40.66167,-8.02685,ketoenol
4296,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]1([H:10])[N:3]=[C:4]([H:8])[C:5]([H:9])=[N:6]1)[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-3,6H",54.73604,27.969790000000003,
4298,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]1=[N:3][C:4]([H:8])=[C-:5][N+:6]1([H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1H,5H2,(H,4,6)",92.05341999999999,83.66778000000001,
4299,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C@:5]1([H:9])[C:4]([H:8])=[N+:3]=[C-:2][N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1,3,5-6H/t3-/m1/s1",139.96005,66.20668,
4300,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]1=[N:3][C:4]([H:8])([H:9])[C-:5]=[N+:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h5H,1H2,(H,4,6)",56.9079,44.83426,Singlet_Carbene_Intra_Disproportionation
4301,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C-:2]=[N+:3]=[C:4](/[C:5](=[N:6]\[H:10])[H:9])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c4-1-2-5-3-6/h1-2,4,6H/b4-1-",80.65424,68.35056,
4302,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C@@:2]12[N:3]=[C:4]([H:8])[C@:5]1([H:9])[N:6]2[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-2(5-3)1-4-3/h1-2,5-6H/t2-,3+/m0/s1",89.81116,80.07271999999999,
4303,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]1=[N:6][C:5]([H:9])([H:10])[C:4]([H:8])=[N:3]1)[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1H,2H2,(H,5,6)",48.58556,12.61267,
4304,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]1=[N+:3]=[C-:4][C:5]([H:8])([H:9])[N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h4,6H,1H2",70.96158,57.131719999999994,Singlet_Carbene_Intra_Disproportionation
4305,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1](/[C:2]([N:3]1[C:4]([H:8])=[C:5]1[H:9])=[N:6]\[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c4-3(6)5-1-2-5/h1-2H,(H2,4,6)",108.68143,82.99516,
4306,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([c+:2]1[n:3]([H:8])[c-:4][c:5]([H:9])[n:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1,4-6H",86.13946,56.2503,
4307,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]([N:3]=[C:4]=[C:5]([H:8])[H:9])=[N:6][H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c1-2-5-3(4)6/h1H2,(H2,4,6)",94.45881,32.788070000000005,
4308,[C:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:5])([H:6])[H:7],[C:1]([C:2]([C:4](=[C:3]([H:9])[H:10])[H:12])([H:8])[H:11])([H:5])([H:6])[H:7],"InChI=1S/C4H8/c1-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3",84.10955,-4.5834,
4309,[C:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:5])([H:6])[H:7],[C:1]([H:5])([H:6])([H:7])[H:8].[C:2]1[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12],"InChI=1S/C4H8/c1-4-2-3-4/h4H,2-3H2,1H3",InChI=1S/C3H4.CH4/c1-2-3-1;/h1-2H2;1H4,97.85199,89.8126,
4310,[C:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:5])([H:6])[H:7],[C:1]([C:2][C:3]([C:4]([H:8])([H:11])[H:12])([H:9])[H:10])([H:5])([H:6])[H:7],"InChI=1S/C4H8/c1-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8/c1-3-4-2/h3H2,1-2H3",68.07644,64.70849,
4311,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@:6]12[H:16].[O:1]([H:7])[H:15],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C5H8.H2O/c1-2-5-3-4(1)5;/h4-5H,1-3H2;1H2/t4-,5+;",105.78605,16.94213,
4312,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[C:4]([C:5]([C:6]([H:7])([H:15])[H:16])([H:13])[H:14])[H:12])([H:10])[H:11].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3H,1,4H2,2H3;1H2",62.12911999999999,11.290239999999999,
4313,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[C:4]1([H:7])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16].[O:1]=[C:2]([C:3]([H:9])([H:10])[H:11])[H:8],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C3H6.C2H4O/c1-2-3-1;1-2-3/h1-3H2;2H,1H3",97.72378,8.4941,
4314,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:9])([H:10])[H:11].[O:1]([C:2][H:8])[H:7],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C4H8.CH2O/c1-4-2-3-4;1-2/h4H,2-3H2,1H3;1-2H",86.48173,73.82058,
4315,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4][C:6]([C:5]([H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,2,4-5H2,1H3",65.45949,61.47571,
4316,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2](=[C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:11])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C5H8.H2O/c1-2-5-3-4-5;/h2,5H,1,3-4H2;1H2",68.72419000000001,10.0296,"1,3_Insertion_ROR"
4317,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C@:4]([C:5]([H:13])([H:14])[H:16])([C:6][H:15])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-5(2)3-4-6/h1,5-6H,3-4H2,2H3/t5-/m0/s1",70.96791,67.15795,
4318,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[C:4]1[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11].[H:7][H:12].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2",InChI=1S/C4H6.CH2O.H2/c1-4-2-3-4;1-2;/h1-3H2;1H2;1H,94.59628000000001,55.52995,
4319,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([O:6][C:5]([C:2][C:3]([O:4][H:12])([H:10])[H:11])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h5H,3-4H2,1H3",114.07388,80.64008000000001,
4320,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1([O:6][H:12])[C:3]([H:10])([H:11])[O:4][C:5]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3",76.30745,0.75084,
4321,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:5]([O+:6]=[C-:2][C:3]([O:4][H:12])([H:10])[H:11])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h5H,2-3H2,1H3",106.02886000000001,38.78326,
4322,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2][C:5]([O:6][C:3]([O:4][H:12])([H:10])[H:11])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-3-6-4-5/h5H,3-4H2,1H3",105.65624,73.78352,
4323,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@:2]([C:3](=[O:4])[H:11])([C:5]([O:6][H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1",48.413940000000004,-17.99576,
4324,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5][H:14])[O:6][H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-4(2,6)3-5/h1,5-6H,3H2,2H3/t4-/m1/s1",72.88373,69.21757,
4325,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@:2]([C:3]([O:4][H:12])([H:10])[H:11])([O+:6]=[C-:5][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h2,4-5H,3H2,1H3/t4-/m1/s1",78.60493000000001,48.6739,
4326,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:6][C:5]([C:3]([O:4][H:12])([H:10])[H:11])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h5H,3-4H2,1H3",99.80358000000001,36.75544,
4327,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([O:4][H:12])([H:10])[H:11])[H:8])([H:7])[H:9].[C:5](=[O:6])([H:13])[H:14],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2,4H,1,3H2;1H2",82.18696,14.486479999999998,
4328,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([N:6]=[C:5]=[C:2]([C:3]([H:10])([H:11])[H:12])[O:4][H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3","InChI=1S/C4H7NO/c1-4(6)3-5-2/h6H,1-2H3",102.69775,34.7917,
4329,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:5]([O:4][H:13])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3","InChI=1S/C4H7NO/c1-4(2)3(6)5-4/h1-2H3,(H,5,6)",82.26302,29.7493,
4330,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:5]=[N-:6])([H:7])([H:8])[H:9].[C:3]([O:4][H:13])([H:10])([H:11])[H:12],"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3","InChI=1S/C3H3N.CH4O/c1-2-3-4;1-2/h1H3;2H,1H3",114.39173000000001,95.24325,
4331,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[O:4])([H:7])([H:8])[H:9].[C:5]=[N:6][H:13],"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3",InChI=1S/C3H6O.CHN/c1-3(2)4;1-2/h1-2H3;2H,54.51278000000001,25.92057,
4332,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([O:4][H:13])[C:3]([H:10])([H:12])/[C:5]1=[N:6]\[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3","InChI=1S/C4H7NO/c1-4(6)2-3(4)5/h5-6H,2H2,1H3/b5-3+/t4-/m1/s1",107.70363,36.64377,
4333,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:2][O:4][H:13])([H:7])([H:8])[H:9].[C:3]([C:5]#[N:6])([H:10])([H:11])[H:12],"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3","InChI=1S/C2H3N.C2H4O/c2*1-2-3/h1H3;3H,1H3",82.70914,59.8093,
4334,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[N+:6]#[C-:5])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3","InChI=1S/C4H7NO/c1-4(2,6)5-3/h6H,1-2H3",53.324040000000004,16.99294,
4335,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],[C:1]([C-:2]([N+:4]1=[C:6]([H:16])[C:5]1([H:14])[H:15])[H:10])([H:7])([H:8])[H:9].[C:3]([H:11])([H:12])([H:13])[H:17],"InChI=1S/C5H11N/c1-5(2)6-3-4-6/h5H,3-4H2,1-2H3","InChI=1S/C4H7N.CH4/c1-2-5-3-4-5;/h2-3H,4H2,1H3;1H4",89.74851,60.402609999999996,
4336,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[N+:4]1[C-:5]([H:15])[C:6]1([H:16])[H:17])([H:7])([H:8])[H:9].[H:10][H:14],"InChI=1S/C5H11N/c1-5(2)6-3-4-6/h5H,3-4H2,1-2H3","InChI=1S/C5H9N.H2/c1-5(2)6-3-4-6;/h3H,4H2,1-2H3;1H",80.41268000000001,67.84634,
4337,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:5]([N:4]=[C:6]([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-5(2)6-3-4-6/h5H,3-4H2,1-2H3","InChI=1S/C5H11N/c1-5(2)4-6-3/h5H,3-4H2,1-2H3",97.21713000000001,-13.03004,
4338,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[H:10])([H:8])[H:9].[H:7][H:17].[N:4]1=[C:6]([H:16])[C:5]1([H:14])[H:15],"InChI=1S/C5H11N/c1-5(2)6-3-4-6/h5H,3-4H2,1-2H3","InChI=1S/C3H6.C2H3N.H2/c1-3-2;1-2-3-1;/h3H,1H2,2H3;1H,2H2;1H",91.3024,55.470259999999996,
4339,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N+:4]1([H:15])[C-:5]([H:14])[C:6]1([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-5(2)6-3-4-6/h5H,3-4H2,1-2H3","InChI=1S/C5H11N/c1-5(2)6-3-4-6/h3,5-6H,4H2,1-2H3",66.17525,52.40755,
4340,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N+:4]([C-:5]([H:14])[H:15])=[C:6]([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-5(2)6-3-4-6/h5H,3-4H2,1-2H3","InChI=1S/C5H11N/c1-5(2)6(3)4/h5H,3-4H2,1-2H3",49.5663,25.50369,
4341,[c:1]1([H:7])[n:2][c:3]([H:8])[n:4][c:5]([H:9])[n:6]1,[C:1](#[N:6])[H:7].[N:2]#[C:3][H:8].[N:4]#[C:5][H:9],InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H,InChI=1S/3CHN/c3*1-2/h3*1H,94.77098000000001,40.846470000000004,
4342,[c:1]1([H:7])[n:2][c:3]([H:8])[n:4][c:5]([H:9])[n:6]1,[C:1]1([H:7])=[N+:2]=[C-:3][N:4]=[C:5]([H:9])[N:6]1[H:8],InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H,"InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-2H,(H,4,5)",112.6524,70.04065,
4343,[c:1]1([H:7])[n:2][c:3]([H:8])[n:4][c:5]([H:9])[n:6]1,[C:1]12([H:7])[N:2]=[C:3]([H:8])[N:4]1[C:5]([H:9])=[N:6]2,InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H,InChI=1S/C3H3N3/c1-4-3-5-2-6(1)3/h1-3H,82.97166,72.17051,
4344,[C:1]([C:2]([O:3][C:4]([H:10])([H:11])[H:12])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2](=[O+:3][C-:4]([H:11])[H:12])[H:9])([H:5])([H:6])[H:7].[H:8][H:10],"InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3","InChI=1S/C3H6O.H2/c1-3-4-2;/h3H,2H2,1H3;1H",83.26895,82.87377,
4345,[C:1]([C:2]([O:3][C:4]([H:10])([H:11])[H:12])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1](=[C:2]([H:8])[H:9])([H:5])[H:7].[H:6][H:10].[O:3]=[C:4]([H:11])[H:12],"InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3",InChI=1S/C2H4.CH2O.H2/c2*1-2;/h1-2H2;1H2;1H,77.51867,39.98279,
4346,[C:1]([C:2]([O:3][C:4]([H:10])([H:11])[H:12])([H:8])[H:9])([H:5])([H:6])[H:7],[C-:2](=[O+:3][C:4]([H:10])([H:11])[H:12])[H:9].[C:1]([H:5])([H:6])([H:7])[H:8],"InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3","InChI=1S/C2H4O.CH4/c1-3-2;/h1H,2H3;1H4",84.49749,63.2894,
4347,[C:1](#[C:2][C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](#[C:2][C:3](/[C:4](=[C:5](\[C:6][H:12])[H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2","InChI=1S/C6H6/c1-3-5-6-4-2/h1-3,5H,6H2/b5-3-",79.02896,60.944419999999994,
4348,[C:1](#[C:2][C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](#[C:2][C:3]([C:4](=[C:5]=[C:6]([H:10])[H:12])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2","InChI=1S/C6H6/c1-3-5-6-4-2/h1,6H,2,5H2",80.99063000000001,-0.6235,
4349,[C:1](#[C:2][C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](=[C:2]=[C:3]([H:8])[H:9])([C:6](=[C:5]=[C:4]([H:10])[H:11])[H:12])[H:7],"InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2","InChI=1S/C6H6/c1-3-5-6-4-2/h5-6H,1-2H2",41.1533,-4.0916,6_membered_central_C-C_shift
4350,[C:1](#[C:2][C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](=[C:2]1[C:3]([H:8])([H:9])[C@@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])[H:10],"InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2","InChI=1S/C6H6/c1-3-6-4-5(6)2/h1,6H,2,4H2/t6-/m0/s1",89.38417,3.83373,
4351,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]([C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h4-5H,1-2H2/t4-/m1/s1",81.51326,51.961659999999995,
4352,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]1[C:2]([H:7])([H:11])[C@@:3]1([C:4]([C:5](=[O:6])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1",76.3381,-0.28974,
4353,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]=[C:2]([C:4]1([H:9])[C:3]([H:8])([H:10])[O:6][C:5]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2",93.04805,1.44734,
4354,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]1[C:2]([H:7])=[C:3]([H:8])[O:6][C:5]([H:11])([H:12])[C:4]1([H:9])[H:10],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c1-2-6-4-3-5-1/h1-2H,3-4H2",82.20115,-5.31237,ketoenol
4355,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]=[C:2]([O:6][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2",78.89663,-12.50937,
4356,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:3]1([H:8])=[C:4]([H:10])[C:5]([H:11])([H:12])[O:6]1.[H:7][H:9].[O+:1]#[C-:2],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C3H4O.CO.H2/c1-2-4-3-1;1-2;/h1-2H,3H2;;1H",78.11825999999999,31.594990000000003,
4357,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]1[C:2]([H:7])([H:8])[C@@:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]2,"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1",InChI=1S/C4H6O2/c1-2-5-4(1)3-6-4/h1-3H2/t4-/m1/s1,58.0748,12.23207,
4358,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]=[C:2]([C@@:3]([C:4](=[C:5]([H:11])[H:12])[H:9])([O:6][H:10])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h2-4,6H,1H2/t4-/m1/s1",95.02367,-9.165569999999999,
4359,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1](/[C:2](=[C:3]1\[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7])[H:8],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3,5H,1-2H2/b4-3+",69.86565999999999,7.26779,ketoenol
4360,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O+:1](=[C-:2][H:7])[C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c1-5-4-2-3-6-4/h1,4H,2-3H2/t4-/m1/s1",104.26503000000001,58.435869999999994,
4361,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]=[C:2](/[C:3](=[C:4](/[C:5]([O:6][H:9])([H:11])[H:12])[H:10])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1-3,6H,4H2/b2-1+",90.49054,-11.5839,
4362,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]=[C:2]([C@@:3]([C:4]([H:9])([H:10])[H:11])([O+:6]=[C-:5][H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(3-5)6-2/h2-4H,1H3/t4-/m1/s1",85.35297,42.43717,
4363,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]([C@:2]1([H:7])[C@:3]2([H:8])[C:4]([H:9])([H:10])[C@@:5]1([H:12])[O:6]2)[H:11],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2/t2-,3+,4+",108.4499,35.15805,
4364,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O+:1](=[C-:2][H:7])[C:4]1([H:9])[C:3]([H:8])([H:10])[O:6][C:5]1([H:11])[H:12],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c1-5-4-2-6-3-4/h1,4H,2-3H2",126.22323,66.11451,
4365,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O-:1][C:2](=[C:3]=[O+:6][C:5]([C:4]([H:8])([H:9])[H:10])([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c1-2-6-4-3-5/h3H,2H2,1H3",78.06141,41.18821,
4366,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O-:1][C:2](=[C+:3][C:4]([C:5]([O:6][H:8])([H:11])[H:12])([H:9])[H:10])[H:7],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h4-5H,1,3H2",68.67397,59.46921999999999,
4367,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[O:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:9],"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","InChI=1S/C2H6O2.C2H4/c3-1-2-4;1-2/h3-4H,1-2H2;1-2H2",67.82639,17.56534,"1,3_Insertion_ROR"
4368,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([O+:3]=[C:4]([C:5]([O:6][H:16])([H:14])[H:15])[H:13])[H:11])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","InChI=1S/C4H8O2.H2/c1-2-6-4-3-5;/h2,4-5H,3H2,1H3;1H",83.67318,83.32123,
4369,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]1([H:12])([H:13])[C:5]([H:14])([H:15])[O:6]1,"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","InChI=1S/C2H4O.C2H6O/c1-2-3-1;1-2-3/h1-2H2;3H,2H2,1H3",77.02892,28.078740000000003,
4370,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][O:6][H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13],"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","InChI=1S/C2H6O2.C2H4/c1-2-4-3;1-2/h3H,2H2,1H3;1-2H2",142.81593999999998,71.1061,
4371,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[H:15][H:16],"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","InChI=1S/C4H8O2.H2/c1-2-6-4-3-5;/h3H,2,4H2,1H3;1H",89.55685,20.96067,
4372,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([H:12])([H:13])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([O:6][H:16])[H:14],"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","InChI=1S/C3H8O.CH2O/c1-3-4-2;1-2/h3H2,1-2H3;1-2H",87.12307,77.26552,
4373,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([C:5](=[O:6])[H:14])([H:12])([H:13])[H:15],"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","InChI=1S/C2H6O.C2H4O/c2*1-2-3/h3H,2H2,1H3;2H,1H3",72.06293000000001,1.4049200000000002,
4374,[N:1](=[C:2]1/[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5]1)\[H:6],[N:1]#[C:2][C:3]([C:4]([O:5][H:6])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5NO/c4-3-1-2-5-3/h4H,1-2H2/b4-3-","InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2",66.37513,-12.10012,
4375,[N:1](=[C:2]1/[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5]1)\[H:6],[H:6][H:8].[N-:1]=[C:2]1[C+:3]([H:7])[C:4]([H:9])([H:10])[O:5]1,"InChI=1S/C3H5NO/c4-3-1-2-5-3/h4H,1-2H2/b4-3-","InChI=1S/C3H3NO.H2/c4-3-1-2-5-3;/h1H,2H2;1H",130.90628999999998,118.53235,
4376,[N:1](=[C:2]1/[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5]1)\[H:6],[C:3](=[C:4]([H:9])[H:10])([H:7])[H:8].[N:1](=[C:2]=[O:5])[H:6],"InChI=1S/C3H5NO/c4-3-1-2-5-3/h4H,1-2H2/b4-3-",InChI=1S/C2H4.CHNO/c1-2;2-1-3/h1-2H2;2H,53.55855,-7.02659,2+2_cycloaddition
4377,[N:1](=[C:2]1/[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5]1)\[H:6],[N:1]([C:2]1=[C:3]([H:7])[C:4]([H:9])([H:10])[O:5]1)([H:6])[H:8],"InChI=1S/C3H5NO/c4-3-1-2-5-3/h4H,1-2H2/b4-3-","InChI=1S/C3H5NO/c4-3-1-2-5-3/h1H,2,4H2",84.76382,17.22072,
4378,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15],[C:1](=[C:2]([H:8])[H:9])([C:5]([H:7])([H:14])[H:15])[H:6].[C:3](=[C:4]([H:12])[H:13])([H:10])[H:11],InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,"InChI=1S/C3H6.C2H4/c1-3-2;1-2/h3H,1H2,2H3;1-2H2",113.01568,35.73679,
4379,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15],[C:1]1([H:6])([H:7])[C:2]([C:3]([C:4]([H:8])([H:12])[H:13])([H:10])[H:11])([H:9])[C:5]1([H:14])[H:15],InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,"InChI=1S/C5H10/c1-2-5-3-4-5/h5H,2-4H2,1H3",133.65169,19.134829999999997,
4380,[n:1]1([H:6])[n:2][c:3]([H:7])[c:4]([H:8])[n:5]1,[n:1]1[n:2]([H:6])[c:3]([H:7])[c:4]([H:8])[n:5]1,"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)",51.56555,4.94285,
4381,[n:1]1([H:6])[n:2][c:3]([H:7])[c:4]([H:8])[n:5]1,[C:4](#[N:5])[H:8].[N-:1]([N+:2]#[C:3][H:7])[H:6],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)",InChI=1S/CH2N2.CHN/c1-3-2;1-2/h1-2H;1H,83.89875,61.00339,
4382,[n:1]1([H:6])[n:2][c:3]([H:7])[c:4]([H:8])[n:5]1,[N:1]1([H:6])[N-:2][C:3]([H:7])=[C+:4][N:5]1[H:8],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-2-4-5-3-1/h1,4-5H",82.33853,54.3604,
4383,[n:1]1([H:6])[n:2][c:3]([H:7])[c:4]([H:8])[n:5]1,[N:1](=[N:2][C:3](=[C:4]=[N:5][H:8])[H:7])[H:6],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)",InChI=1S/C2H3N3/c3-1-2-5-4/h2-4H,82.35388,41.78582,
4384,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]([c:2]1[n:3]([H:7])[c:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:8],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H",107.87111000000002,7.05675,
4385,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[H:10][H:11].[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]#[C:6]1,"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H3NO.H2/c6-4-2-1-3-5-4;/h3H2,(H,5,6);1H",122.59745,115.35477,
4386,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]1/[C:2](=[C:6](/[C:5](=[C:4]([H:8])[H:9])[H:10])[H:11])[N:3]1[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-4-5-6-4/h2-3,5H,1H2/b4-3+",108.01834,92.35658000000001,
4387,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]=[C:2]([N:3]([C:4]([H:8])([H:9])[H:10])[H:7])[C:6](=[C:5])[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-3-4(6)5-2/h3H,2H3,(H,5,6)",88.95742,82.11391,
4388,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]=[C:2]=[N:3][C:4]([C:5](=[C:6]([H:7])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2",87.87552,13.6742,
4389,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]([C+:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C-:5]=[C:6]1[H:11])[H:10],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h2,5-6H,3H2",154.97608,62.246109999999994,
4390,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]1[C@@:5]2([H:10])[C:4]([H:8])([H:9])[N:3]([H:7])[C:2][C@@:6]12[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-3-4(6-3)2-5-1/h3-5H,1H2/t3-,4+/m0/s1",127.85373999999999,77.41666,
4391,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[H:9][H:10].[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])=[C:5]=[C:6]1[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H3NO.H2/c6-4-2-1-3-5-4;/h2-3H,(H,5,6);1H",102.99576,93.06151,
4392,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O-:1][C:2]1=[C:6]([H:11])[C:5]([H:8])([H:10])[C:4]([H:9])=[N+:3]1[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h2-3,6H,1H2",45.73836,34.40058,
4393,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[N:3](=[C:4]([H:8])[H:9])[H:7].[O:1]=[c:2]1[c:5]([H:10])[c:6]1[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C3H2O.CH3N/c4-3-1-2-3;1-2/h1-2H;2H,1H2",107.09081,78.75676,
4394,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5][C:6]1([H:10])[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h2-3H2,(H,5,6)",70.88981,69.57184000000001,Singlet_Carbene_Intra_Disproportionation
4395,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]=[C:2]=[C:6]=[C:5]([C:4]([N:3]([H:7])[H:11])([H:8])[H:9])[H:10],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1H,3,5H2",118.49441999999999,50.580740000000006,
4396,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]([C:2]1=[C:6]=[C:5]([H:10])[C:4]([H:8])([H:9])[N:3]1[H:7])[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,5-6H,3H2",74.87709,56.28978000000001,ketoenol
4397,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]([C:2]1=[N:3][C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)",50.854690000000005,9.866810000000001,ketoenol
4398,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]1[C:2](/[C:6](=[C:5](\[C:4]([H:7])([H:8])[H:9])[H:10])[H:11])=[N:3]1,"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-4-5-6-4/h2-3H,1H3/b3-2-",96.06907,86.328,
4399,[O:1]=[C:2]([C:3](=[O:4])[H:6])[H:5],[O:1]=[C:2]([O+:4]=[C-:3][H:6])[H:5],InChI=1S/C2H2O2/c3-1-2-4/h1-2H,InChI=1S/C2H2O2/c1-4-2-3/h1-2H,55.637519999999995,55.31381,
4400,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:5]#[C:6][H:14])([H:7])([H:8])[H:9].[O:4]([H:10])[H:13],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6.H2O/c1-4-5(2)3;/h1H,2H2,3H3;1H2",65.31308,8.46645,"1,3_Insertion_ROR"
4401,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](#[C:6][H:14])[H:13],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C3H6O.C2H2/c1-2-3-4;1-2/h3H,2H2,1H3;1-2H",84.27736,13.90346,
4402,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:6](=[C:5])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-5(2)4-6/h3,5-6H,4H2,2H3/t5-/m1/s1",61.36111999999999,49.5684,Singlet_Carbene_Intra_Disproportionation
4403,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([C:3]([O:4][H:13])([H:11])[H:12])=[C:5](\[C:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-5(2)4-6/h1,3,6H,4H2,2H3/b5-3+",74.77245,56.553619999999995,
4404,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[C:6]([H:13])[H:14])[H:10])([H:7])([H:8])[H:9].[C:3](=[O:4])([H:11])[H:12],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C4H6.CH2O/c1-3-4-2;1-2/h4H,1H2,2H3;1H2",42.06727,15.1858,Retroene
4405,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])=[C:5]=[C:6]([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-5(2)4-6/h6H,1,4H2,2H3",78.83757,-2.12717,
4406,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:14])[H:12])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O.H2/c1-3-5(2)4-6;/h1,4-5H,2H3;1H/t5-;/m0./s1",94.53745,21.32641,
4407,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[C:6]([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h4H,2-3H2,1H3/t4-/m0/s1",72.39013,-8.98992,
4408,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:6](=[C:5]=[C:2]([C:3]([O:4][H:13])([H:11])[H:12])[H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,4,6H,5H2,1H3",96.28227,-1.39173,
4409,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:5]1=[C:6](\[O:4][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-4,6H,2H2,1H3/b5-3+/t4-/m0/s1",77.53453,1.1611200000000002,
4410,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([c:2]1[c:3]([H:11])[o:4][c:6]([H:12])[c:5]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3",53.78833,-33.36238,
4411,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1]([C:2](=[C:5]=[C:6]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C4H6.CO/c1-3-4-2;1-2/h4H,1H2,2H3;",43.28107,-5.49734,
4412,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@@:3]([O:4][H:8])([C:5]#[C:6][H:12])[H:11])[H:10])([H:7])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-3-5(6)4-2/h1,4-6H,2H2/t5-/m0/s1",95.32358,14.57616,
4413,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:5]#[C:6][H:12])[H:10])([H:7])[H:9].[C:3](=[O:4])([H:8])[H:11],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C4H4.CH2O/c1-3-4-2;1-2/h1,4H,2H2;1H2",75.95911,27.883490000000002,
4414,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:10])[H:11])[C:5]#[C:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4,6H,2H3/b5-4+",65.74678,3.10798,ketoenol
4415,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([C:3](=[O:4])[H:11])=[C:5](\[C:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-3-5(2)4-6/h1,3-4H,2H3/b5-3+",68.28448,55.732369999999996,
4416,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][C:5]#[C:6][H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-3-5-6-4-2/h2-3,5H,1H3/b5-3-",94.98996,26.783690000000004,ketoenol
4417,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:11])=[C:5]=[C:6]([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-3-5(2)4-6/h4H,1H2,2H3",68.1695,-8.78132,
4418,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[C:6]([C:3](=[O:4])[H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h2,4-5H,1H3",54.15379,-7.372160000000001,
4419,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:10])([C:4]([H:11])([H:12])[H:13])[C:5][O:6][H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(2,6)3-5/h5-6H,1-2H3",56.5852,36.00503,
4420,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])[H:9].[O:3]([H:8])[H:10],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c1-3-2-4(3)5;/h4-5H,1-2H2;1H2/t4-;/m1./s1",74.44149,24.75633,"1,3_Insertion_ROR"
4421,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1([O:3][H:10])[C:4]([H:12])=[C:5]1[H:13])([H:7])([H:8])[H:9].[O:6]([H:11])[H:14],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c1-4(5)2-3-4;/h2-3,5H,1H3;1H2",77.90215,31.52342,
4422,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2][O:3][H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:14])[H:13])([H:11])[H:12],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/2C2H4O/c2*1-2-3/h3H,1H3;2-3H,1H2",63.26051999999999,58.319630000000004,
4423,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:10])([C:5](=[C:4]([H:11])[H:12])[H:13])[O:6][H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3-4(2,5)6/h3,5-6H,1H2,2H3",64.05753,-13.201,
4424,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1(=[O:3])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C3H4O2.CH4/c4-2-1-3(2)5;/h2,4H,1H2;1H4/t2-;/m1./s1",91.6125,23.03385,
4425,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:10])[C:4]([C:5](=[O:6])[H:13])([H:11])[H:12])([H:7])[H:9].[H:8][H:14],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c1-4(6)2-3-5;/h3,6H,1-2H2;1H",61.06802,8.67647,
4426,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:10])=[C:4](/[C:5]([O:6][H:14])([H:11])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h2,5-6H,3H2,1H3/b4-2-",66.83866,-10.30841,
4427,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:10])([C:4]([O:6][H:14])([H:11])[H:12])[C:5][H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(2,6)3-5/h1,5-6H,3H2,2H3/t4-/m1/s1",102.6978,76.87522,
4428,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:10])([C:4]([H:11])([H:12])[H:14])[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3",64.47507,-18.52412,
4429,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:6][H:14])([H:7])([H:8])[H:9].[C:2]1([O:3][H:10])=[C:5]([H:13])[C:4]1([H:11])[H:12],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C3H4O.CH4O/c4-3-1-2-3;1-2/h1,4H,2H2;2H,1H3",124.38552,49.65797,
4430,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]2([O:3][H:10])[C:4]([H:11])([H:12])[C:5]12[H:13].[O:6]([H:8])[H:14],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c5-4-1-3(4)2-4;/h3,5H,1-2H2;1H2",102.81636999999999,31.98455,
4431,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C@@:5]([C:4]([H:10])([H:11])[H:12])([O:6][H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1",59.848580000000005,-22.21489,
4432,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:10])([C:4]([C:5][O:6][H:14])([H:11])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h4-6H,2H2,1H3/t4-/m1/s1",60.22662,38.63647,
4433,[C:1]([C@@:2]([C:3]#[C:4][H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([N+:6]#[C-:5])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-3-5(2)4-6/h1,5H,2H3/t5-/m0/s1","InChI=1S/C5H5N/c1-3-4-5-6-2/h3,5H,1H3",93.52471,17.5021,
4434,[C:1]([C@@:2]([C:3]#[C:4][H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C+:2]([C:3]#[C:4][H:11])=[C:5]=[N-:6].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C5H5N/c1-3-5(2)4-6/h1,5H,2H3/t5-/m0/s1",InChI=1S/C4HN.CH4/c1-2-3-4-5;/h1H;1H4,82.75525,76.04728,
4435,[C:1]([C@@:2]([C:3]#[C:4][H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:4][H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-3-5(2)4-6/h1,5H,2H3/t5-/m0/s1","InChI=1S/C5H5N/c1-3-5(2)4-6/h2-3H,1H3/b5-3-",88.25690999999999,51.824009999999994,
4436,[C:1]([C@@:2]([C:3]#[C:4][H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-3-5(2)4-6/h1,5H,2H3/t5-/m0/s1","InChI=1S/C5H5N/c1-3-5(2)4-6/h1H2,2H3",72.63775,-7.028739999999999,
4437,[C:1]([C@@:2]([C:3]#[C:4][H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C:4][H:11])[H:10])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-3-5(2)4-6/h1,5H,2H3/t5-/m0/s1","InChI=1S/C5H5N/c1-3-5(2)4-6/h1,3H,2H3/b5-3+",72.63289,55.26896,
4438,[C:1]([C@@:2]([C:3]#[C:4][H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]#[C:4][H:11])([N+:6]#[C-:5])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-3-5(2)4-6/h1,5H,2H3/t5-/m0/s1","InChI=1S/C5H5N/c1-4-5(2)6-3/h1,5H,2H3/t5-/m0/s1",58.971540000000005,22.0214,
4439,[C:1]([C@@:2]([C:3]#[C:4][H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]#[C:4][H:11])=[C:5]=[N:6][H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-3-5(2)4-6/h1,5H,2H3/t5-/m0/s1","InChI=1S/C5H5N/c1-3-5(2)4-6/h1,6H,2H3",84.14348000000001,17.47485,
4440,[N:1]#[C:2][C:3]1([H:6])[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10],[N:1]1=[C:2]=[C:3]([H:6])[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10],"InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2","InChI=1S/C4H5N/c1-2-4-5-3-1/h1H,2,4H2",87.67558000000001,74.96249,
4441,[N:1]#[C:2][C:3]1([H:6])[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10],[N-:1]=[C:2]=[C+:3][C:5]([C:4]([H:6])([H:7])[H:8])([H:9])[H:10],"InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2","InChI=1S/C4H5N/c1-2-3-4-5/h2H2,1H3",66.59779,65.13428,
4442,[N:1]#[C:2][C:3]1([H:6])[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10],[N+:1](#[C-:2])[C:3]1([H:6])[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10],"InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2","InChI=1S/C4H5N/c1-5-4-2-3-4/h4H,2-3H2",62.52344,23.632929999999998,
4443,[N:1]#[C:2][C:3]1([H:6])[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10],[N:1](=[C+:2][C@:3]1([H:6])[C:4]([H:7])([H:8])[C-:5]1[H:10])[H:9],"InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2","InChI=1S/C4H5N/c5-3-4-1-2-4/h1,4-5H,2H2/t4-/m0/s1",131.01203,87.68208,
4444,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1](=[C:3](\[C@@:4]1([H:10])[O:5][C@:6]1([C:2][H:8])[H:11])[H:9])\[H:7],"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h1-5H/b5-2-/t3-,4+/m0/s1",55.51286999999999,38.50806,
4445,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@:4]2([O+:5]=[C-:6][H:11])[H:10],"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c1-6-4-2-3(4)5-2/h1-5H/t2-,3+,4-",75.23366999999999,49.016420000000004,
4446,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1]([C:2][H:8])([C@@:3]1([H:9])[C@@:4]2([H:10])[O:5][C@@:6]12[H:11])[H:7],"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c1-5-2-3-4(2)6-3/h1-5H/t2-,3+,4-",79.05635,40.56392,
4447,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C:4]([H:10])([H:11])[O+:5]=[C-:6]2,"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c1-3-4(5-3)2-6-1/h3-5H,1H2/t3-,4+/m0/s1",56.16535,-1.8652799999999998,
4448,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@:4]([O:5][H:11])([H:10])[C:6]2,"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2-6H/t2-,3+,4-/m1/s1",65.57856,27.089909999999996,
4449,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1]1([H:7])[C@@:2]([C:6](=[O:5])[H:11])([H:8])[C@@:3]1([C:4][H:10])[H:9],"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c1-3-4(2-6)5-3/h1-5H/t3-,4+/m0/s1",51.25933,31.939659999999996,
4450,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1]1([H:7])[C:2]([H:8])([H:9])[C@@:6]2([H:11])[C@@:4]([H:10])([C:3]1)[O:5]2,"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c1-3-4(6-3)2-5-1/h3-5H,1H2/t3-,4+/m0/s1",57.48944,-13.794570000000002,
4451,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1]1=[C:2]([H:8])[C@@:6]2([H:11])[C@@:4]([H:10])([C:3]1([H:7])[H:9])[O:5]2,"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c1-3-4(6-3)2-5-1/h1,3-4H,2H2/t3-,4+/m0/s1",58.505269999999996,-48.0304,
4452,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1]1([H:7])[C@@:2]2([H:8])[C:3]([H:9])=[C:4]([H:10])[O:5][C@@:6]12[H:11],"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c1-2-6-4-3(1)5-4/h1-5H/t3-,4+/m0/s1",62.807430000000004,-45.34128,
4453,[C:1]([C@@:2]([O:3][H:10])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C:4]([O:3][H:10])=[N:5]1)([H:6])([H:7])[H:8],"InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3/t3-/m1/s1","InChI=1S/C3H5NO/c1-2-3(5)4-2/h2H,1H3,(H,4,5)/t2-/m0/s1",89.00461,29.660859999999996,
4454,[C:1]([C@@:2]([O:3][H:10])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[H:9])([H:6])([H:7])[H:8].[C:4]=[N:5][H:10],"InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3/t3-/m1/s1","InChI=1S/C2H4O.CHN/c1-2-3;1-2/h2H,1H3;2H",57.776140000000005,29.465690000000002,
4455,[C:1]([C@@:2]([O:3][H:10])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([O:3][H:10])=[C:4]=[N:5][H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3/t3-/m1/s1","InChI=1S/C3H5NO/c1-3(5)2-4/h4-5H,1H3",86.84562,25.75415,
4456,[C:1]([C@@:2]([O:3][H:10])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:8])[C@:2]([O:3][H:10])([H:9])/[C:4]1=[N:5]/[H:7],"InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3/t3-/m1/s1","InChI=1S/C3H5NO/c4-2-1-3(2)5/h3-5H,1H2/b4-2+/t3-/m1/s1",108.87023,37.36639,
4457,[C:1]([C@@:2]([O:3][H:10])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C+:2]=[C:4]=[N-:5])([H:6])([H:7])[H:8].[O:3]([H:9])[H:10],"InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3/t3-/m1/s1",InChI=1S/C3H3N.H2O/c1-2-3-4;/h1H3;1H2,75.51756,78.05278,
4458,[C:1]([C@@:2]([O:3][H:10])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]([O:3][H:10])([N+:5]#[C-:4])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3/t3-/m1/s1","InChI=1S/C3H5NO/c1-3(5)4-2/h3,5H,1H3/t3-/m1/s1",53.25605,17.5817,
4459,[C:1]([C@@:2]([O:3][H:10])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C+:2]([O:3][H:10])=[C:4]=[N-:5].[C:1]([H:6])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3/t3-/m1/s1",InChI=1S/C2HNO.CH4/c3-1-2-4;/h4H;1H4,81.57701999999999,62.699830000000006,
4460,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:4]=[C-:3][C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3","InChI=1S/C5H6O/c1-3-5-6-4-2/h1H,4H2,2H3",110.66167,58.81095,
4461,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3](=[O:4])=[C:5]=[C:6]([H:9])[H:12],"InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3",InChI=1S/C3H2O.C2H4/c1-2-3-4;1-2/h1H2;1-2H2,56.17575,30.27458,Retroene
4462,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][C:3](=[C:2]([H:10])[H:11])[C:5]#[C:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3","InChI=1S/C5H6O/c1-4-5(2)6-3/h1H,2H2,3H3",99.11258000000001,20.08608,ketoenol
4463,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:11])[C:3](=[C:5]=[C:6]([H:10])[H:12])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3","InChI=1S/C5H6O/c1-3-5-4(2)6-5/h4H,1H2,2H3/t4-/m0/s1",90.57345,28.7747,
4464,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C-:3]=[O+:4][C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3","InChI=1S/C5H6O/c1-3-5-6-4-2/h2H,3H2,1H3",104.76293000000001,77.11627,
4465,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:11])[C@@:3]([C:5]#[C:6][H:12])([H:10])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3","InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5-/m0/s1",91.1101,22.80428,
4466,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([O:4][H:9])=[C:5]=[C:6]([H:10])[H:12])[H:11])([H:7])[H:8],"InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3","InChI=1S/C5H6O/c1-3-5(6)4-2/h3,6H,1-2H2",112.31468999999998,12.8078,
4467,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:10])[C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3","InChI=1S/C5H6O/c1-3-5(6)4-2/h1,4,6H,2H3/b5-4-",70.64452,7.11148,ketoenol
4468,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[O:4])[O+:6]=[C-:5][H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C3H4O3/c1-6-3(5)2-4/h1,4H,2H2",66.96034,54.09945,
4469,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([O:6][C:5](=[C:3]=[O:4])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C3H4O3/c4-1-2-6-3-5/h2,5H,3H2",90.1511,21.91457,ketoenol
4470,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([O-:4])=[C+:5][O:6][H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C3H4O3/c4-1-3(6)2-5/h4H,1H2,(H-,5,6)",83.22033,49.34681,
4471,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([O:4][C:3](=[C:2]([H:8])[H:9])[C:5](=[O:6])[H:10])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C3H4O3/c1-3(2-4)6-5/h2,5H,1H2",121.55842,63.973180000000006,ketoenol
4472,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[C-:5]#[O+:6].[O:1]([C:2]([C:3][O:4][H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C2H4O2.CO/c3-1-2-4;1-2/h3-4H,1H2;",59.38928000000001,48.8722,
4473,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([c:3]1[o:4][o:6][c:5]1[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C3H4O3/c4-1-3-2-5-6-3/h2,4H,1H2",105.40127,85.96174,
4474,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C-:3]=[O+:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C3H4O3/c4-1-2-6-3-5/h3-4H,1H2",53.50555,53.29266,
4475,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([O:6]/[C:5](=[C:3]1\[C:2]([H:8])([H:9])[O:4]1)[H:10])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C3H4O3/c4-6-2-3-1-5-3/h2,4H,1H2/b3-2+",139.03331,98.83578,
4476,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1](=[C:6]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:16])([H:7])[H:8].[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C4H6.C2H4/c1-3-4-2;1-2/h3-4H,1-2H2;1-2H2",101.33915,34.68266,
4477,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1](=[C:6](/[C:2](=[C:3](\[C:4]([C:5]([H:10])([H:14])[H:15])([H:12])[H:13])[H:11])[H:9])[H:16])([H:7])[H:8],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-3-5-6-4-2/h3,5-6H,1,4H2,2H3/b6-5-",140.07307,10.06851,
4478,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]([C:2]([C:3](=[C:4]([H:12])[H:13])[H:10])([H:9])[H:11])([C:6](=[C:5]([H:14])[H:15])[H:16])([H:7])[H:8],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2",95.48595,13.09844,
4479,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1](=[C:6]1[C:2]([H:9])=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:7])[H:8].[H:10][H:16],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H8.H2/c1-6-4-2-3-5-6;/h2,4H,1,3,5H2;1H",129.39418,18.767039999999998,
4480,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]1([H:7])([H:8])[C@:2]([C:3]([C:4]([H:12])([H:13])[H:14])([H:10])[H:11])([H:9])[C@:6]1([C:5][H:15])[H:16],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-3-6-4-5(6)2/h2,5-6H,3-4H2,1H3/t5-,6+/m0/s1",93.90037,86.11452,
4481,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:15])=[C:6]12.[H:14][H:16],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H8.H2/c1-2-5-4-6(5)3-1;/h2,6H,1,3-4H2;1H/t6-;/m1./s1",123.61583,66.8559,
4482,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1)([H:7])([H:8])[H:16],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-6-4-2-3-5-6/h6H,2-4H2,1H3/t6-/m0/s1",66.44159,62.359669999999994,
4483,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1](/[C:2](=[C:3](\[C:4]([H:11])([H:12])[H:13])[H:10])[H:9])([C:6](=[C:5]([H:14])[H:15])[H:16])([H:7])[H:8],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4-",94.1523,11.14736,
4484,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]1([H:7])([H:8])[C:2][C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1([H:9])[H:16],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+",InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-5H2,68.113,63.788619999999995,
4485,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]1([H:7])([H:8])[C:2][C@:6]1([C:5]([C:4]([C:3]([H:9])([H:10])[H:11])([H:12])[H:13])([H:14])[H:15])[H:16],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-2-3-6-4-5-6/h6H,2-4H2,1H3/t6-/m0/s1",91.53874,87.5147,
4486,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1](=[c:2]1/[n:3]([H:7])[c:4]([H:9])[c:5]([H:10])[o:6]1)\[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)",57.73461999999999,9.26187,
4487,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([c:2]1[n:3]([H:9])[c-:4][c:5]([H:10])[o+:6]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h2,5H,4H2",84.95258000000001,49.268679999999996,
4488,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C:2]([N:3]=[C:4]=[C:5]([H:9])[H:10])=[O:6])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c1-2-5-3(4)6/h1H2,(H2,4,6)",70.08639000000001,9.704880000000001,
4489,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:3][C@@:4]1([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-2(1-6)5-3/h1-2H,(H2,4,5)/t2-/m1/s1",69.31549,37.980979999999995,ketoenol
4490,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C:2]([N:3]1[C:4]([H:9])=[C:5]1[H:10])=[O:6])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3(6)5-1-2-5/h1-2H,(H2,4,6)",84.36989,60.94079,ketoenol
4491,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[C:4](=[C:5]=[O:6])([H:9])[H:10].[N:1]([C:2]#[N:3])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)",InChI=1S/C2H2O.CH2N2/c1-2-3;2-1-3/h1H2;2H2,88.7909,26.641009999999998,
4492,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:3][C:4]([H:9])([H:10])[C-:5]=[O+:6]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1H2,(H2,4,5)",58.87608,50.78485,Singlet_Carbene_Intra_Disproportionation
4493,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1](=[C:2]1\[N:3]=[C:4]([H:9])[C:5]([H:8])([H:10])[O:6]1)\[H:7],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1,4H,2H2/b4-3+",99.06538,11.98327,
4494,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1]([C:2](=[C:5]=[N:6][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C3H5N.CO/c1-2-3-4;1-2/h2,4H,1H3;",51.6621,18.90588,
4495,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:5]([O+:4]=[C-:3][H:11])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-3-4(5-3)6-2/h2-3H,1H3/t3-/m0/s1",123.14368999999999,107.67562,
4496,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[O:4][C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-2-3-6-4-5/h2-3H,1H3/b3-2+",86.96246,23.37268,ketoenol
4497,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])=[C:5]1[N:6]=[O:4])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-3-2-4(3)5-6/h2-3H,1H3/t3-/m0/s1",157.14706,101.15136,
4498,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([O:4]/[C:3](=[C:2](/[C:5]#[N:6])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-6-4-2-3-5/h2,4H,1H3/b4-2+",89.02337,12.63321,ketoenol
4499,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C@@:3]([C:5]#[N:6])([H:11])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1",85.23859,20.04554,
4500,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[N:6][C:3](=[O:4])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-2-3-5-4-6/h2,4H,1H3",63.0198,20.30826,
4501,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[O:4])[H:10])([H:7])([H:8])[H:9].[C:5](#[N:6])[H:11],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C3H4O.CHN/c1-2-3-4;1-2/h2H,1H3;1H",84.67675,21.97439,
4502,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[O:4])[H:11])([N+:6]#[C-:5])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(3-6)5-2/h3-4H,1H3/t4-/m0/s1",59.20253,21.604979999999998,
4503,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@:2]([C:3](=[O:4])[H:11])([H:10])/[C:5]1=[N:6]/[H:8],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c5-4-1-3(4)2-6/h2-3,5H,1H2/b5-4+/t3-/m0/s1",108.66821999999999,32.87981,
4504,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1](=[C:2]([C:5]#[N:6])[H:10])([H:7])[H:9].[H:8][H:11],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C3H3N.CO.H2/c1-2-3-4;1-2;/h2H,1H2;;1H",71.4535,26.96487,
4505,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(2-5)3-6/h3,6H,1H3/b4-3+",64.33412,1.6926,ketoenol
4506,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][N+:6]#[C-:5])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-3-4-6-5-2/h3-4H,1H3/b4-3-",121.09447,85.34355,
4507,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[C:3]([N:6]=[O:4])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-2-3-4-5-6/h2,4H,1H3",169.08621000000002,72.94966,
4508,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3",81.91882,-0.09258,
4509,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1](/[C:2](=[C:6](\[C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)[H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h1-2,4-5H,3H2/b2-1-/t4-/m0/s1",76.90512,-18.424310000000002,
4510,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[C:4](=[O:5])([H:10])[H:11].[O:1]([C:2]1([H:8])[C:3]([H:9])=[C:6]1[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1",InChI=1S/C3H4O.CH2O/c4-3-1-2-3;1-2/h1-4H;1H2,74.86333,23.18591,2+2_cycloaddition
4511,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:12])[C:4]([H:10])([H:11])[O+:5]=[C-:6]1)[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h4-5H,1-2H2/t4-/m0/s1",57.53491999999999,7.6946699999999995,
4512,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C:2][C@@:6]1([H:12])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[O:5]1)[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h4-5H,1-2H2/t4-/m1/s1",55.00883,24.97348,
4513,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]=[C:2](/[C:6](=[C:3](\[C:4]([O:5][H:7])([H:10])[H:11])[H:9])[H:12])[H:8],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1-3,6H,4H2/b2-1-",54.19011999999999,-32.64338,
4514,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]([C:3](=[C:4]([H:10])[H:11])[H:9])([C:6](=[O:5])[H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h2-4,6H,1H2/t4-/m0/s1",31.31308,-33.27383,
4515,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:11])[C@:6]1([O+:5]=[C-:4][H:10])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c1-6-4-2-3(4)5/h1,3-5H,2H2/t3-,4+/m0/s1",83.10945,46.19793,
4516,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3][C:4]([H:10])([H:11])[O:5][C:6]1([H:9])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h4-5H,2-3H2/t4-/m0/s1",63.92358,41.01015,
4517,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[H:10][H:11].[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C-:4]=[O+:5][C@@:6]12[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H4O2.H2/c5-3-2-1-6-4(2)3;/h2-5H;1H/t2-,3+,4-;/m1./s1",85.5218,71.74566,
4518,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[C@:2]12([H:8])[C@:3]3([H:9])[C@@:4]1([H:10])[O:5][C@:6]23[H:12].[O:1]([H:7])[H:11],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H4O.H2O/c5-3-1-2(3)4(1)5;/h1-4H;1H2/t1-,2+,3-,4+;",108.84449,44.42617,
4519,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1](/[C:2](=[C:3](\[C:4]([O+:5]=[C-:6][H:12])([H:10])[H:11])[H:9])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c1-6-4-2-3-5/h1-3,5H,4H2/b3-2-",59.63137,32.471270000000004,
4520,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C:2][C:3]1([H:9])[C:4]([H:10])([H:11])[O:5][C:6]1([H:8])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h4-5H,2-3H2",59.24531999999999,35.48664,
4521,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]=[C:2]([C@@:6]1([H:12])[C:3]([H:7])([H:9])[C:4]([H:10])([H:11])[O:5]1)[H:8],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1",64.27981,-19.99614,
4522,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[H:7][H:11].[O:1]=[C:2]([C@@:6]1([H:12])[C:3]([H:9])=[C:4]([H:10])[O:5]1)[H:8],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1",InChI=1S/C4H4O2.H2/c5-3-4-1-2-6-4;/h1-4H;1H/t4-;/m1./s1,62.840869999999995,14.14778,
4523,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O+:5]=[C-:6]1)([H:8])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h4-5H,1-2H2/t4-/m0/s1",54.130669999999995,27.41175,
4524,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C:2](=[C:3]([C:6](=[O+:5][C-:4]([H:10])[H:11])[H:12])[H:9])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c1-6-4-2-3-5/h2-5H,1H2",65.43288000000001,30.41837,
4525,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:6]/[C:5](=[N:4]\[C:3]([H:10])([H:11])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-3-6-4-5-2/h4H,1-2H3/b5-4-",85.42260999999999,74.3656,
4526,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1",55.51389,15.57528,ketoenol
4527,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O:6])[H:10])([H:7])([H:8])[H:9].[C:3](=[N+:4]=[C-:5][H:13])([H:11])[H:12],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C2H3N.C2H4O/c1-3-2;1-2-3/h1H,2H2;2H,1H3",74.86391,61.986019999999996,
4528,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[O:6])([H:7])([H:8])[H:9].[N:4]#[C:5][H:13],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1",InChI=1S/C3H6O.CHN/c1-3(2)4;1-2/h1-2H3;1H,81.7049,5.76545,
4529,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](/[C:5](=[N:4]\[C:3]([C:2](=[O:6])[H:10])([H:11])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h2,4H,3H2,1H3/b5-2-",110.27341000000001,14.350670000000001,
4530,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:3]([C:2](=[O:6])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[N:4]#[C:5][H:13],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C3H6O.CHN/c1-2-3-4;1-2/h3H,2H2,1H3;1H",90.90263,14.070129999999999,
4531,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[N:4]\[C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-2-3-5-4-6/h3-4H,2H2,1H3/b5-3-",60.11765,4.435309999999999,
4532,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C-:5]=[O+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h4-5H,2H2,1H3/t4-/m0/s1",67.80396,26.1759,
4533,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:3](/[N:4]=[C:5](\[O+:6]=[C-:2][H:10])[H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-3-5-4-6-2/h2,4H,3H2,1H3/b5-4-",134.77286,84.61775,
4534,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9].[N:4]#[C:5][H:13],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C3H6O.CHN/c1-3-2-4-3;1-2/h3H,2H2,1H3;1H/t3-;/m0./s1",102.58012,34.880790000000005,
4535,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([N:4]1[C:3]([H:11])([H:12])[C-:2]([H:10])[O+:6]=[C:5]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-5-2-3-6-4-5/h3-4H,2H2,1H3",108.92071000000001,71.4031,
4536,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[N+:4]=[C-:5][H:13])[H:11])([O:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(6)3-5-2/h2-4,6H,1H3/t4-/m0/s1",89.00233,51.23963,
4537,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[O+:6][C-:5]([H:13])[N:4]([H:10])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3,5H,2H2,1H3",82.03713,64.13299,
4538,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2][H:10])([H:7])([H:8])[H:9].[C:3]1([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1,"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C2H3NO.C2H4/c1-3-2-4-1;1-2/h1H,2H2;1H,2H3",140.16332,126.32818999999999,
4539,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([N+:4]#[C-:5])([H:11])[H:12])([O:6][H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(6)3-5-2/h4,6H,3H2,1H3/t4-/m0/s1",72.81900999999999,17.74322,
4540,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([N:4]=[C:5]([H:10])[H:13])([H:11])[H:12])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(6)3-5-2/h2-3H2,1H3",94.28983000000001,11.38562,
4541,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]([H:12])[N:4]([H:11])[C:5]([H:13])=[O+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h2-5H,1H3/t4-/m0/s1",81.76601,54.623459999999994,
4542,[C:1]([O:2][C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:6](=[C:5]=[C:4]([H:12])[H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5-6-2/h1H,4-5H2,2H3","InChI=1S/C5H8O/c1-3-4-5-6-2/h4H,1,5H2,2H3",75.70821,0.62078,
4543,[C:1]([O:2][C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C@:3]1([H:10])[C:4]([H:12])([H:13])[C:5]1=[C:6]([H:11])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5-6-2/h1H,4-5H2,2H3","InChI=1S/C5H8O/c1-4-3-5(4)6-2/h5H,1,3H2,2H3/t5-/m1/s1",81.22270999999999,5.1410800000000005,
4544,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[O:1]([C:2][C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h6H,1-3H2",81.44081,52.34234,
4545,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[C:3](=[N:4][C:6]([C:5]([H:7])([H:10])[H:11])([H:12])[H:13])([H:8])[H:9].[O+:1]#[C-:2],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C3H7N.CO/c1-3-4-2;1-2/h2-3H2,1H3;",59.87145,-19.221510000000002,
4546,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([N+:4]([C-:5]([H:10])[H:11])=[C:6]([H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C4H7NO/c1-5(2)3-4-6/h4H,1-3H2",49.50881,23.33436,
4547,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](/[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7])[H:9],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h3-4,6H,1-2H2/b4-3+",65.7221,7.879639999999999,ketoenol
4548,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[N:4]1=[C:6]([H:12])[C:5]1([H:10])[H:11].[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[H:13],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C2H3N.C2H4O/c1-2-3-1;1-2-3/h1H,2H2;2-3H,1H2",64.08798,29.24608,Retroene
4549,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[H:9][H:11].[O-:1][C:2](=[C:3]([N+:4]1=[C:5]([H:10])[C:6]1([H:12])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C4H5NO.H2/c6-4-3-5-1-2-5;/h1,3-4H,2H2;1H",78.91965,57.80075,
4550,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[O-:1][C:2](=[C:3]([N+:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h3-4,6H,1-2H2",68.09931999999999,37.04065,
4551,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[O:1]([C@:2]1([H:7])[C:3]([H:8])([H:9])[N:4]2[C@:5]1([H:11])[C:6]2([H:12])[H:13])[H:10],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m1/s1",83.62331999999999,11.98475,
4552,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([N+:4]1([H:12])[C:5]([H:10])([H:11])[C-:6]1[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h1,4-5H,2-3H2",67.50751,55.64989,
4553,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[C-:3]([N+:4]1=[C:5]([H:10])[C:6]1([H:12])[H:13])([H:8])[H:9].[O:1]=[C:2]([H:7])[H:11],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C3H5N.CH2O/c1-4-2-3-4;1-2/h2H,1,3H2;1H2",84.52606999999999,69.44762,
4554,[C:1]([C:2]#[C:3][C:4]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7],[C:1]([C:2](=[C:3]=[C:4]([H:8])[H:9])[H:10])([H:5])([H:6])[H:7],InChI=1S/C4H6/c1-3-4-2/h1-2H3,"InChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3",85.28650999999999,3.9241300000000003,
4555,[C:1]([C:2]#[C:3][C:4]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7],[C:1]([C:3](=[C:2])[C:4]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7],InChI=1S/C4H6/c1-3-4-2/h1-2H3,InChI=1S/C4H6/c1-4(2)3/h1-2H3,59.766459999999995,53.25285,
4556,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[O:5]1,[C:3]1([H:6])([H:7])[C:4]([H:8])([H:9])[O:5]1.[O+:1]#[C-:2],InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2,InChI=1S/C2H4O.CO/c1-2-3-1;1-2/h1-2H2;,96.41914,29.00202,
4557,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[O:5]1,[C:3](=[C:4]([H:8])[H:9])([H:6])[H:7].[O:1]=[C:2]=[O:5],InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2,InChI=1S/C2H4.CO2/c1-2;2-1-3/h1-2H2;,42.98905,-13.210270000000001,2+2_cycloaddition
4558,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[O:5]1,[C:4](=[O:5])([H:8])[H:9].[O:1]=[C:2]=[C:3]([H:6])[H:7],InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2,InChI=1S/C2H2O.CH2O/c1-2-3;1-2/h1H2;1H2,58.81061,29.60384,2+2_cycloaddition
4559,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[O:5]1,[O:1]=[C:2]=[C:3]([C:4]([O:5][H:6])([H:8])[H:9])[H:7],InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2,"InChI=1S/C3H4O2/c4-2-1-3-5/h1,4H,2H2",81.70985999999999,15.99645,
4560,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[O:5]1,[O-:1][C:2](=[C+:3][H:6])[O:5][C:4]([H:7])([H:8])[H:9],InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2,"InChI=1S/C3H4O2/c1-3(4)5-2/h1H,2H3",85.13795999999999,82.81407,
4561,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[O:5]1,[O:1]([C:2]1=[C:3]([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2,"InChI=1S/C3H4O2/c4-3-1-2-5-3/h1,4H,2H2",89.09804,32.77408,ketoenol
4562,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[O:5]1,[C:3]([C:4](=[O:5])[H:9])([H:6])([H:7])[H:8].[O+:1]#[C-:2],InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2,"InChI=1S/C2H4O.CO/c1-2-3;1-2/h2H,1H3;",86.55364,2.39767,
4563,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1",42.81629,-15.57182,ketoenol
4564,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]=[C:5]=[O:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-4(2)5-3-6/h4H,1-2H3",66.07956999999999,-31.33355,
4565,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([N+:4]([C-:3]([H:11])[H:12])=[C:5]([O:6][H:7])[H:13])[H:10])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-3-5(2)4-6/h3-4,6H,1-2H2",76.67963,56.700390000000006,
4566,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([N:4]1[C:5]([H:7])([H:13])[O:6]1)([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-2-3-5-4-6-5/h2H,1,3-4H2",109.73216000000001,55.25134,
4567,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([O:6][C:5](=[N+:4]1[C-:2]([H:10])[C:3]1([H:11])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-6-4-5-2-3-5/h2,4H,3H2,1H3",116.7603,75.74758,
4568,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]1=[N:4][C:3]1([H:11])[H:12])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C3H5N.CO.H2/c1-3-2-4-3;1-2;/h2H2,1H3;;1H",79.76675999999999,36.23227,
4569,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[N:4]=[C:5](/[O:6][H:12])[H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-4H,1H3,(H,5,6)/b3-2-",53.00172,-7.65268,
4570,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C@@:2]1([H:10])[C:3]([H:12])=[N:4]1)([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C3H5N.CO.H2/c1-3-2-4-3;1-2;/h2-3H,1H3;;1H/t3-;;/m0../s1",81.61323,41.79761,
4571,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]([H:11])[N+:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h2-5H,1H3/t4-/m0/s1",68.98255,58.53573000000001,
4572,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]([H:11])[N+:4]1=[C:5]([O:6][H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h2-4,6H,1H3/t4-/m0/s1",64.63699,59.97546,
4573,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C-:2]([N+:4]1=[C:5]([H:13])[O:6][C:3]1([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-2-5-3-6-4-5/h2-3H,4H2,1H3",90.97409,67.35419,
4574,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([N:4]([C:5](=[O:6])[H:13])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-2-3-5-4-6/h4H,3H2,1H3,(H,5,6)",68.86851999999999,56.370290000000004,
4575,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C:5](=[O:6])[H:13])([H:7])([H:8])[H:9].[C:2]1([H:10])=[N:4][C:3]1([H:11])[H:12],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C2H3N.C2H4O/c1-2-3-1;1-2-3/h1H,2H2;2H,1H3",103.84751,37.05429,
4576,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:6][C:5]([H:13])=[N:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1",47.086690000000004,-14.155339999999999,ketoenol
4577,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3](/[N:4]=[C:5](\[O:6][H:7])[H:13])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6)",37.33657,-0.39407,
4578,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])/[N:4]=[C:5](\[O:6][H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-4(2)5-3-6/h3H,1H2,2H3,(H,5,6)",59.66491,-9.85619,
4579,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:8])([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1,"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2",63.88604,-11.92576,
4580,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[N+:4]([C-:5]([O:6][H:10])[H:13])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3,6H,2H2,1H3",68.45801999999999,62.01492,
4581,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([N+:4]1([C:5](=[O:6])[H:13])[C-:2]([H:10])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5(4-6)2-3-5/h2,4H,3H2,1H3",111.60412,66.7123,
4582,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[N+:4]([C-:3]([H:11])[H:12])[C:5](=[O:6])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-3-5(2)4-6/h3-4H,2H2,1H3",49.194379999999995,42.05742,
4583,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:4]/[C:3]([C:5](=[O:6])[H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h2,4H,3H2,1H3/b5-2+",74.21694000000001,-4.3853,
4584,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[C:5]([H:16])[H:17])[H:14])[H:10])([H:7])([H:8])[H:9].[O:6]([H:15])[H:18],"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C5H10.H2O/c1-4-5(2)3;/h4-5H,1H2,2-3H3;1H2",66.90838000000001,9.36972,"1,3_Insertion_ROR"
4585,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C5H10O.H2/c1-5(2)3-4-6;/h6H,1,3-4H2,2H3;1H",110.04427,28.30377,
4586,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([H:14])[H:15])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:16])[H:17].[H:10][H:18],"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C4H8.CH2O.H2/c1-4(2)3;1-2;/h1H2,2-3H3;1H2;1H",82.57191999999999,42.02317,
4587,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5](=[O:6])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9].[H:16][H:18],"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C5H10O.H2/c1-5(2)3-4-6;/h4-5H,3H2,1-2H3;1H",84.6497,15.939689999999999,
4588,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([C:3]([H:11])([H:12])[H:13])([H:10])[C:4]([H:14])([H:15])[C:5]1([H:16])[H:17].[O:6]([H:8])[H:18],"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C5H10.H2O/c1-5-3-2-4-5;/h5H,2-4H2,1H3;1H2",102.03096,13.24111,
4589,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])[H:9].[C:3]([H:8])([H:11])([H:12])[H:13],"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C4H8O.CH4/c1-2-3-4-5;/h2,5H,1,3-4H2;1H4",112.47446000000001,18.65679,
4590,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:16].[C@@:2]1([C:3]([H:11])([H:12])[H:13])([H:10])[C:4]([H:14])([H:15])[C@:5]1([O:6][H:18])[H:17],"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C4H8O.CH4/c1-3-2-4(3)5;/h3-5H,2H2,1H3;1H4/t3-,4-;/m1./s1",110.32083999999999,21.30487,
4591,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([C:3]([H:11])([H:12])[H:13])[C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15],"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C4H8O.CH4/c1-2-3-4-5;/h5H,3-4H2,1H3;1H4",91.51222,85.08606999999999,
4592,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1]([N+:4]1([C:5]([H:12])([H:13])[H:14])[C-:2]([H:9])[C:3]1([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C4H9N/c1-5(2)3-4-5/h3H,4H2,1-2H3",109.25413999999999,58.69141,
4593,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1]([C:2](=[N+:4]([C-:3]([H:10])[H:11])[C:5]([H:12])([H:13])[H:14])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C4H9N/c1-4-5(2)3/h4H,2H2,1,3H3",47.73835,28.26375,
4594,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:10].[C:2]1([H:9])=[C:3]([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C3H5N.CH4/c1-4-2-3-4;/h2-3H,1H3;1H4",122.25927,60.208290000000005,
4595,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C:3]([H:11])=[N+:4]1[C-:5]([H:12])[H:14])([H:6])([H:7])[H:8].[H:10][H:13],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C4H7N.H2/c1-4-3-5(4)2;/h3-4H,2H2,1H3;1H/t4-;/m0./s1",86.28641999999999,70.11417,
4596,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1]([C:2]1=[N+:4]([C-:5]([H:12])[H:14])[C:3]1([H:10])[H:11])([H:6])([H:7])[H:8].[H:9][H:13],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C4H7N.H2/c1-4-3-5(4)2;/h2-3H2,1H3;1H",84.36169,70.3529,
4597,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C-:3]([H:11])[N+:4]1([C:5]([H:12])([H:13])[H:14])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C4H9N/c1-4-3-5(4)2/h3-5H,1-2H3/t4-/m0/s1",65.05669,51.67546,
4598,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8].[N:4](=[C:5]([H:12])[H:14])[H:13],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C3H6.CH3N/c1-3-2;1-2/h3H,1H2,2H3;2H,1H2",83.35896,5.00055,
4599,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1]([C:2]([N:4]=[C:3]([H:10])[H:11])([C:5]([H:12])([H:13])[H:14])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C4H9N/c1-4(2)5-3/h4H,3H2,1-2H3",91.76911,-15.71654,
4600,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1](/[C:2](=[N:4]\[C:3]([C:5]([H:12])([H:13])[H:14])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C4H9N/c1-3-5-4-2/h3H,4H2,1-2H3/b5-3-",92.27384,-15.532960000000001,
4601,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1]([C-:2]1[C:3]([H:10])([H:11])[N+:4]1([C:5]([H:12])([H:13])[H:14])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C4H9N/c1-4-3-5(4)2/h5H,3H2,1-2H3",74.47837,52.18485,
4602,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][n:6]1)[H:7],[O:1]([C:3](=[C:2]=[N:6][N:5]=[N:4][H:9])[H:8])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-5-4-1-2-6/h2-3,6H",123.14549,63.25721,
4603,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][n:6]1)[H:7],[O:1]([C-:2](/[C:3](=[N:4]/[H:9])[H:8])[N+:6]#[N:5])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-1-2(6)5-4/h1,3,6H/b3-1+",40.4619,27.80283,
4604,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][n:6]1)[H:7],[N:4](=[N+:5]=[N-:6])[H:9].[O:1]([C:2]#[C:3][H:8])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H2O.HN3/c1-2-3;1-3-2/h1,3H;1H",97.19953000000001,69.40637,
4605,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][n:6]1)[H:7],[O:1]([C:2]1=[N:6][N:5]=[N:4][C:3]1([H:8])[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H2,(H,3,4,6)",50.800990000000006,16.72697,
4606,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][n:6]1)[H:7],[O:1]([c:2]1[c:3]([H:8])[n:4][n:5]([H:9])[n:6]1)[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)",44.80498,-4.91395,
4607,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][n:6]1)[H:7],[O-:1][c:2]1[c:3]([H:8])[n+:4]([H:9])[n:5][n:6]1[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)",48.85014,9.03477,
4608,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C@@:2]12[C:3]([H:9])=[N:4][N:5]1[N:6]2[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6(2)5-2/h1,5H,3H2/t2-,6?/m1/s1",90.18785,74.95467,
4609,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C@@:2]1([H:10])[C:3]([H:9])=[N:4][N:5]=[N:6]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1-2H,3H2/t2-/m1/s1",54.150059999999996,32.012209999999996,
4610,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[N:4]1/[N:5]=[N:6]/[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-6(2)5-4/h1,4H,3H2/b5-4+",93.42309,88.2204,
4611,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N+:1]([C:2]1=[C:3]=[N:4][N-:5][N:6]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H3N4/c3-2-1-4-6-5-2/h5H,3H2/q-1/p+1",94.22243,89.38842,
4612,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C:2](=[C:3]([N+:4]#[N:5])[H:9])[N-:6][H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2(4)1-6-5/h1,3H,4H2",25.945120000000003,7.1040399999999995,
4613,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C@@:2]1([H:9])[C:3]#[N+:4][N-:5][N:6]1[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h2,5H,3H2/t2-/m1/s1",83.75952,81.18417,Singlet_Carbene_Intra_Disproportionation
4614,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N:1](=[c:2]1\[c:3]([H:9])[n:4][n:5]([H:7])[n:6]1[H:10])\[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)",115.14407,19.67129,
4615,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N+:1]([C:2]1=[C:3]([H:9])[N:4]=[N:5][N-:6]1)([H:7])([H:8])[H:10],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H3N4/c3-2-1-4-6-5-2/h1H,(H2-,3,4,5,6)/q-1/p+1",54.066109999999995,38.47548,
4616,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C:2]1=[C+:3][N:4]([H:9])[N-:5][N:6]1[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h4-5H,3H2",81.27557,39.99626,
4617,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([c:2]1[c:3]([H:9])[n:4][n:5]([H:10])[n:6]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)",43.46689,-7.37265,
4618,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N-:4]=[N+:5]=[N:6][H:10].[N:1]([C:2]#[C:3][H:9])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H3N.HN3/c1-2-3;1-3-2/h1H,3H2;1H",90.3268,61.030840000000005,
4619,[C:1]([C:2]#[C:3][C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,5H2,2H3","InChI=1S/C6H6/c1-4-5-6(2)3/h1H,5H2,2H3",57.8518,51.402570000000004,
4620,[C:1]([C:2]#[C:3][C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3]/[C:4](=[C:5](\[C:6][H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,5H2,2H3","InChI=1S/C6H6/c1-3-5-6-4-2/h1,3,5H,2H3/b5-3-",72.70387,57.25731,
4621,[C:1]([C:2]#[C:3][C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C+:3][C:4]([H:10])([H:11])[C-:5]=[C:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,5H2,2H3","InChI=1S/C6H6/c1-6-4-2-3-5-6/h5H,2H2,1H3",81.31774,62.23454,
4622,[C:1]([C:2]#[C:3][C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C:4]([C:6](=[C:5])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,5H2,2H3","InChI=1S/C6H6/c1-3-5-6-4-2/h4H,6H2,1H3",59.88783000000001,48.686240000000005,Singlet_Carbene_Intra_Disproportionation
4623,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],[O:1]=[C:2](/[N:6]=[N:5]\[C:4](=[N:3]\[H:7])[H:8])[H:9],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-1-4-5-2-6/h1-3H/b3-1+,5-4-",82.04998,62.58374,
4624,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],[C:4](#[N:5])[H:8].[O:1]1/[C:2](=[N:3]\[H:7])[N:6]1[H:9],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/CH2N2O.CHN/c2-1-3-4-1;1-2/h(H2,2,3);1H",111.31741000000001,86.73643,
4625,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],[O:1]([c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1)[H:9],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",57.466440000000006,13.092030000000001,ketoenol
4626,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",51.349509999999995,5.72355,ketoenol
4627,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],[O:1]=[c:2]1[n+:3]([H:7])[c-:4][n:5]([H:8])[n:6]1[H:9],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h3H,(H2,4,5,6)",64.65726,33.61249,
4628,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],[N:3](=[C:4]=[N:5][H:8])[H:7].[O:1]=[C:2]=[N:6][H:9],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",InChI=1S/CH2N2.CHNO/c2*2-1-3/h2-3H;2H,87.45404,7.60496,
4629,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],[O-:1][c:2]1[n+:3]([H:7])[c:4]([H:8])[n:5]([H:9])[n:6]1,"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",62.33878000000001,19.21467,
4630,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3](=[C:4]([C:5](=[C:6]([H:15])[H:16])[H:14])[H:13])([H:11])[H:12],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2","InChI=1S/C4H6.C2H4/c1-3-4-2;1-2/h3-4H,1-2H2;1-2H2",69.04324,43.878640000000004,Diels_alder_addition
4631,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1](=[C:6]([H:15])[H:16])([H:7])[H:8].[C:2](=[C:3]([H:11])[H:12])([H:9])[H:10].[C:4](#[C:5][H:14])[H:13],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2",InChI=1S/2C2H4.C2H2/c3*1-2/h2*1-2H2;1-2H,134.44628,81.45328,
4632,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1](=[C:2]([H:9])[H:10])([C:6]([C:5]([C:4](=[C:3]([H:11])[H:12])[H:13])([H:7])[H:14])([H:15])[H:16])[H:8],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2","InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2",90.5656,22.34625,
4633,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]=[C:5]([H:14])[C:6]1([H:15])[H:16].[H:12][H:13],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2","InChI=1S/C6H8.H2/c1-2-4-6-5-3-1;/h1,5H,2,4,6H2;1H",109.70261,71.41891,
4634,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5][C:6]1([H:15])[H:16],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2",InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-5H2,71.14869,71.52915,Singlet_Carbene_Intra_Disproportionation
4635,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]1([C:5](=[C:6]([H:15])[H:16])[H:14])[H:13],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2","InChI=1S/C6H10/c1-2-6-4-3-5-6/h2,6H,1,3-5H2",105.96571000000002,25.504279999999998,
4636,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:13])[C:5]([H:14])=[C:6]1[H:15].[H:12][H:16],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2","InChI=1S/C6H8.H2/c1-2-4-6-5-3-1;/h1-4H,5-6H2;1H",64.42381999999999,27.359309999999997,
4637,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1]([C:2]([C:3]([H:7])([H:11])[H:12])([H:9])[H:10])(=[C:6]([H:15])[H:16])[H:8].[C:4](#[C:5][H:14])[H:13],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2","InChI=1S/C4H8.C2H2/c1-3-4-2;1-2/h3H,1,4H2,2H3;1-2H",144.21046,55.27535,
4638,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C+:3]([H:12])[C:4]([H:13])=[C-:5][C:6]1([H:15])[H:16].[H:11][H:14],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2","InChI=1S/C6H8.H2/c1-2-4-6-5-3-1;/h1-2H,3,5-6H2;1H",117.49521000000001,93.28683000000001,
4639,[C:1]([C:2](=[O:3])[C:4]#[N:5])([H:6])([H:7])[H:8],[C:1]([O+:3]=[C:2]=[C:4]=[N-:5])([H:6])([H:7])[H:8],InChI=1S/C3H3NO/c1-3(5)2-4/h1H3,InChI=1S/C3H3NO/c1-5-3-2-4/h1H3,109.69301999999999,61.514140000000005,
4640,[C:1]([C:2](=[O:3])[C:4]#[N:5])([H:6])([H:7])[H:8],[C:1]([C-:2]=[O+:3][C:4]#[N:5])([H:6])([H:7])[H:8],InChI=1S/C3H3NO/c1-3(5)2-4/h1H3,InChI=1S/C3H3NO/c1-2-5-3-4/h1H3,98.64309,74.82802,
4641,[C:1]([C:2](=[O:3])[C:4]#[N:5])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[N+:5]#[C-:4])([H:6])([H:7])[H:8],InChI=1S/C3H3NO/c1-3(5)2-4/h1H3,InChI=1S/C3H3NO/c1-3(5)4-2/h1H3,41.08135,12.79692,
4642,[C:1]([C:2](=[O:3])[C:4]#[N:5])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[H:7])([C:4]#[N:5])([H:6])[H:8],InChI=1S/C3H3NO/c1-3(5)2-4/h1H3,"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2",99.87845,0.8485299999999999,
4643,[C:1]([C:2](=[O:3])[C:4]#[N:5])([H:6])([H:7])[H:8],[C:1](=[C:2]([O:3][H:7])[C:4]#[N:5])([H:6])[H:8],InChI=1S/C3H3NO/c1-3(5)2-4/h1H3,"InChI=1S/C3H3NO/c1-3(5)2-4/h5H,1H2",68.3124,8.27801,ketoenol
4644,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[C:6][H:8])[H:7],[O+:1](=[C-:2][H:7])[c:5]1[c:3](=[O:4])[c:6]1[H:8],"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H",InChI=1S/C4H2O2/c1-6-4-2-3(4)5/h1-2H,90.50706,73.37952,
4645,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[C:6][H:8])[H:7],[C-:3]([O:4][H:7])=[C:5]=[C+:6][H:8].[O+:1]#[C-:2],"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H","InChI=1S/C3H2O.CO/c1-2-3-4;1-2/h1,4H;",54.953469999999996,44.52082,
4646,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[C:6][H:8])[H:7],[O:1]=[C:2]([C:6](=[C:5]=[C:3]=[O:4])[H:8])[H:7],"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H","InChI=1S/C4H2O2/c5-3-1-2-4-6/h1,3H",55.40526,-4.80651,
4647,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[C:6][H:8])[H:7],[O:1]1[C@@:2]2([H:7])[C:3](=[O:4])[C:5]2=[C:6]1[H:8],"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H","InChI=1S/C4H2O2/c5-3-2-1-6-4(2)3/h1,4H/t4-/m1/s1",69.16705999999999,57.35485,
4648,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[C:6][H:8])[H:7],[O-:1][C:2](=[C:3]=[O+:4][C:5]#[C:6][H:8])[H:7],"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H","InChI=1S/C4H2O2/c1-2-6-4-3-5/h1,3H",104.07714,76.26753000000001,
4649,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[C:6][H:8])[H:7],[C:3](=[O:4])=[C:5]=[C:6]([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H",InChI=1S/C3H2O.CO/c1-2-3-4;1-2/h1H2;,35.48386,-5.46476,
4650,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[C:6][H:8])[H:7],[O:1]=[C:2]([O+:4]=[C-:3][C:5]#[C:6][H:8])[H:7],"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H","InChI=1S/C4H2O2/c1-2-3-6-4-5/h1,4H",57.12613,42.08211,
4651,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[C:6][H:8])[H:7],[O:1]([C:2](=[C:3]=[O:4])[H:7])[C:5]#[C:6][H:8],"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H","InChI=1S/C4H2O2/c1-2-6-4-3-5/h1,4H",90.86525,32.20265,ketoenol
4652,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[C:6][H:8])[H:7],[O:1]=[C:2]([C:3](=[O:4])[C:5](=[C:6])[H:8])[H:7],"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H",InChI=1S/C4H2O2/c1-2-4(6)3-5/h2-3H,41.24774,45.143359999999994,Singlet_Carbene_Intra_Disproportionation
4653,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[O+:2]=[C-:3][C:6]([H:13])([H:14])[C:5]([H:11])([H:12])[C:4]1([H:9])[H:10],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-4H2,92.31300999999999,21.87245,
4654,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C+:1](=[C:3]([O-:2])[C:4]([C:5]([C:6]([H:8])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:7],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-3-4-5(2)6/h2H,3-4H2,1H3",103.96294,43.73912,
4655,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C-:1](=[O+:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-6-5-3-2-4-5/h1,5H,2-4H2",78.19711,47.20774,
4656,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C:1](=[O:2])([H:7])[H:8].[C:3]1([H:10])=[C:4]([H:9])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,"InChI=1S/C4H6.CH2O/c1-2-4-3-1;1-2/h1-2H,3-4H2;1H2",81.95591,14.455279999999998,
4657,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[O:2][C:3]1=[C:6]([H:13])[H:14].[C:4](=[C:5]([H:11])[H:12])([H:9])[H:10],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,InChI=1S/C3H4O.C2H4/c1-3-2-4-3;1-2/h1-2H2;1-2H2,103.43321,27.789559999999998,
4658,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[O:2][C@@:3]1([C:4]([H:9])([H:10])[H:11])[C:6]([C:5][H:12])([H:13])[H:14],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-3-5(2)4-6-5/h1H,3-4H2,2H3/t5-/m0/s1",82.71414,73.69668,
4659,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C:1](=[O:2])([H:7])[H:8].[C@@:3]12([H:12])[C:4]([H:9])([H:10])[C@:5]1([H:11])[C:6]2([H:13])[H:14],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,"InChI=1S/C4H6.CH2O/c1-3-2-4(1)3;1-2/h3-4H,1-2H2;1H2/t3-,4+;",92.31629000000001,28.75409,
4660,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C-:1]([O+:2]=[C:3]1[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])[H:8],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,InChI=1S/C5H8O/c1-6-5-3-2-4-5/h1-4H2,68.30447,51.92292,
4661,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C:1]([C:3]1([O:2][H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-5(6)3-2-4-5/h1,6H,2-4H2",71.73835,67.1359,
4662,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:2]([C:3]([H:7])([H:8])[H:9])[C@@:6]1([H:12])[C:4][C:5]1([H:10])[H:11],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c1-4(6)5-2-3-5/h5H,2H2,1H3/t5-/m1/s1",75.81195,67.20593000000001,
4663,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:11])[C@:6]1([C:5][H:10])[H:12],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c1-4-2-3-5(4)6/h1,4H,2-3H2/t4-/m1/s1",68.91624,70.05813,
4664,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]1[C:2]2=[C:6]([H:12])[C:5]([H:10])([H:11])[C@:4]1([H:9])[C:3]2([H:7])[H:8],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h1,5H,2-3H2/t5-/m1/s1",114.95177,109.31546000000002,ketoenol
4665,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@:4]1([C:6](=[C:5]([H:10])[H:11])[H:12])[H:9],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c1-2-4-3-5(4)6/h2,4H,1,3H2/t4-/m1/s1",85.33059,14.777610000000001,
4666,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[C:3](=[C:4]([C:6](=[C:5]([H:10])[H:11])[H:12])[H:9])([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6.CO/c1-3-4-2;1-2/h3-4H,1-2H2;",80.12716,-3.34645,
4667,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@:6]1([C:5]([C:4][H:9])([H:10])[H:11])[H:12],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4H,2-3H2/t4-/m1/s1",98.1654,96.0964,
4668,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:2]=[C:6]([C:5]([C:4](=[C:3]([H:7])[H:8])[H:9])([H:10])[H:11])[H:12],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h2,4H,1,3H2",30.72669,-3.1150599999999997,
4669,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]([C:2]1=[C:6]2[C@@:4]([H:9])([C:3]1([H:7])[H:8])[C:5]2([H:10])[H:11])[H:12],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3,6H,1-2H2/t3-/m1/s1",76.19886,52.1028,ketoenol
4670,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4][C:5]([H:10])([H:11])[C:6]1([H:9])[H:12],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3-4H2",61.27471,43.865159999999996,
4671,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]([C:2]1=[C:3]([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12])[H:7],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h2-4,6H,1H2/t3-,4-/m1/s1",77.49714,26.1882,ketoenol
4672,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:2]([C:3]([C:4]1([H:9])[C:5]([H:10])=[C:6]1[H:12])([H:7])[H:8])[H:11],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c6-4-3-5-1-2-5/h1-2,4-5H,3H2",92.69609,30.022640000000003,
4673,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O-:1][C:2](=[C+:3][H:8])[C:6]1([H:12])[C:4]([H:7])([H:9])[C:5]1([H:10])[H:11],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c1-4(6)5-2-3-5/h1,5H,2-3H2",80.0431,68.63866,
4674,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([C:5][H:11])([H:9])[C:6]1([H:10])[H:12],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c1-4-2-5(6)3-4/h1,4H,2-3H2",68.88136999999999,69.25345,
4675,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[C:4]1([H:9])=[C:6]([H:12])[C:5]1([H:10])[H:11].[O:1]=[C:2]=[C:3]([H:7])[H:8],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H4.C2H2O/c1-2-3-1;1-2-3/h1-2H,3H2;1H2",74.87714,46.265159999999995,
4676,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]([C+:2]1[C:3]([H:7])([H:8])[C-:4]2[C:5]([H:10])([H:11])[C@@:6]12[H:12])[H:9],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h4,6H,1-2H2/t4-/m1/s1",91.97306999999999,57.20469,
4677,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2",69.89161999999999,-29.423059999999996,
4678,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[O:4][C:5]1([H:14])[H:15])([H:7])([H:8])[H:9].[O:6]([H:13])[H:16],"InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3","InChI=1S/C4H8O.H2O/c1-4(2)3-5-4;/h3H2,1-2H3;1H2",72.54651,21.553929999999998,
4679,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:11])[O:4][H:13])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:14])[H:15].[H:12][H:16],"InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3","InChI=1S/C3H6O.CH2O.H2/c1-3(2)4;1-2;/h4H,1H2,2H3;1H2;1H",90.79736,43.89219,
4680,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C:5]([C:2]([C:3]([H:10])([H:11])[H:12])=[O:4])([H:14])[H:15])([H:7])([H:8])[H:9].[O:6]([H:13])[H:16],"InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3","InChI=1S/C4H8O.H2O/c1-3-4(2)5;/h3H2,1-2H3;1H2",74.95701,-1.57054,
4681,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2][C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9].[C:3]([O:4][H:13])([H:10])([H:11])[H:12],"InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3","InChI=1S/C3H6O.CH4O/c1-2-3-4;1-2/h4H,3H2,1H3;2H,1H3",124.44018999999999,100.40911,
4682,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[O:4]([C:5]([O:6][H:16])([H:14])[H:15])[H:13],"InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3","InChI=1S/C3H6.CH4O2/c1-3-2;2-1-3/h1-2H3;2-3H,1H2",117.89485,90.45691,
4683,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:4])[C:5]([O:6][H:13])([H:14])[H:15])([H:7])([H:8])[H:9].[C:3]([H:10])([H:11])([H:12])[H:16],"InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3","InChI=1S/C3H6O2.CH4/c1-3(5)2-4;/h4H,2H2,1H3;1H4",72.17702,3.46486,
4684,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:15])([H:7])([H:8])[H:9].[O:4]([H:13])[H:16],"InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3","InChI=1S/C4H8O.H2O/c1-4(2)3-5;/h3-4H,1-2H3;1H2",60.38456,3.7747800000000002,
4685,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:10])([H:11])[H:12])[C:5]([O:6][H:16])([H:14])[H:15])([H:8])[H:9].[O:4]([H:7])[H:13],"InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3","InChI=1S/C4H8O.H2O/c1-4(2)3-5;/h5H,1,3H2,2H3;1H2",66.62005,17.03339,"1,3_Insertion_ROR"
4686,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[C:3]1=[C:4]([C:5](=[O:6])[H:12])[H:8],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c6-4-3-5-1-2-5/h3-4H,1-2H2",95.98304,0.15004,
4687,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:6][C:5](=[C:4]=[C:3]=[C:2]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c1-3-4-5-6-2/h5H,1H2,2H3",110.22555,24.56746,
4688,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[C:3]/[C:4]1=[C:5](/[O:6][H:8])[H:12],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c6-4-5-2-1-3-5/h4,6H,1-2H2/b5-4+",95.44829,59.430119999999995,
4689,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C-:4][H:12])[C:5]#[O+:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c1-3-5(2)4-6/h2H,3H2,1H3",57.10334,30.94142,
4690,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]=[C:5]([O:6][H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c1-2-3-4-5-6/h2,5-6H,1H3",60.452780000000004,13.736939999999999,
4691,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[C:3]1=[C:4]=[C:5]([O:6][H:8])[H:12],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c6-4-3-5-1-2-5/h4,6H,1-2H2",73.64392,24.315479999999997,
4692,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:4](=[C:3]=[C:2]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c1-3-5(2)4-6/h4H,1H2,2H3",95.72025,-7.20763,
4693,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:5](=[C:4])[H:12])=[O:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c1-3-5(6)4-2/h4H,3H2,1H3",69.91751,43.27876,
4694,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C+:4]=[C:5]([O-:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c1-2-3-4-5-6/h2-3,5H,1H3/b3-2-",67.40578000000001,48.628479999999996,
4695,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]#[C:5][H:12])=[O:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3",69.94555,-1.7592700000000001,
4696,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[C:3][C@@:4]1([C:5](=[O:6])[H:12])[H:8],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c6-4-5-2-1-3-5/h4-5H,1-2H2/t5-/m1/s1",88.21221,60.34065,
4697,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c1-3-5(2)4-6/h4H,3H2,1H3",52.19375,52.701480000000004,
4698,[C:1]([O:2][C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][C:3]([C:5](=[C:4])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-4-5-2/h1H,4H2,2H3","InChI=1S/C4H6O/c1-3-4-5-2/h3H,4H2,2H3",53.99802,46.516490000000005,Singlet_Carbene_Intra_Disproportionation
4699,[C:1]([O:2][C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][C:5](=[C:4]=[C:3]([H:9])[H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-4-5-2/h1H,4H2,2H3","InChI=1S/C4H6O/c1-3-4-5-2/h4H,1H2,2H3",66.55559000000001,-2.53497,
4700,[C:1]([O:2][C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2]/[C:3](=[C:4](\[C:5][H:11])[H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-4-5-2/h1H,4H2,2H3","InChI=1S/C4H6O/c1-3-4-5-2/h1,3-4H,2H3/b4-3-",67.73205,49.6483,
4701,[C:1]([n:2]1[n:3][c:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[N:3][C:4](=[C:5]=[N:6][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-5-6-3-2-4/h3-4H,1H3",82.42143,41.26972,
4702,[C:1]([n:2]1[n:3][c:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N-:2][N+:6]#[C:5][H:11])([H:7])([H:8])[H:9].[N:3]#[C:4][H:10],"InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2-3H,1H3","InChI=1S/C2H4N2.CHN/c1-3-4-2;1-2/h1H,2H3;1H",85.24887,64.69937,
4703,[C:1]([n:2]1[n:3][c:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[N+:2]1[N-:3][C:4]([H:8])([H:10])[C:5]([H:11])=[N:6]1)([H:7])[H:9],"InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2H,1,3H2",107.81043999999999,53.06765,
4704,[C:1]([n:2]1[n:3][c:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]1[N-:3][C:4]([H:10])=[C+:5][N:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2,5H,1H3",82.41878,54.27795,
4705,[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](/[C:2]([O:3][H:11])=[C:4](/[O:5][H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O2/c1-3(5)2-4/h2,4-5H,1H3/b3-2-",66.9383,9.60406,ketoenol
4706,[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:9])([H:6])([H:7])[H:8].[H:10][H:11],"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H4O2.H2/c1-3(5)2-4;/h2H,1H3;1H",92.16988,29.833909999999996,
4707,[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([O:3][H:8])[C:4]([O:5][H:11])([H:9])[H:10])([H:6])[H:7],"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O2/c1-3(5)2-4/h4-5H,1-2H2",67.13776999999999,14.2704,ketoenol
4708,[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C@:2]([O:3][H:11])([C:4](=[O:5])[H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m0/s1",42.1965,5.026619999999999,
4709,[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C@:2]1([O:3][H:11])[C:4]([H:9])([H:10])[O:5]1)([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O2/c1-3(4)2-5-3/h4H,2H2,1H3/t3-/m1/s1",54.7758,19.72182,
4710,[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([O:3][O:5][H:11])=[C:4]([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O2/c1-3(2)5-4/h4H,1H2,2H3",127.06166,68.38804,ketoenol
4711,[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O+:3]=[C-:2][C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O2/c1-5-3-2-4/h4H,2H2,1H3",114.30416000000001,67.10044,
4712,[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C-:2]=[O+:3][C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O2/c1-2-5-3-4/h4H,3H2,1H3",107.29271000000001,61.14585,
4713,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[n:6]1)[H:7],[O:1]([C:2]1=[N:6][C@:5]2([H:8])[N:3]1[O:4]2)[H:7],"InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)","InChI=1S/C2H2N2O2/c5-1-3-2-4(1)6-2/h2H,(H,3,5)/t2-,4?/m1/s1",81.28412,69.54337,
4714,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[n:6]1)[H:7],[C:5](#[N:6])[H:8].[O:1]([C:2]#[N+:3][O-:4])[H:7],"InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)",InChI=1S/CHNO2.CHN/c3-1-2-4;1-2/h3H;1H,79.65283000000001,70.74576,
4715,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[n:6]1)[H:7],[O:1]([N:3]=[C:2]=[N:6][C:5](=[O:4])[H:8])[H:7],"InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)","InChI=1S/C2H2N2O2/c5-2-3-1-4-6/h2,6H",68.84983000000001,38.6641,
4716,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[n:6]1)[H:7],[C:5](#[N:6])[H:8].[O:1]([C:2]1=[N:3][O:4]1)[H:7],"InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)","InChI=1S/CHNO2.CHN/c3-1-2-4-1;1-2/h(H,2,3);1H",111.87494,65.52224,
4717,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[n:6]1)[H:7],[O:1]=[c:2]1[n:3]([H:7])[o:4][c:5]([H:8])[n:6]1,"InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)","InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)",54.23529,5.3863,ketoenol
4718,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[n:6]1)[H:7],[O:1]([C:2]1=[N:3][N:6]1[C:5](=[O:4])[H:8])[H:7],"InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)","InChI=1S/C2H2N2O2/c5-1-4-2(6)3-4/h1H,(H,3,6)",63.845180000000006,46.26885,ketoenol
4719,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[n:6]1)[H:7],[O-:1][c:2]1[n:3][o:4][c:5]([H:8])[n+:6]1[H:7],"InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)","InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)",50.98335,16.51879,ketoenol
4720,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:11])[C:4]([C:5][O:6][H:16])([H:13])[H:14])([H:7])([H:8])[H:9].[H:12][H:15],"InChI=1S/C5H10O/c1-5(2)3-4(5)6/h4,6H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C5H8O.H2/c1-5(2)3-4-6;/h6H,1,3H2,2H3;1H",101.25506,66.13714,
4721,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])=[C:5]1[H:15])([H:7])([H:8])[H:9].[O:6]([H:14])[H:16],"InChI=1S/C5H10O/c1-5(2)3-4(5)6/h4,6H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C5H8.H2O/c1-5(2)3-4-5;/h3-4H,1-2H3;1H2",80.68835,36.06654,
4722,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:5]([C:4]([C:2][C:3]([H:10])([H:11])[H:12])([H:13])[H:14])([O:6][H:16])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4(5)6/h4,6H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C5H10O/c1-3-4-5(2)6/h5-6H,4H2,1-2H3/t5-/m0/s1",100.17333,62.0232,
4723,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])[H:9].[H:8][H:16],"InChI=1S/C5H10O/c1-5(2)3-4(5)6/h4,6H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C5H8O.H2/c1-5(2)3-4-6;/h4H,1,3H2,2H3;1H",59.80405,13.89981,
4724,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([C:5][O:6][H:16])([H:13])[H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4(5)6/h4,6H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C5H10O/c1-5(2)3-4-6/h5-6H,3H2,1-2H3",58.6786,38.68193,
4725,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2]1(=[C:3]([H:10])[H:11])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15],"InChI=1S/C5H10O/c1-5(2)3-4(5)6/h4,6H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C4H6O.CH4/c1-3-2-4(3)5;/h4-5H,1-2H2;1H4/t4-;/m1./s1",122.45862,30.73323,
4726,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:16])[C:5](=[O:6])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4(5)6/h4,6H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3",68.63866,-17.89645,
4727,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([C:5][H:15])([H:13])[H:14])[O:6][H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4(5)6/h4,6H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C5H10O/c1-4-5(2,3)6/h1,6H,4H2,2-3H3",97.05521,74.55006,
4728,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:4]([C@:5]([C:2][C:3]([H:10])([H:11])[H:12])([O:6][H:16])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4(5)6/h4,6H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C5H10O/c1-3-5(6)4-2/h5-6H,3H2,1-2H3/t5-/m1/s1",96.35325,62.499869999999994,
4729,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]2([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]12[H:15].[O:6]([H:8])[H:16],"InChI=1S/C5H10O/c1-5(2)3-4(5)6/h4,6H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C5H8.H2O/c1-5-2-4(5)3-5;/h4H,2-3H2,1H3;1H2",104.62589,27.879790000000003,
4730,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([O:6][H:16])([H:7])([H:8])[H:9].[C:2]1([C:3]([H:10])([H:11])[H:12])=[C:5]([H:15])[C:4]1([H:13])[H:14],"InChI=1S/C5H10O/c1-5(2)3-4(5)6/h4,6H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C4H6.CH4O/c1-4-2-3-4;1-2/h2H,3H2,1H3;2H,1H3",122.5523,47.93244,
4731,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:11])([H:14])[H:15])([H:12])[H:13])([H:7])([H:8])[H:9].[H:10][H:16],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2.H2/c1-4(6)2-3-5;/h5H,2-3H2,1H3;1H",64.24562,12.48932,
4732,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[H:14][H:16],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2.H2/c1-4(6)2-3-5;/h3-4,6H,2H2,1H3;1H/t4-;/m1./s1",82.46415999999999,16.493270000000003,
4733,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:11])([C:4]([H:12])([H:13])[H:15])[H:10])([H:7])([H:8])[H:9].[C:5]([O:6][H:16])[H:14],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H8O.CH2O/c1-3(2)4;1-2/h3-4H,1-2H3;1-2H",86.15028000000001,70.17458,
4734,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@@:4]1([C:5]([H:12])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9].[O:6]([H:11])[H:16],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O.H2O/c1-3-4(2)5-3;/h3-4H,1-2H3;1H2/t3-,4-;/m1./s1",81.42701,18.406010000000002,
4735,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2][O:3][H:11])([H:7])([H:8])[H:9].[C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:10])([H:12])[H:13],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C2H6O.C2H4O/c2*1-2-3/h3H,2H2,1H3;3H,1H3",84.85529,66.74075,
4736,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6]1)([H:7])([H:8])[H:9].[O:3]([H:11])[H:16],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O.H2O/c1-4-2-3-5-4;/h4H,2-3H2,1H3;1H2/t4-;/m1./s1",77.80943,21.376620000000003,
4737,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](\[C:5]([O:6][H:16])([H:14])[H:15])[H:13])[H:10])([H:7])([H:8])[H:9].[O:3]([H:11])[H:12],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O.H2O/c1-2-3-4-5;/h2-3,5H,4H2,1H3;1H2/b3-2-;",67.57457,16.45553,"1,3_Insertion_ROR"
4738,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4](=[C:5]([H:14])[H:15])[H:13])[H:10])([H:7])([H:8])[H:9].[O:6]([H:12])[H:16],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O.H2O/c1-3-4(2)5;/h3-5H,1H2,2H3;1H2/t4-;/m1./s1",68.92862,12.78952,"1,3_Insertion_ROR"
4739,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])(/[C:4](=[C:5](\[O:6][H:16])[H:14])[H:13])[H:10])([H:7])([H:8])[H:9].[H:12][H:15],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2.H2/c1-4(6)2-3-5;/h2-6H,1H3;1H/b3-2-;/t4-;/m1./s1",107.21666,28.40523,
4740,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4]([O:6][H:16])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:5]([H:14])[H:15],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H8O2.CH2/c1-3(5)2-4;/h3-5H,2H2,1H3;1H2/t3-;/m1./s1",128.39851000000002,112.10481999999999,
4741,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[H:8][H:10].[N:1](=[C:2]=[O:3])[H:7].[N:4](=[C:5]=[N:6][H:11])[H:9],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)",InChI=1S/CH2N2.CHNO.H2/c2*2-1-3;/h2-3H;2H;1H,89.24757,38.88469,
4742,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[N:1]([C@@:2]12[O:3][N:6]([H:11])[C@:5]1([H:10])[N:4]2[H:9])([H:7])[H:8],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/C2H5N3O/c3-2-1(4-2)5-6-2/h1,4-5H,3H2/t1-,2-/m0/s1",125.16763999999999,105.53063,
4743,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[N:1]([C:2](=[O:3])[N:4]([C-:5]=[N+:6]([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/C2H5N3O/c3-1-5-2(4)6/h3H2,(H3,4,5,6)",76.70404,31.202309999999997,
4744,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[C:5](#[N:6])[H:10].[N:1]([C+:2]([O:3][H:11])[N-:4][H:9])([H:7])[H:8],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/CH4N2O.CHN/c2-1(3)4;1-2/h2,4H,3H2;1H",41.183209999999995,27.24522,Retroene
4745,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[N:1]([C:2](=[O:3])/[N:4]=[C:5](/[N:6]([H:9])[H:11])[H:10])([H:7])[H:8],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)",40.528259999999996,-2.87419,
4746,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[N:1]([C:2]([O:3][H:9])=[N:4][C+:5]([N-:6][H:11])[H:10])([H:7])[H:8],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1,3H,(H3,4,5,6)",45.35093,20.55027,ketoenol
4747,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[N:1]([C+:2]([O:3]/[C:5](=[N:6]/[H:11])[H:10])[N-:4][H:9])([H:7])[H:8],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/C2H5N3O/c3-1-6-2(4)5/h1,3-4H,5H2/b3-1+",60.365280000000006,27.60437,ketoenol
4748,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[N:1]([C-:2]=[O+:3][C:5]1([H:10])[N:4]([H:9])[N:6]1[H:11])([H:7])[H:8],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/C2H5N3O/c3-1-6-2-4-5-2/h2,4-5H,3H2",136.62273000000002,97.71044,
4749,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[N:1](=[C:2](/[O:3][H:7])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])\[H:8],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)",45.05037,14.98516,ketoenol
4750,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[N:1]([C:2]12[O:3][C:5]([H:10])([N:4]1[H:9])[N:6]2[H:11])([H:7])[H:8],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/C2H5N3O/c3-2-4-1(5-2)6-2/h1,4-5H,3H2",99.08079000000001,91.44238,
4751,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[C:4]([C:5]#[C:6][H:11])([H:8])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C3H4.CHNO/c1-3-2;2-1-3/h1H,2H3;2H",81.94775,10.866760000000001,
4752,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:4](=[C:5]=[C:6]([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6/h3H,1H2,(H2,5,6)",77.21646,-2.5110099999999997,
4753,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([O:3][C:5]#[C:6][H:11])=[C:4]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C4H5NO/c1-3-6-4(2)5/h1H,2,5H2",91.22088000000001,42.6707,ketoenol
4754,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[H:8][H:10].[N:1](=[C:2]1\[O:3][C@@:4]1([C:5]#[C:6][H:11])[H:9])\[H:7],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C4H3NO.H2/c1-2-3-4(5)6-3;/h1,3,5H;1H/b5-4-;/t3-;/m1./s1",108.88571999999999,71.01177,
4755,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C-:2]=[O+:3][C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-6-4-5/h1H,3,5H2",107.57815,55.127480000000006,
4756,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:4]([C:6](=[C:5])[H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6/h2H,3H2,(H2,5,6)",59.333819999999996,50.39332,Singlet_Carbene_Intra_Disproportionation
4757,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])/[C:4](=[C:5](\[C:6][H:11])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6/h1-3H,(H2,5,6)/b3-2-",77.20309,61.6817,
4758,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[N:1](/[C:2]([O:3][H:10])=[C:4](\[C:5]#[C:6][H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6/h1,3,6H,5H2/b4-3+",57.32492,15.989729999999998,ketoenol
4759,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[C:4](=[C:5]=[C:6]([H:8])[H:11])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)",InChI=1S/C3H4.CHNO/c1-3-2;2-1-3/h1-2H2;2H,54.192609999999995,11.18783,Retroene
4760,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6-3/h1,3-4H,5H2/t3-,4+/m0/s1",104.11281,42.72099,
4761,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](\[O:4][C:5](=[O:6])[H:10])[H:8])[H:7])[H:9],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2",InChI=1S/C3H4O3/c4-1-2-6-3-5/h1-4H/b2-1-,48.02675,5.62944,ketoenol
4762,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]1[C@:2]2([H:7])[C:3]([H:8])([H:9])[O:4][C@@:5]1([H:10])[O:6]2,"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2","InChI=1S/C3H4O3/c1-2-5-3(4-1)6-2/h2-3H,1H2/t2-,3+",59.5821,40.26423,
4763,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:5]([O:4][H:10])=[O:6],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2","InChI=1S/C3H4O3/c1-2-6-3(4)5/h2H,1H2,(H,4,5)",121.56026000000001,-7.80485,
4764,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([O:6][C:5](=[O+:4][C-:3]([H:8])[H:9])[H:10])[H:7],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2","InChI=1S/C3H4O3/c1-5-3-6-2-4/h2-3H,1H2",81.02008000000001,71.30866999999999,
4765,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[H:7][H:9].[O:1]=[C:2]=[C:3]([O:4][C:5](=[O:6])[H:10])[H:8],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2",InChI=1S/C3H2O3.H2/c4-1-2-6-3-5;/h2-3H;1H,78.62432,34.17965,
4766,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[C-:5]#[O+:6].[H:9][H:10].[O:1]=[C:2]([C:3](=[O:4])[H:8])[H:7],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2",InChI=1S/C2H2O2.CO.H2/c3-1-2-4;1-2;/h1-2H;;1H,74.18535,36.89622,
4767,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2][C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2","InChI=1S/C3H4O3/c4-1-2-6-3-5/h3-4H,2H2",79.04264,48.91109,
4768,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([O+:4]=[C-:5][O:6][H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2","InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,5H,2H2",77.10789,43.91774,
4769,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O+:1](=[C-:2][H:7])[C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2","InChI=1S/C3H4O3/c1-5-3-6-2-4/h1-2H,3H2",112.67658,63.178290000000004,
4770,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[O:4]1)[C:5](=[O:6])[H:10],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2","InChI=1S/C3H4O3/c4-2-6-3-1-5-3/h2-3H,1H2/t3-/m0/s1",62.5506,21.32021,
4771,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([H:7])([H:8])[H:9])[O:6][C:5](=[O:4])[H:10],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2","InChI=1S/C3H4O3/c1-3(5)6-2-4/h2H,1H3",70.74167,-16.44428,
4772,[C:1]([C:2]([C:3]([C:4]#[N:5])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3](=[C:4]=[N:5][H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3","InChI=1S/C4H7N/c1-2-3-4-5/h3,5H,2H2,1H3",93.37102,24.80232,
4773,[C:1]([C:2]([C:3]([C:4]#[N:5])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([N+:5]#[C-:4])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3","InChI=1S/C4H7N/c1-3-4-5-2/h3-4H2,1H3",59.94756999999999,22.90595,
4774,[C:1]([C:2]([C:3]([C:4]#[N:5])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C@:2]1([H:9])[C:3]([H:11])([H:12])/[C:4]1=[N:5]/[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3","InChI=1S/C4H7N/c1-3-2-4(3)5/h3,5H,2H2,1H3/b5-4-/t3-/m1/s1",109.47913999999999,36.68284,
4775,[C:1]([C:2]([C:3]([C:4]#[N:5])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([N:5]=[C:4]=[C:3]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3","InChI=1S/C4H7N/c1-3-5-4-2/h1,4H2,2H3",97.68016999999999,28.69766,
4776,[C:1]([N:2]([C:3](=[O:4])[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C-:1]([N+:2]([C:3](=[O:4])[C:5]([H:10])([H:11])[H:12])([H:6])[H:9])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)","InChI=1S/C3H7NO/c1-3(5)4-2/h2,4H2,1H3",101.97195,79.87125999999999,
4777,[C:1]([N:2]([C:3](=[O:4])[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1](/[N:2]=[C:3](/[O:4][H:9])[C:5]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)","InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)",42.853770000000004,12.62235,ketoenol
4778,[C:1]([N:2]([C:3](=[O:4])[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([N:2]([C:3]([O:4][H:10])=[C:5]([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)","InChI=1S/C3H7NO/c1-3(5)4-2/h4-5H,1H2,2H3",63.48627,25.94255,ketoenol
4779,[C:1]([N:2]([C:3](=[O:4])[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C+:1]([N:2]([C:3]([O-:4])=[C:5]([H:11])[H:12])[H:9])([H:7])[H:8].[H:6][H:10],"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)","InChI=1S/C3H5NO.H2/c1-3(5)4-2;/h4H,1-2H2;1H",96.23003,73.02775,
4780,[C:1]([N:2]([C:3](=[O:4])[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([O:4]/[C:3](=[N:2]/[H:9])[C:5]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)","InChI=1S/C3H7NO/c1-3(4)5-2/h4H,1-2H3/b4-3+",75.77704,15.61077,ketoenol
4781,[C:1]([N:2]([C:3](=[O:4])[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([N:2]=[C:3]=[O:4])([H:6])([H:7])[H:8].[C:5]([H:9])([H:10])([H:11])[H:12],"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)",InChI=1S/C2H3NO.CH4/c1-3-2-4;/h1H3;1H4,80.65250999999999,11.33343,
4782,[C:1]([N:2]([C:3](=[O:4])[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C-:3]#[O+:4].[C:1]([N:2]([C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)","InChI=1S/C2H7N.CO/c1-3-2;1-2/h3H,1-2H3;",112.9167,26.778059999999996,"1,2_Insertion_CO"
4783,[C:1]([N:2]([C:3](=[O:4])[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1](=[N:2][H:9])([H:7])[H:8].[C:3](=[O:4])([C:5]([H:10])([H:11])[H:12])[H:6],"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)","InChI=1S/C2H4O.CH3N/c1-2-3;1-2/h2H,1H3;2H,1H2",106.16038999999999,38.50071,
4784,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:9])([H:10])[O:4][N:5]=[C:6]1[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2H,1,3H2",98.88996,21.84405,
4785,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[O:4]/[C:6]1=[N:5]/[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-3-2-6-4(3)5/h2,5H,1H3/b5-4+",58.69491,10.93169,
4786,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:10])=[C:6]=[N:5][H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(2-5)3-6/h3,5H,1H3",58.70094,-3.5187,
4787,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[C:6]([N:5]=[O:4])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-2-3-4-5-6/h2,4H,1H3",86.25972,55.72441,
4788,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[O-:4][N+:5]#[C:6][H:11],"InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3","InChI=1S/C3H4.CHNO/c1-3-2;1-2-3/h1H,2H3;1H",96.31352,72.48506,
4789,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[O+:4][N-:5][C:6]1([H:9])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h3H,1-2H2",120.62906000000001,66.66338,
4790,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C-:3]=[O+:4][N:5]=[C:6]1[H:11])([H:7])[H:8].[H:9][H:10],"InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3","InChI=1S/C4H3NO.H2/c1-4-2-5-6-3-4;/h2H,1H2;1H",123.64381999999999,82.71339,
4791,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:3](=[O:4])[H:10])[N:5]=[C:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(3-6)2-5-4/h2-3H,1H3/t4-/m1/s1",63.19542,18.14132,ketoenol
4792,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([O:5]/[C:4](=[N:2]/[C:3]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3,InChI=1S/C4H9NO/c1-4(5-2)6-3/h1-3H3/b5-4+,73.64304,16.06789,ketoenol
4793,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1](=[N:2][C:3]([H:10])([H:11])[H:12])([H:7])[H:9].[C:4](=[O:5])([C:6]([H:13])([H:14])[H:15])[H:8],InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3,"InChI=1S/C2H5N.C2H4O/c1-3-2;1-2-3/h1H2,2H3;2H,1H3",92.11735999999999,34.34165,
4794,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([O:5][H:15])=[C:6]([H:13])[H:14])([H:7])([H:8])[H:9],InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3,"InChI=1S/C4H9NO/c1-4(6)5(2)3/h6H,1H2,2-3H3",60.84571999999999,23.69023,ketoenol
4795,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([N+:2](=[C:3]([H:10])[H:11])[C:4]([O-:5])=[C:6]([H:13])[H:14])([H:7])([H:8])[H:9].[H:12][H:15],InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3,"InChI=1S/C4H7NO.H2/c1-4(6)5(2)3;/h1-2H2,3H3;1H",93.18216,67.11459,
4796,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C@:4]1([H:15])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3,"InChI=1S/C4H9NO/c1-5(2)4-3-6-4/h4H,3H2,1-2H3/t4-/m1/s1",110.74049,43.75178,
4797,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4][O:6][H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([H:14])([H:15])([H:16])[H:17],"InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","InChI=1S/C4H8O.CH4/c1-2-3-4-5;/h5H,2-3H2,1H3;1H4",83.87325,59.701969999999996,
4798,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[n:6]1[H:10],[C:4](#[C:5][H:9])[H:8].[O:1]1/[C:2](=[N:3]\[H:7])[N:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C2H2.CH2N2O/c1-2;2-1-3-4-1/h1-2H;(H2,2,3)",147.52229,128.03932,
4799,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[n:6]1[H:10],[O:1]=[C:2]1[N+:3]([H:7])([H:8])[C-:4]=[C:5]([H:9])[N:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1H,5H2,(H,4,6)",89.30292,73.44521999999999,
4800,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[n:6]1[H:10],[O:1]([c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[n:6]1)[H:10],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)",51.215140000000005,8.04921,ketoenol
4801,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[n:6]1[H:10],[N:3](=[C:4]=[C:5]([H:8])[H:9])[H:7].[O:1]=[C:2]=[N:6][H:10],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C2H3N.CHNO/c1-2-3;2-1-3/h3H,1H2;2H",104.09464,35.51361,
4802,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[n:6]1[H:10],[N:3](=[C:4]([C:5](=[N:6]/[H:10])/[H:9])\[H:8])\[H:7].[O+:1]#[C-:2],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C2H4N2.CO/c3-1-2-4;1-2/h1-4H;/b3-1+,4-2+;",77.71302,45.17021,
4803,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[n:6]1[H:10],[O:1]=[C:2](/[N:3]=[C:4]([C:5](=[N:6]\[H:10])\[H:9])/[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c4-1-2-5-3-6/h1-4H/b4-1+,5-2-",75.25788,41.74729,
4804,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[n:6]1[H:10],[O:1]=[C:2]1[N+:3]([H:7])=[C-:4][C:5]([H:8])([H:9])[N:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h5H,1H2,(H,4,6)",55.215680000000006,37.06467,Singlet_Carbene_Intra_Disproportionation
4805,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O:1]([C:2]1=[C:6]2[C@@:4]([H:7])([O:3]1)[C:5]2([H:8])[H:9])[H:10],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1","InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h3,5H,1H2/t3-/m0/s1",89.66521999999999,61.06436,ketoenol
4806,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O:1]=[C:2]1[O:3][C@:4]([C:5][H:8])([H:7])[C:6]1([H:9])[H:10],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1","InChI=1S/C4H4O2/c1-3-2-4(5)6-3/h1,3H,2H2/t3-/m0/s1",64.08145999999999,61.09276,
4807,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O:1]=[C:2]=[C:6]([C@@:4]1([H:7])[O:3][C:5]1([H:8])[H:9])[H:10],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1","InChI=1S/C4H4O2/c5-2-1-4-3-6-4/h1,4H,3H2/t4-/m1/s1",83.35618000000001,11.67234,
4808,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O:1]=[C:2]=[C:6]([C:5]([C:4](=[O:3])[H:7])([H:8])[H:9])[H:10],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1","InChI=1S/C4H4O2/c5-3-1-2-4-6/h1,4H,2H2",25.66303,-11.53538,
4809,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O:1]=[C:2]1[O+:3]=[C-:4][C@:6]1([C:5]([H:7])([H:8])[H:9])[H:10],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1","InChI=1S/C4H4O2/c1-3-2-6-4(3)5/h3H,1H3/t3-/m1/s1",55.572990000000004,32.88862,
4810,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O-:1][C:2]1=[C+:6][C:5]([H:8])([H:9])[C:4]([H:7])([H:10])[O:3]1,"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1","InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1,3H2",64.16495,49.728359999999995,
4811,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O:1]=[C:2]1[O:3][C:4]([H:7])([H:9])[C@:6]1([C:5][H:8])[H:10],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1","InChI=1S/C4H4O2/c1-3-2-6-4(3)5/h1,3H,2H2/t3-/m1/s1",70.23275,68.29123,
4812,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O:1]=[C:2](/[C:6](=[C:5](\[C:4](=[O:3])[H:7])[H:8])[H:10])[H:9],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1",InChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H/b2-1-,114.17661000000001,-5.87599,
4813,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O:1]=[C:2]1[O+:3]=[C-:4][C:5]([H:8])([H:9])[C:6]1([H:7])[H:10],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1",InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H2,55.649469999999994,15.16342,
4814,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O:1]([C:2]1=[O+:3][C-:4]2[C:5]([H:8])([H:9])[C@@:6]12[H:10])[H:7],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1","InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2,5H,1H2/t2-/m1/s1",105.20985,56.400619999999996,
4815,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O+:1]#[C-:2].[O:3]=[C:4]([C:6](=[C:5]([H:8])[H:9])[H:10])[H:7],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1","InChI=1S/C3H4O.CO/c1-2-3-4;1-2/h2-3H,1H2;",61.46414,-9.37435,
4816,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:7])[H:9].[C:3]([C:4]([H:11])([H:12])[H:13])(=[C:5]=[N:6][H:8])[H:10],"InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1","InChI=1S/C3H5N.CH2O/c1-2-3-4;1-2/h2,4H,1H3;1H2",61.10181,29.68463,Retroene
4817,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](=[O+:2][C:3]([C:4]([H:11])([H:12])[H:13])=[C:5]=[N-:6])([H:7])[H:9].[H:8][H:10],"InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1","InChI=1S/C4H5NO.H2/c1-4(3-5)6-2;/h2H2,1H3;1H",79.31721999999999,72.90388,
4818,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:4]([H:11])([H:12])[H:13])[H:10])([H:7])[H:9].[C:5](#[N:6])[H:8],"InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1","InChI=1S/C3H6O.CHN/c1-3-4-2;1-2/h3H,2H2,1H3;1H",73.20163000000001,79.35744,
4819,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([N+:6]#[C-:5])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(5-2)6-3/h4H,1,3H3/t4-/m0/s1",52.41128,17.62267,
4820,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[O:2][C@:3]([C:4]([H:11])([H:12])[H:13])([H:10])[C:5][N:6]1[H:8],"InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h4-5H,3H2,1H3/t4-/m0/s1",84.89072,33.93078,
4821,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][H:10])([H:7])([H:8])[H:9].[C:4]([C:5]#[N:6])([H:11])([H:12])[H:13],"InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1","InChI=1S/C2H3N.C2H4O/c1-2-3;1-3-2/h1H3;1H,2H3",87.47791,63.6866,
4822,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])=[C:5]=[N:6][H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(3-5)6-2/h5H,1-2H3",89.40423,25.72285,
4823,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N+:3]1([H:11])[C:2]([H:10])=[C:5]([O-:6])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2,6H,3H2,1H3",101.71301,35.81026,
4824,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C+:2]1[N:3]([H:11])[C:4]([H:12])=[C:5]1[O-:6])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H5NO.H2/c1-3-4(6)2-5-3;/h2,5H,1H3;1H",84.22954,71.93771,
4825,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C+:2]([N:3]([C-:4]([H:12])[H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C3H7N.CO/c1-3-4-2;1-2/h3-4H,2H2,1H3;",44.85263,30.61555,
4826,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[H:11])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[O:6])([H:12])[H:13],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C2H5N.C2H2O/c2*1-2-3/h2-3H,1H3;1H2/b3-2+;",62.08733,7.005560000000001,
4827,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[O:6])[H:10])([H:7])([H:8])[H:9].[N:3](=[C:4]([H:12])[H:13])[H:11],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C3H4O.CH3N/c1-2-3-4;1-2/h2H,1H3;2H,1H2",59.456480000000006,15.30812,
4828,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]([N:3]([C:4][H:12])[H:11])([C:5](=[O:6])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H7NO/c1-4(3-6)5-2/h2-5H,1H3/t4-/m1/s1",52.20496,37.45174,
4829,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N+:3]2([H:11])[C:4]([H:12])([H:13])[C-:5]1[O:6]2)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6NO/c1-3-4-2-5(3)6-4/h3H,2H2,1H3/q-1/p+1/t3-/m1/s1",147.30834,138.95395,
4830,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]([C:4]([C:5](=[O:6])[H:8])([H:12])[H:13])[H:11])[H:10])([H:7])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h2,4-5H,1,3H2",78.47294000000001,1.0387600000000001,
4831,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N+:3]([H:11])([H:12])[C:4]([H:13])=[C:5]1[O-:6])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h2-3,5-6H,1H3/t3-/m1/s1",60.88289,28.839059999999996,
4832,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:5]([C:4]([N:3]([C:2][H:10])[H:11])([H:12])[H:13])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H7NO/c1-4(6)3-5-2/h2,5H,3H2,1H3",60.413309999999996,32.41424,
4833,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([O-:6])[C:4]([H:12])([H:13])[N+:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h5-6H,2H2,1H3",61.02989,30.058120000000002,
4834,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C:4]([C:5]([C:6]([H:10])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3,5-6H2,1-2H3",88.61839,82.28813000000001,
4835,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:14])=[C:5]([H:15])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9].[H:13][H:16],"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H10.H2/c1-6-4-2-3-5-6;/h2-3,6H,4-5H2,1H3;1H",119.10356000000002,27.34048,
4836,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([C:6]([C:5]([C:4]([H:7])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18])([H:10])[C:3]1([H:11])[H:12],"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3",120.28456000000001,19.948520000000002,
4837,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:17])[H:18])([H:15])[H:16],"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3","InChI=1S/C4H8.C2H4/c1-3-4-2;1-2/h3H,1,4H2,2H3;1-2H2",113.75034,37.9551,
4838,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:4]([H:11])([H:13])[H:14])[H:12])[H:10])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:17])[H:18])([H:15])[H:16],"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3","InChI=1S/C4H8.C2H4/c1-3-4-2;1-2/h3-4H,1-2H3;1-2H2/b4-3+;",112.92163000000001,34.884170000000005,
4839,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C@:5]([C:4]([C:3]([H:11])([H:12])[H:16])([H:13])[H:14])([H:15])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1",132.6837,19.199460000000002,
4840,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:6]([C:5]([C:4]([C:3]([H:7])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18])[H:10])([H:8])[H:9],"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",106.22475,16.787570000000002,
4841,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:18])[C:5]([H:15])([H:16])[C:4]([H:13])([H:14])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9].[H:10][H:17],"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H10.H2/c1-6-4-2-3-5-6;/h4H,2-3,5H2,1H3;1H",121.54637,24.3627,
4842,[C:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([O:5][H:15])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3]([C:4]([H:12])([H:13])[H:14])(=[O:5])[H:11].[H:6][H:15],"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C2H4O.C2H4.H2/c1-2-3;1-2;/h2H,1H3;1-2H2;1H",85.68503,43.284290000000006,
4843,[C:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([O:5][H:15])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3][O:5][H:15])([H:9])[H:10])([H:6])([H:7])[H:8].[C:4]([H:11])([H:12])([H:13])[H:14],"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O.CH4/c1-2-3-4;/h4H,2H2,1H3;1H4",83.848,59.78431,
4844,[C:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([O:5][H:15])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](/[C:2](=[C:3](/[C:4]([H:12])([H:13])[H:14])[H:11])[H:9])([H:6])([H:7])[H:8].[O:5]([H:10])[H:15],"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C4H8.H2O/c1-3-4-2;/h3-4H,1-2H3;1H2/b4-3+;",66.57336,11.045960000000001,"1,3_Insertion_ROR"
4845,[C:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([O:5][H:15])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:5][H:15])([H:6])([H:7])[H:8].[C:2](=[C:3]([C:4]([H:12])([H:13])[H:14])[H:11])([H:9])[H:10],"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6.CH4O/c1-3-2;1-2/h3H,1H2,2H3;2H,1H3",114.56985,27.0167,"1,3_Insertion_ROR"
4846,[C:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([O:5][H:15])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3][H:11])([H:9])[H:10])([H:6])([H:7])[H:8].[C:4]([O:5][H:15])([H:12])([H:13])[H:14],"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6.CH4O/c1-3-2;1-2/h1H,3H2,2H3;2H,1H3",129.40899,29.7291,
4847,[C:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([O:5][H:15])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8].[C:4]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O.CH4/c1-2-3-4;/h3H,2H2,1H3;1H4",83.2588,8.24978,
4848,[C:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([O:5][H:15])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](/[C:2](=[C:3](\[O:5][H:15])[H:11])[H:9])([H:6])([H:7])[H:8].[C:4]([H:10])([H:12])([H:13])[H:14],"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O.CH4/c1-2-3-4;/h2-4H,1H3;1H4/b3-2-;",108.97346999999999,16.2432,
4849,[C:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([O:5][H:15])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])=[O:5])([H:9])[H:10])([H:6])([H:7])[H:8].[H:11][H:15],"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C4H8O.H2/c1-3-4(2)5;/h3H2,1-2H3;1H",80.22641999999999,12.41802,
4850,[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[O+:6]=[C-:5][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-3-4(5)6-2/h2H,3H2,1H3",65.71999,53.10795,
4851,[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C-:3]=[O+:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-2-3-6-4-5/h4H,2H2,1H3",60.59154,54.51465,
4852,[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:10])[C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-2-4(6)3-5/h2-3,6H,1H3/b4-2-",72.76663,5.69002,ketoenol
4853,[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[O:4])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:12],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3","InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h2H,1H3;1H2",73.34217,27.16695,
4854,[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3][O:4][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3","InChI=1S/C3H6O.CO/c1-2-3-4;1-2/h4H,2H2,1H3;",60.460319999999996,50.81155,
4855,[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:10])([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3",73.42981999999999,2.60418,
4856,[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][C:3](=[C:2]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-4(3-5)6-2/h3H,1H2,2H3",98.1177,17.4454,ketoenol
4857,[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:6][C:5](=[C:3]=[O:4])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-2-6-4-3-5/h4H,2H2,1H3",101.9735,30.57695,ketoenol
4858,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[H:10])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](/[N:2]=[C:3](/[N:4]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5(2-4)3-6/h2-4H,1H3/b4-2+","InChI=1S/C2H6N2.CO/c1-4-2-3;1-2/h2H,1H3,(H2,3,4);",43.8993,10.2753,
4859,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[H:10])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[N:4][H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:12],"InChI=1S/C3H6N2O/c1-5(2-4)3-6/h2-4H,1H3/b4-2+","InChI=1S/C2H4N2.CH2O/c1-4-2-3;1-2/h3H,1H3;1H2",81.93551,35.46148,
4860,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[H:10])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5(2-4)3-6/h2-4H,1H3/b4-2+","InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)",43.15712,9.285910000000001,
4861,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[H:10])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1]([O:6]/[C:5](=[N:2]/[C:3](=[N:4]/[H:11])[H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5(2-4)3-6/h2-4H,1H3/b4-2+","InChI=1S/C3H6N2O/c1-6-3-5-2-4/h2-4H,1H3/b4-2+,5-3+",76.55022,21.299789999999998,ketoenol
4862,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([O:6][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-3-2-6-4(3)5/h3-5H,2H2,1H3/t3-,4+/m0/s1",48.86902,10.12252,
4863,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:5](=[O:6])[H:14])([H:7])([H:8])[H:9].[O:4]([H:10])[H:13],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O.H2O/c1-4(2)3-5;/h3H,1H2,2H3;1H2",57.610980000000005,4.89689,"1,3_Insertion_ROR"
4864,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:4][H:13])([H:7])([H:8])[H:9].[C:2](=[C:3]([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H4O.CH4O/c1-2-3-4;1-2/h2-3H,1H2;2H,1H3",94.93679,22.85816,"1,3_Insertion_ROR"
4865,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:13])[H:14],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h3H,2H2,1H3;1H2",93.7254,15.98998,
4866,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@@:2]([C:5](=[O:6])[H:14])([H:10])[C@:3]1([O:4][H:13])[H:11].[H:7][H:12],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2.H2/c5-2-3-1-4(3)6;/h2-4,6H,1H2;1H/t3-,4+;/m1./s1",111.7083,32.11672,
4867,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[O:4]([C:5](=[O:6])[H:14])[H:13],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H6.CH2O2/c1-3-2;2-1-3/h3H,1H2,2H3;1H,(H,2,3)",62.12987,-0.8607299999999999,
4868,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]([C:3]([O:4][H:13])([H:11])[H:12])=[O:6])([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3",75.15639,-5.59389,
4869,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([C:3]([O:4][H:13])([H:11])[H:12])=[C:5](\[O:6][H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,5-6H,3H2,1H3/b4-2+",70.50220999999999,7.94452,ketoenol
4870,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:5](/[O:6][H:13])[H:14])[H:10])([H:7])([H:8])[H:9].[C:3](=[O:4])([H:11])[H:12],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2-4H,1H3;1H2/b3-2+;",34.583870000000005,23.40494,Retroene
4871,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@:5]([C:3]([O:4][H:13])([H:11])[H:12])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m0/s1",81.45549,20.27775,
4872,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:6]/[C:5](=[C:2](/[C:3]([O:4][H:13])([H:11])[H:12])[H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h2,4-5H,3H2,1H3/b4-2+",97.34272,18.91506,ketoenol
4873,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([O+:6]=[C-:5][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h2,4-5H,3H2,1H3/t4-/m0/s1",109.33013000000001,58.90925,
4874,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])=[C:4]([O:5][H:11])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h2-3,5-6H,1H3/t3-/m0/s1",85.14893000000001,32.19001,ketoenol
4875,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([O:5][H:13])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1",61.96029,15.4779,ketoenol
4876,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C-:2]([N:6]([C:4]1=[O+:5][C:3]1([H:11])[H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-2-5-4-3-6-4/h2,5H,3H2,1H3",113.3717,91.6538,
4877,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C-:2]1[C:3]([H:11])([H:12])[C+:4]([O:5][H:10])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h5-6H,2H2,1H3",109.26946000000001,77.21689,
4878,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:3]([C:4](=[O:5])[N+:6](=[C-:2][H:10])[H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-4(6)5-2/h2,5H,3H2,1H3",126.51778999999999,45.90164,
4879,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]1=[N:6][O:5]1)([H:11])[H:12])([H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-2-3-4-5-6-4/h2-3H2,1H3",82.94243,69.90948,
4880,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([N+:6]1([H:13])[C-:2]([H:10])[C:3]([H:11])([H:12])[C:4]1=[O:5])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h3,5H,2H2,1H3",128.27085,78.9858,
4881,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[C:4]=[O:5])[H:11])([N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-4(5)2-3-6/h2,4H,5H2,1H3/t4-/m0/s1",80.19849,17.04806,
4882,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:6][C:4](=[O:5])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H5NO.H2/c1-3-2-4(6)5-3;/h2H2,1H3;1H",98.22502,33.98425,
4883,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([N:6]([C:4](=[C+:3][H:11])[O-:5])[H:13])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-5-4(2)6/h2,5H,3H2,1H3",81.40055,75.58948000000001,
4884,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11])[H:6],[H:6][H:7].[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11],"InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2",InChI=1S/C3H4O2.H2/c4-3-1-5-2-3;/h1-2H2;1H,84.16228000000001,14.3936,
4885,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11])[H:6],[O:1]([C:2]([C:3]([O+:4]=[C-:5][H:11])([H:8])[H:9])([H:7])[H:10])[H:6],"InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2","InChI=1S/C3H6O2/c1-5-3-2-4/h1,4H,2-3H2",81.7877,47.2189,
4886,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11])[H:6],[O:1]1[C@@:2]([C:5]([O:4][H:6])([H:10])[H:11])([H:7])[C:3]1([H:8])[H:9],"InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2","InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m1/s1",77.13361,-0.53815,
4887,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11])[H:6],[H:10][H:11].[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[O+:4]=[C-:5]1)[H:6],"InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2","InChI=1S/C3H4O2.H2/c4-3-1-5-2-3;/h3-4H,1H2;1H/t3-;/m0./s1",85.83084000000001,69.81838,
4888,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11])[H:6],[O:1]([C@@:2]([C:3][H:8])([C:5]([O:4][H:9])([H:10])[H:11])[H:7])[H:6],"InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2","InChI=1S/C3H6O2/c1-3(5)2-4/h1,3-5H,2H2/t3-/m0/s1",75.01014,68.85276,
4889,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11])[H:6],[O:1]=[C:2]([C:5]([O:4][C:3]([H:6])([H:8])[H:9])([H:10])[H:11])[H:7],"InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2","InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3",77.93021999999999,-9.092789999999999,
4890,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11])[H:6],[C:2]1([H:7])=[C:5]([H:10])[O:4][C:3]1([H:8])[H:9].[O:1]([H:6])[H:11],"InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2","InChI=1S/C3H4O.H2O/c1-2-4-3-1;/h1-2H,3H2;1H2",76.85515,15.327010000000001,"1,3_Insertion_ROR"
4891,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11])[H:6],[H:6][H:10].[O:1]=[C:2]([C@:5]1([H:11])[C:3]([H:8])([H:9])[O:4]1)[H:7],"InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2","InChI=1S/C3H4O2.H2/c4-1-3-2-5-3;/h1,3H,2H2;1H/t3-;/m1./s1",106.00166000000002,19.276770000000003,
4892,[C:1]([C:2]([C:3]([O:4][C:5]([H:13])([H:14])[H:15])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](/[C:2](=[C:3](/[O:4][C:5]([H:13])([H:14])[H:15])[H:12])[H:10])([H:6])([H:8])[H:11].[H:7][H:9],"InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3","InChI=1S/C4H8O.H2/c1-3-4-5-2;/h3-4H,1-2H3;1H/b4-3+;",137.62265,26.956909999999997,
4893,[C:1]([C:2]([C:3]([O:4][C:5]([H:13])([H:14])[H:15])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:6])([H:7])[H:8].[O:4]([C:5]([H:13])([H:14])[H:15])[H:9],"InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3","InChI=1S/C3H6.CH4O/c1-3-2;1-2/h3H,1H2,2H3;2H,1H3",68.74176,14.24116,"1,3_Insertion_ROR"
4894,[C:1]([C:2]([C:3]([O:4][C:5]([H:13])([H:14])[H:15])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3](=[O+:4][C-:5]([H:13])[H:15])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8].[H:11][H:14],"InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3","InChI=1S/C4H8O.H2/c1-3-4-5-2;/h4H,2-3H2,1H3;1H",83.33901999999999,83.02239,
4895,[C:1]([C:2]([C:3]([O:4][C:5]([H:13])([H:14])[H:15])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C-:3](=[O+:4][C:5]([H:13])([H:14])[H:15])[H:12].[C:1]([C:2]([H:9])([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3","InChI=1S/C2H4O.C2H6/c1-3-2;1-2/h1H,2H3;1-2H3",84.14862,65.26786,
4896,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]([H:10])[H:11])[C:4]([H:12])([H:13])[H:14])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:15])[H:16],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8.CH2O/c1-4(2)3;1-2/h1H2,2-3H3;1H2",87.87083,8.21384,
4897,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:5]([O:6][C:4]([H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-4-5-6-2/h3,5H2,1-2H3",114.92477,82.56741,
4898,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])=[O+:6][C-:5]([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h3-4H2,1-2H3",69.02617,49.51758,
4899,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C-:5]=[O+:6]1)([H:10])[H:11])([H:7])([H:8])[H:9].[H:15][H:16],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H8O.H2/c1-3-5(2)4-6-5;/h3H2,1-2H3;1H/t5-;/m0./s1",89.33331,63.895430000000005,
4900,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:12])[H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:15])[H:16],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3H,1,4H2,2H3;1H2",81.0963,12.24193,
4901,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@:3]([C:4]([H:12])([H:13])[H:14])([O+:6]=[C-:5][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h3,5H,4H2,1-2H3/t5-/m0/s1",77.81345999999999,47.96713,
4902,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C-:3]=[O+:6][C:5]([C:4]([H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h3-4H2,1-2H3",105.7966,40.6405,
4903,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:7])([H:15])[H:16])=[O:6],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1",InChI=1S/C3H6O.C2H4/c1-3(2)4;1-2/h1-2H3;1-2H2,78.30037,-1.72285,
4904,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5][H:16])[O:6][H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O/c1-4-5(2,3)6/h2,6H,4H2,1,3H3/t5-/m0/s1",71.71189,67.21494,
4905,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:5]([C:4]([H:12])([H:13])[H:14])([H:15])[H:16])=[O:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3",76.68281,-25.234389999999998,
4906,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]([O+:6]=[C-:3][C:4]([H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h3,5H2,1-2H3",107.16125,38.006159999999994,
4907,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:6][C:5]([C:3][C:4]([H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h4-5H2,1-2H3",112.17795,78.8982,
4908,[N:1]([C:2](=[O:3])[C:4]([O:5][H:10])([H:8])[H:9])([H:6])[H:7],[N:1](=[C:2](/[O:3][H:7])[C:4]([O:5][H:10])([H:8])[H:9])\[H:6],"InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)","InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)",45.27617,11.63396,ketoenol
4909,[N:1]([C:2](=[O:3])[C:4]([O:5][H:10])([H:8])[H:9])([H:6])[H:7],[N:1]([C-:2]=[O+:3][C:4]([O:5][H:10])([H:8])[H:9])([H:6])[H:7],"InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)","InChI=1S/C2H5NO2/c3-1-5-2-4/h4H,2-3H2",99.38801,44.406079999999996,
4910,[N:1]([C:2](=[O:3])[C:4]([O:5][H:10])([H:8])[H:9])([H:6])[H:7],[N+:1]([C:2]([O-:3])=[C:4]([O:5][H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)","InChI=1S/C2H5NO2/c3-2(5)1-4/h1,4-5H,3H2",82.09794000000001,47.56731,
4911,[N:1]([C:2](=[O:3])[C:4]([O:5][H:10])([H:8])[H:9])([H:6])[H:7],[C:4](=[O:5])([H:8])[H:9].[N:1]([C:2](=[O:3])[H:10])([H:6])[H:7],"InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)","InChI=1S/CH3NO.CH2O/c2-1-3;1-2/h1H,(H2,2,3);1H2",94.89650999999999,21.59198,
4912,[N:1]([C:2](=[O:3])[C:4]([O:5][H:10])([H:8])[H:9])([H:6])[H:7],[N:1](/[C:2]([O:3][H:8])=[C:4](\[O:5][H:10])[H:9])([H:6])[H:7],"InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)","InChI=1S/C2H5NO2/c3-2(5)1-4/h1,4-5H,3H2/b2-1+",65.914,24.93068,ketoenol
4913,[N:1]([C:2](=[O:3])[C:4]([O:5][H:10])([H:8])[H:9])([H:6])[H:7],[H:8][H:10].[N:1]([C:2](=[O:3])[C:4](=[O:5])[H:9])([H:6])[H:7],"InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)","InChI=1S/C2H3NO2.H2/c3-2(5)1-4;/h1H,(H2,3,5);1H",87.17065,21.0738,
4914,[N:1]([C:2](=[O:3])[C:4]([O:5][H:10])([H:8])[H:9])([H:6])[H:7],[H:6][H:8].[N:1](=[C:2]1\[O:3][C@:4]1([O:5][H:10])[H:9])\[H:7],"InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)",InChI=1S/C2H3NO2.H2/c3-1-2(4)5-1;/h2-4H;1H/b3-1-;/t2-;/m1./s1,93.43930999999999,61.980619999999995,
4915,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]=[C:2]([C:3]([H:7])([H:8])[H:9])[C:6]([O+:5]=[C-:4][H:10])([H:11])[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H6O2/c1-4(5)3-6-2/h2H,3H2,1H3",85.54668000000001,61.59924,
4916,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[H:8][H:9].[O:1]=[C:2]1[C:3]([H:7])=[C:4]([H:10])[O:5][C:6]1([H:11])[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H4O2.H2/c5-4-1-2-6-3-4;/h1-2H,3H2;1H",93.93807,18.06766,
4917,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[C:4](=[O:5])([H:9])[H:10].[O:1]1[C:2](=[C:3]([H:7])[H:8])[C:6]1([H:11])[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,InChI=1S/C3H4O.CH2O/c1-3-2-4-3;1-2/h1-2H2;1H2,87.67535,56.648709999999994,
4918,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[C:3](=[C:4]([H:9])[H:10])([H:7])[H:8].[O+:1]#[C-:2].[O:5]=[C:6]([H:11])[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,InChI=1S/C2H4.CH2O.CO/c3*1-2/h1-2H2;1H2;,63.773469999999996,29.95042,
4919,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O-:1][C:2](=[C+:3][H:7])[C:6]([O:5][C:4]([H:8])([H:9])[H:10])([H:11])[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H6O2/c1-4(5)3-6-2/h1H,3H2,2H3",94.19048000000001,93.40824,
4920,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]1[C:2](=[C:6]([H:11])[H:12])[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5]1,InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,InChI=1S/C4H6O2/c1-4-2-3-5-6-4/h1-3H2,115.43236,63.34843000000001,ketoenol
4921,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]=[C:2]([C:6]([O:5][C:4](=[C:3]([H:7])[H:8])[H:10])([H:11])[H:12])[H:9],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H6O2/c1-2-6-4-3-5/h2-3H,1,4H2",79.14656,19.59279,
4922,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[H:7][H:11].[O-:1][C:2]1=[C:3]([H:8])[C:4]([H:9])([H:10])[O+:5]=[C:6]1[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H4O2.H2/c5-4-1-2-6-3-4;/h1,3H,2H2;1H",104.71946,59.79379,
4923,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[C:4]1([H:9])([H:10])[O:5][C:6]1([H:11])[H:12].[O:1]=[C:2]=[C:3]([H:7])[H:8],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,InChI=1S/C2H4O.C2H2O/c1-2-3-1;1-2-3/h1-2H2;1H2,103.5513,42.077490000000004,
4924,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]1[C@:2]2([C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5]2)[C:6]1([H:11])[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,InChI=1S/C4H6O2/c1-2-5-4(1)3-6-4/h1-3H2/t4-/m1/s1,95.22964,35.52306,
4925,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]1[C@@:2]2([H:12])[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C@@:6]12[H:11],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H6O2/c1-2-5-4-3(1)6-4/h3-4H,1-2H2/t3-,4-/m0/s1",64.0016,19.38392,
4926,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[H:9][H:12].[O-:1][C:2]1=[C:6]([H:11])[O+:5]=[C:4]([H:10])[C:3]1([H:7])[H:8],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H4O2.H2/c5-4-1-2-6-3-4;/h2-3H,1H2;1H",74.40493000000001,62.973040000000005,
4927,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]1[C:2](=[C:3]([H:7])[H:8])[C:6]([H:11])([H:12])[O:5][C:4]1([H:9])[H:10],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,InChI=1S/C4H6O2/c1-4-2-5-3-6-4/h1-3H2,80.23245,15.108989999999999,ketoenol
4928,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[H:9][H:10].[O:1]=[C:2]1[C:3]([H:7])([H:8])[C-:4]=[O+:5][C:6]1([H:11])[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H4O2.H2/c5-4-1-2-6-3-4;/h1,3H2;1H",85.62823,68.1516,
4929,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]([C:2]1=[C:6]([H:11])[O:5][C:4]([H:9])([H:10])[C:3]1([H:7])[H:8])[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h3,5H,1-2H2",76.45452,13.669279999999999,ketoenol
4930,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]([C:2]1=[C:3]([H:7])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:8],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1,5H,2-3H2",74.41629,11.81604,ketoenol
4931,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]1[C@:2]2([H:7])[C@@:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]2([H:11])[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H2/t3-,4+",89.34398,25.555239999999998,
4932,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]=[C:2]([C:3](=[C:4]([H:9])[H:10])[H:7])[C:6]([O:5][H:8])([H:11])[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H6O2/c1-2-4(6)3-5/h2,5H,1,3H2",70.82113000000001,10.79005,
4933,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]=[C:2]=[C:3]([C:4]([H:8])([H:9])[H:10])[H:7].[O:5]=[C:6]([H:11])[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h2H,1H3;1H2",100.37799,26.17516,
4934,[C:1](#[C:2][C:3]#[N:4])[C:5]#[N:6],[C:1]([C:2]#[C+:3])#[C:5][N:6]=[N-:4],InChI=1S/C4N2/c5-3-1-2-4-6,InChI=1S/C4N2/c1-2-3-4-6-5,159.90344,103.07351,
4935,[C:1](#[C:2][C:3]#[N:4])[C:5]#[N:6],[C:1]1([C:5]#[N:6])=[N:4][C:3]#[C:2]1,InChI=1S/C4N2/c5-3-1-2-4-6,InChI=1S/C4N2/c5-3-4-1-2-6-4,106.31686,105.10072,
4936,[C:1](#[C:2][C:3]#[N:4])[C:5]#[N:6],[C:1](#[C-:2])[C:5]#[N+:6][C:3]#[N:4],InChI=1S/C4N2/c5-3-1-2-4-6,InChI=1S/C4N2/c1-2-3-6-4-5,138.20706,63.815059999999995,
4937,[C:1](#[C:2][C:3]#[N:4])[C:5]#[N:6],[C:1](=[C:2])([C:3]#[N:4])[C:5]#[N:6],InChI=1S/C4N2/c5-3-1-2-4-6,InChI=1S/C4N2/c1-4(2-5)3-6,61.12189,61.61515,
4938,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[O:1](/[C:2](=[C:3](\[C:4]([O:5][H:7])([H:10])[H:11])[H:9])[H:8])[H:6],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H6O2/c4-2-1-3-5/h1-2,4-5H,3H2/b2-1-",66.43366999999999,-15.377870000000001,
4939,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[O:1]([C:2]([C:3]([O+:5]=[C-:4][H:11])([H:9])[H:10])([H:7])[H:8])[H:6],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H6O2/c1-5-3-2-4/h1,4H,2-3H2",77.92564,47.79672,
4940,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[O:1]([C:2]([O:5][C:4]([C:3][H:9])([H:10])[H:11])([H:7])[H:8])[H:6],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H6O2/c1-2-5-3-4/h1,4H,2-3H2",105.9009,75.55466,
4941,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[O:1]([C:2]([C:3][C:4]([O:5][H:9])([H:10])[H:11])([H:7])[H:8])[H:6],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H6O2/c4-2-1-3-5/h4-5H,2-3H2",70.20323,64.20879000000001,
4942,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[C:2](=[C:3]1[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8].[O:1]([H:6])[H:9],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1",InChI=1S/C3H4O.H2O/c1-3-2-4-3;/h1-2H2;1H2,81.07122,16.50329,"1,3_Insertion_ROR"
4943,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[O:1]([C:2]([C:3](=[O+:5][C-:4]([H:10])[H:11])[H:9])([H:7])[H:8])[H:6],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H6O2/c1-5-3-2-4/h3-4H,1-2H2",68.34723000000001,53.85475,
4944,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[C:3]1([H:6])([H:9])[C:4]([H:10])([H:11])[O:5]1.[O:1]=[C:2]([H:7])[H:8],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1",InChI=1S/C2H4O.CH2O/c1-2-3-1;1-2/h1-2H2;1H2,94.11161,20.68081,
4945,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[O:1]([C:2]([C@@:3]([C:4][H:10])([O:5][H:11])[H:9])([H:7])[H:8])[H:6],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H6O2/c1-3(5)2-4/h1,3-5H,2H2/t3-/m1/s1",73.48669,70.11844,
4946,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[H:6][H:9].[O:1]=[C:2]([C@:3]1([H:8])[C:4]([H:10])([H:11])[O:5]1)[H:7],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H4O2.H2/c4-1-3-2-5-3;/h1,3H,2H2;1H/t3-;/m1./s1",95.81853000000001,22.30405,
4947,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)[H:8].[O:1]([H:6])[H:7],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H4O.H2O/c1-3-2-4-3;/h1,3H,2H2;1H2/t3-;/m0./s1",83.08524,85.98235,
4948,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[O:1]1[C:2]([H:7])([H:8])[C:3]([O:5][H:6])([H:9])[C:4]1([H:10])[H:11],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2",77.74450999999999,0.5571699999999999,
4949,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[O:1]([C:2]([C-:3]=[O+:5][C:4]([H:9])([H:10])[H:11])([H:7])[H:8])[H:6],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H6O2/c1-5-3-2-4/h4H,2H2,1H3",74.00876,37.16686,
4950,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C@:5]1([C:6]([H:11])([H:13])[H:14])[H:12],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m1/s1",107.8199,17.00564,
4951,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[O:1]([C:2]1=[C:6]([H:13])[C:5]([H:11])([H:12])[C:4]([H:9])([H:10])[C:3]1([H:7])[H:8])[H:14],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h3,6H,1-2,4H2",72.06609,11.97237,ketoenol
4952,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[O-:1][C:2]([C:3]([C:4]([C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:7])[H:8])=[C+:6][H:14],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C5H8O/c1-3-4-5(2)6/h2H,3-4H2,1H3",90.78375,89.37623,
4953,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[O:1]1[C:2](=[C:6]([H:13])[H:14])[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,InChI=1S/C5H8O/c1-5-3-2-4-6-5/h1-4H2,111.92233999999999,18.654329999999998,ketoenol
4954,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[O:1]1[C@:2]2([H:7])[C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+",88.62889,24.9715,
4955,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[C:3]1([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12].[O:1]=[C:2]=[C:6]([H:13])[H:14],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,InChI=1S/C3H6.C2H2O/c1-2-3-1;1-2-3/h1-3H2;1H2,104.70166,44.952490000000004,
4956,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[C:3](=[C:4]([H:9])[H:10])([H:7])[H:8].[C:5](=[C:6]([H:13])[H:14])([H:11])[H:12].[O+:1]#[C-:2],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,InChI=1S/2C2H4.CO/c3*1-2/h2*1-2H2;,86.38015,46.49288,
4957,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[O:1]=[C:2]([C:3]([C:4]([C:5](=[C:6]([H:13])[H:14])[H:11])([H:9])[H:10])([H:7])[H:8])[H:12],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2",91.82084,23.692510000000002,
4958,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[H:10][H:11].[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:12])[C:6]1([H:13])[H:14],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C5H6O.H2/c6-5-3-1-2-4-5;/h1-2H,3-4H2;1H",114.96498999999999,28.314770000000003,
4959,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[O:1]1[C:2](=[C:6]([H:13])[H:14])[C:3]([H:7])([H:8])[C@@:4]1([C:5]([H:9])([H:11])[H:12])[H:10],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C5H8O/c1-4-3-5(2)6-4/h5H,1,3H2,2H3/t5-/m0/s1",113.81101000000001,31.62517,
4960,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[C:3](=[C:4]([C:5]([H:9])([H:11])[H:12])[H:10])([H:7])[H:8].[O:1]=[C:2]=[C:6]([H:13])[H:14],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C3H6.C2H2O/c1-3-2;1-2-3/h3H,1H2,2H3;1H2",113.81517,38.04603,
4961,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[O:1]([C@:2]12[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C@@:5]1([H:11])[C:6]2([H:13])[H:14])[H:12],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m0/s1",102.94672,42.93289,
4962,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[N:6],[O:1]=[C:2]([C:3](=[C:4])[H:7])[C:5]#[N:6],InChI=1S/C4HNO/c1-2-4(6)3-5/h1H,InChI=1S/C4HNO/c1-2-4(6)3-5/h2H,44.12061,46.64001,Singlet_Carbene_Intra_Disproportionation
4963,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[N:6],[O:1]=[C:2]=[C:5]=[N:6][C:3]#[C:4][H:7],InChI=1S/C4HNO/c1-2-4(6)3-5/h1H,InChI=1S/C4HNO/c1-2-5-3-4-6/h1H,112.23476000000001,46.22735,
4964,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[N:6],[O:1]=[C:2]([C:3]#[C:4][H:7])[N+:6]#[C-:5],InChI=1S/C4HNO/c1-2-4(6)3-5/h1H,InChI=1S/C4HNO/c1-3-4(6)5-2/h1H,44.40274,13.523370000000002,
4965,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[N:6],[O+:1](=[C-:2][C:3]#[C:4][H:7])[C:5]#[N:6],InChI=1S/C4HNO/c1-2-4(6)3-5/h1H,InChI=1S/C4HNO/c1-2-3-6-4-5/h1H,96.40456,68.43784000000001,
4966,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5](=[O:6])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[O:4][C@@:5]1([O:6][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3","InChI=1S/C4H8O2/c1-4(2)3(5)6-4/h3,5H,1-2H3/t3-/m0/s1",55.73161999999999,15.37677,
4967,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5](=[O:6])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:4])[C@:5]([C:3]([H:10])([H:11])[H:12])([O:6][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3","InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m0/s1",43.9293,-4.43622,
4968,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5](=[O:6])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[O:4][H:13])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:14],"InChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3","InChI=1S/C3H6O.CH2O/c1-3(2)4;1-2/h4H,1H2,2H3;1H2",73.01389,26.44037,
4969,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5](=[O:6])[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:10])([H:11])[H:12])[C:5](=[O:6])[H:14])([H:8])[H:9].[O:4]([H:7])[H:13],"InChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3","InChI=1S/C4H6O.H2O/c1-4(2)3-5;/h3H,1H2,2H3;1H2",68.33704,15.506160000000001,"1,3_Insertion_ROR"
4970,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[C:2](=[C:3]1[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1",InChI=1S/C4H6O.H2O/c1-4-2-3-5-4;/h1-3H2;1H2,75.53456,6.6763,"1,3_Insertion_ROR"
4971,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C:2]([O:6][C:5]([C:4]([C:3][H:10])([H:11])[H:12])([H:13])[H:14])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-3-6-4-5/h1,5H,2-4H2",113.76377,81.87892,
4972,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C:2]([C:4]([C:5]([O+:6]=[C-:3][H:10])([H:13])[H:14])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h1,5H,2-4H2",123.45633000000001,51.26919,
4973,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[H:9][H:11].[O:1]([C@:2]1([H:8])[C@@:3]2([H:10])[C@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H6O2.H2/c5-3-2-1-6-4(2)3;/h2-5H,1H2;1H/t2-,3+,4-;/m1./s1",121.74145,43.6649,
4974,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[C:5](=[O:6])([H:13])[H:14].[O:1]([C:2]([C:3](=[C:4]([H:11])[H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2,4H,1,3H2;1H2",59.98211,12.20692,2+2_cycloaddition
4975,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C:2]([C:3][C:4]([C:5]([O:6][H:10])([H:13])[H:14])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O2/c5-3-1-2-4-6/h5-6H,1,3-4H2",73.86264,61.76116999999999,
4976,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C:2](/[C:3](=[C:4](/[C:5]([O:6][H:12])([H:13])[H:14])[H:11])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1+",87.34071,-4.9248,
4977,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C:4]([C:5]([O:6][C:3](=[C:2]([H:8])[H:9])[H:10])([H:13])[H:14])([H:11])[H:12])[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2",100.29672,-0.44973,
4978,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]([C:4]([H:11])([H:12])[H:13])([O+:6]=[C-:5][H:14])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h2,4-5H,3H2,1H3/t4-/m1/s1",84.34026999999999,47.18289,
4979,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C:2]([C:4]([C:3](=[O+:6][C-:5]([H:13])[H:14])[H:10])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h4-5H,1-3H2",117.03133000000001,55.08042,
4980,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4]([C:5]([O:6][H:7])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2",57.10097,-19.15475,
4981,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C@:3]1([C:4]([C:5]([O:6][H:7])([H:13])[H:14])([H:11])[H:12])[H:10],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m1/s1",62.25914,4.07075,
4982,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C-:4]=[N+:5]=[C:6]1[H:13].[H:11][H:12],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H5NO.H2/c1-2-5-4-6-3-1;/h2H,1,3H2;1H",110.12575,76.1578,
4983,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O+:3]=[C-:4][N:5]([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h5H,1-3H2",71.65431,30.086409999999997,
4984,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]1([H:7])([H:8])[C-:2]=[O+:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13].[H:9][H:10],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H5NO.H2/c1-2-5-4-6-3-1;/h4H,1-2H2;1H",91.6226,78.67019,
4985,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O+:3]=[C:4]([H:11])[N:5]([H:12])[C-:6]1[H:13],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h2,4-5H,1,3H2",75.64039,47.27091,
4986,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]([C:2]([O:3][C:4](=[N+:5]=[C-:6][H:12])[H:11])([H:9])[H:10])([H:7])([H:8])[H:13],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-3-6-4-5-2/h2,4H,3H2,1H3",84.25573,55.34594,
4987,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]1([H:7])([H:8])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13].[C:2]([H:9])[H:10],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C3H5NO.CH2/c1-2-5-3-4-1;/h3H,1-2H2;1H2",129.64511000000002,112.34093,
4988,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N+:5]=[C-:6]1.[H:12][H:13],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H5NO.H2/c1-2-5-4-6-3-1;/h4H,1,3H2;1H",93.01324,82.62496999999999,
4989,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]([C:6](/[N:5]=[C:4](\[O+:3]=[C-:2][H:9])[H:11])([H:12])[H:13])([H:7])([H:8])[H:10],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-3-5-4-6-2/h2,4H,3H2,1H3/b5-4-",91.61021,80.98338000000001,
4990,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]([C:2]([O:3][H:11])([H:9])[H:10])([C:6]([N+:5]#[C-:4])([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-5-3-2-4-6/h6H,2-4H2",72.02403000000001,18.85345,
4991,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]([C:2]([O:3][H:13])([H:9])[H:10])([C:6](=[N+:5]=[C-:4][H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-5-3-2-4-6/h1,3,6H,2,4H2",86.94295,50.44337,
4992,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]([C:2](=[O:3])[H:10])([C:6]([N:5]=[C:4]([H:9])[H:11])([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-5-3-2-4-6/h4H,1-3H2",82.97024,14.796389999999999,
4993,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]1([H:7])([H:8])[C-:2]([H:9])[O+:3]=[C:4]([H:11])[N:5]([H:10])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h3-5H,1-2H2",72.74083,62.96465,
4994,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[N:5]([C:4](=[O:3])[H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2",78.41135,5.37437,ketoenol
4995,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1](=[C:2]([H:9])[H:10])([C:6]([N:5]([C:4](=[O:3])[H:11])[H:7])([H:12])[H:13])[H:8],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6)",76.00771999999999,-1.7256900000000002,
4996,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[O:3]=[C:4]([N:5]=[C:6]([H:12])[H:13])[H:11],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C2H3NO.C2H4/c1-3-2-4;1-2/h2H,1H2;1-2H2",52.737719999999996,30.05288,
4997,[C:1]1([H:6])([H:7])[C:2]2([H:8])[C:3]([H:9])([H:10])[C:4]1([H:11])[C:5]2([H:12])[H:13],[C:1]1([H:6])([H:7])[C:2][C:5]([H:12])([H:13])[C:4]1([C:3]([H:8])([H:9])[H:10])[H:11],"InChI=1S/C5H8/c1-4-2-5(1)3-4/h4-5H,1-3H2","InChI=1S/C5H8/c1-5-3-2-4-5/h5H,3-4H2,1H3",71.72822,47.89141,
4998,[C:1]1([H:6])([H:7])[C:2]2([H:8])[C:3]([H:9])([H:10])[C:4]1([H:11])[C:5]2([H:12])[H:13],[C:1](=[C:4]([C:3]([C:2](=[C:5]([H:12])[H:13])[H:8])([H:9])[H:10])[H:11])([H:6])[H:7],"InChI=1S/C5H8/c1-4-2-5(1)3-4/h4-5H,1-3H2","InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2",77.48748,-22.131520000000002,
4999,[C:1]([C:2]12[C:3]([H:10])([H:11])[N:4]([C:5]1([H:12])[H:13])[C:6]2([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C-:2]1[C:3]([H:10])([H:11])[N+:4](=[C:6]([H:14])[H:15])[C:5]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5-2-6(3-5)4-5/h2-4H2,1H3","InChI=1S/C5H9N/c1-5-3-6(2)4-5/h2-4H2,1H3",47.57522,45.3054,
5000,[C:1]([C:2]12[C:3]([H:10])([H:11])[N:4]([C:5]1([H:12])[H:13])[C:6]2([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]12[C:3]([H:10])([H:11])[N+:4]([H:14])([C:5]1([H:12])[H:13])[C-:6]2[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5-2-6(3-5)4-5/h2-4H2,1H3","InChI=1S/C5H9N/c1-5-2-6(3-5)4-5/h2,6H,3-4H2,1H3",75.98775,56.65865,
5001,[C:1]([C:2]12[C:3]([H:10])([H:11])[N:4]([C:5]1([H:12])[H:13])[C:6]2([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]([N:4]=[C:3]([H:10])[H:11])([H:12])[H:13])=[C:6]([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5-2-6(3-5)4-5/h2-4H2,1H3","InChI=1S/C5H9N/c1-5(2)4-6-3/h1,3-4H2,2H3",63.70221,-37.42516,
5002,[C:1]([C:2]12[C:3]([H:10])([H:11])[N:4]([C:5]1([H:12])[H:13])[C:6]2([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2][C:5]([N:4]1[C:3]([H:10])([H:11])[C:6]1([H:14])[H:15])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5-2-6(3-5)4-5/h2-4H2,1H3","InChI=1S/C5H9N/c1-2-3-6-4-5-6/h3-5H2,1H3",115.84754,46.50328,
5003,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C-:3]([H:9])[N+:4]2([H:10])[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h2-6H,1H2/t3-,4-/m0/s1",84.89969,58.336290000000005,
5004,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1](/[C:2](=[C:6](/[C:5]([N:4]=[C:3]([H:9])[H:10])([H:11])[H:12])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-3-2-4-6/h2,4,6H,1,3H2/b4-2+",44.476240000000004,-19.91095,
5005,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N+:4]2([H:13])[C:5]([H:11])([H:12])[C-:6]12)[H:7],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h4-6H,1-2H2/t4-/m0/s1",60.77131,47.18606,
5006,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C:2][C:3]([N:4]1[C:5]([H:11])([H:12])[C:6]1([H:8])[H:13])([H:9])[H:10])[H:7],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h6H,1-3H2",78.06857,43.49835,
5007,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]=[C:2]([C@@:6]1([H:13])[N:4]([C:3]([H:7])([H:9])[H:10])[C:5]1([H:11])[H:12])[H:8],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1",74.68706999999999,-12.38825,
5008,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N+:4]2([H:12])[C-:5]([H:11])[C@@:6]12[H:13])[H:7],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h1,3-6H,2H2/t3-,4-/m0/s1",63.633959999999995,47.65461,
5009,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:11])([H:12])[C:6]1([H:7])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2",70.40371999999999,-11.9479,
5010,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[C:2]1([H:8])=[C:3]([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13].[O:1]([H:7])[H:9],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H5N.H2O/c1-2-5-3-4(1)5;/h1-2,4H,3H2;1H2/t4-,5?;/m1./s1",79.64621,23.51856,"1,3_Insertion_ROR"
5011,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C+:2]([C:3]([H:8])([H:9])[H:10])[C@@:6]1([H:13])[N-:4][C:5]1([H:11])[H:12])[H:7],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4,6H,2H2,1H3/t4-/m0/s1",95.29422,28.34324,
5012,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C:2][C@@:6]1([H:13])[N:4]([C:3]([H:8])([H:9])[H:10])[C:5]1([H:11])[H:12])[H:7],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h4,6H,2H2,1H3/t4-,5?/m0/s1",69.84393,38.53801,
5013,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]1[C@@:2]2([H:8])[C:3]([H:9])([H:10])[N:4]([C:5]([H:7])([H:11])[H:12])[C@@:6]12[H:13],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-2-3-4(5)6-3/h3-4H,2H2,1H3/t3-,4-/m0/s1",76.99206,6.10775,
5014,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H5NO.H2/c6-4-2-5-1-3(4)5;/h3H,1-2H2;1H/t3-,5?;/m0./s1",84.40741,12.67344,
5015,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N+:4]([C-:5]([H:11])[H:12])=[C:6]1[H:13])[H:7],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2,4,6H,1,3H2/t4-/m1/s1",70.05277,16.17191,
5016,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([H:13])([H:14])([H:15])[H:16],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O2.CH4/c1-5-3-2-4;/h2H,3H2,1H3;1H4",87.92577,12.47515,
5017,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:15])([H:7])([H:8])[H:9].[C:3]1([H:10])([H:11])[C:4]([O:6][H:16])([H:12])[C:5]1([H:13])[H:14],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O.CH4O/c4-3-1-2-3;1-2/h3-4H,1-2H2;2H,1H3",99.95625,24.7883,
5018,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:16])([H:7])([H:8])[H:9].[C:3]([C:4]([C:5]([H:13])([H:14])[H:15])=[O:6])([H:10])([H:11])[H:12],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O.CH4O/c1-3(2)4;1-2/h1-2H3;2H,1H3",82.4884,-1.9444099999999997,
5019,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:6][C@@:4]([C:3]([O:2][H:16])([H:10])[H:11])([C:5]([H:13])([H:14])[H:15])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m1/s1",89.29836999999999,3.1076,
5020,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])=[O:6])([H:11])[H:12])([H:7])([H:8])[H:9].[H:10][H:16],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C4H8O2.H2/c1-4(5)3-6-2;/h3H2,1-2H3;1H",89.01565,18.96268,
5021,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4](=[C:5]([H:13])[H:14])[O:6][H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:15],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C4H8O2.H2/c1-4(5)3-6-2;/h5H,1,3H2,2H3;1H",105.81476,27.179190000000002,
5022,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:7])[H:8].[C:3](=[C:4]([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:10])[H:11].[H:9][H:12],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O.H2/c1-3(2)4;1-2;/h4H,1H2,2H3;1H2;1H",78.69711,31.446309999999997,
5023,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:16])([H:7])([H:8])[H:9].[C:3]1([H:10])([H:11])[C@:4]([C:5]([H:13])([H:14])[H:15])([H:12])[O:6]1,"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O.CH4O/c1-3-2-4-3;1-2/h3H,2H2,1H3;2H,1H3/t3-;/m1./s1",75.47636999999999,27.089240000000004,
5024,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4][H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([O:6][H:16])([H:13])([H:14])[H:15],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O.CH4O/c1-3-4-2;1-2/h1H,3H2,2H3;2H,1H3",128.36876999999998,29.295440000000003,
5025,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:4](/[C:5]([H:13])([H:14])[H:15])[H:12])[H:11])([H:7])([H:8])[H:9].[O:6]([H:10])[H:16],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C4H8O.H2O/c1-3-4-5-2;/h3-4H,1-2H3;1H2/b4-3+;",70.69265,11.84239,"1,3_Insertion_ROR"
5026,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:16])([H:7])([H:8])[H:9].[C:3]([C:4](=[O:6])[H:12])([C:5]([H:13])([H:14])[H:15])([H:10])[H:11],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O.CH4O/c1-2-3-4;1-2/h3H,2H2,1H3;2H,1H3",77.78116999999999,6.26181,
5027,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4][O:6][H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O2.CH4/c1-5-3-2-4;/h4H,3H2,1H3;1H4",88.61859,64.1687,
5028,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([H:10])([H:11])[H:15])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:13])[H:14])([O:6][H:16])[H:12],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C2H6O.C2H4O/c1-3-2;1-2-3/h1-2H3;2-3H,1H2",84.74636,24.956020000000002,
5029,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([C:5]([H:13])([H:14])[H:15])[H:12])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:9].[C:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([H:13])([H:14])[H:15])[H:12],"InChI=1S/C5H10/c1-4-3-5(4)2/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C4H6.CH4/c1-4-2-3-4;/h4H,2H2,1H3;1H4/t4-;/m1./s1",98.82256,89.09253000000001,
5030,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([C:5]([H:13])([H:14])[H:15])[H:12])([H:6])([H:7])[H:8],[C:1]([C:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([H:9])[H:12])([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C5H10/c1-4-3-5(4)2/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10/c1-3-5-4-2/h3,5H2,1-2H3",68.36981,65.60506,
5031,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([C:5]([H:13])([H:14])[H:15])[H:12])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4][C:5]([H:13])([H:14])[H:15])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C5H10/c1-4-3-5(4)2/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10/c1-4-5(2)3/h5H,1-3H3",69.24083,65.68911999999999,
5032,[O:1]=[C:2]([N:3]([C:4](=[O:5])[H:8])[H:7])[H:6],[O:1](/[C:2](=[N:3]/[C:4](=[O:5])[H:8])[H:6])[H:7],"InChI=1S/C2H3NO2/c4-1-3-2-5/h1-2H,(H,3,4,5)","InChI=1S/C2H3NO2/c4-1-3-2-5/h1-2H,(H,3,4,5)",47.03969,14.805570000000001,ketoenol
5033,[O:1]=[C:2]([N:3]([C:4](=[O:5])[H:8])[H:7])[H:6],[O:1]=[C:2]([N+:3](=[C-:4][O:5][H:8])[H:7])[H:6],"InChI=1S/C2H3NO2/c4-1-3-2-5/h1-2H,(H,3,4,5)","InChI=1S/C2H3NO2/c4-1-3-2-5/h1,3,5H",73.63354,36.05173,
5034,[O:1]=[C:2]([N:3]([C:4](=[O:5])[H:8])[H:7])[H:6],[C:4](=[O:5])([H:6])[H:8].[O:1]=[C:2]=[N:3][H:7],"InChI=1S/C2H3NO2/c4-1-3-2-5/h1-2H,(H,3,4,5)",InChI=1S/CHNO.CH2O/c2-1-3;1-2/h2H;1H2,71.70506999999999,20.94925,
5035,[O:1]=[C:2]([N:3]([C:4](=[O:5])[H:8])[H:7])[H:6],[N:3](=[C:4](/[O:5][H:6])[H:8])\[H:7].[O+:1]#[C-:2],"InChI=1S/C2H3NO2/c4-1-3-2-5/h1-2H,(H,3,4,5)","InChI=1S/CH3NO.CO/c2-1-3;1-2/h1H,(H2,2,3);",45.93338,15.03987,
5036,[O:1]=[C:2]([N:3]([C:4](=[O:5])[H:8])[H:7])[H:6],[O:1](/[C:2](=[N:3]/[H:7])[H:6])[C:4](=[O:5])[H:8],"InChI=1S/C2H3NO2/c4-1-3-2-5/h1-2H,(H,3,4,5)",InChI=1S/C2H3NO2/c3-1-5-2-4/h1-3H/b3-1+,43.332,16.999370000000003,ketoenol
5037,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:14])=[C:6]2[H:15].[H:13][H:16],InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2,"InChI=1S/C6H8.H2/c1-2-6(3-1)4-5-6;/h1-2H,3-5H2;1H",125.99256000000001,33.69117,
5038,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1](=[C:2]([H:9])[H:10])([C:3]1=[C:4]([H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:8].[H:7][H:12],InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2,"InChI=1S/C6H8.H2/c1-2-6-4-3-5-6;/h2,4H,1,3,5H2;1H",109.88453,24.08563,
5039,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]([C:2]([C:3]12[C:4]([H:11])([H:12])[C:5]1([H:13])[C:6]2([H:15])[H:16])([H:9])[H:10])([H:7])([H:8])[H:14],InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2,"InChI=1S/C6H10/c1-2-6-3-5(6)4-6/h5H,2-4H2,1H3",92.8163,10.24725,
5040,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]([C:5]1([H:13])[C:4]([H:11])([H:12])[C:3](=[C:2]([H:9])[H:10])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:14],InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2,"InChI=1S/C6H10/c1-5-3-6(2)4-5/h6H,1,3-4H2,2H3",102.47071,-7.83052,
5041,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1=[C:4]([H:11])[H:12].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2,InChI=1S/C4H6.C2H4/c1-4-2-3-4;1-2/h1-3H2;1-2H2,104.16158,28.32756,
5042,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2,InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-5H2,86.72147,43.360479999999995,
5043,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]([C:5]([H:13])([H:14])[H:15])([H:11])[H:12])[C:6][H:16],InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2,"InChI=1S/C6H10/c1-3-6(2)4-5-6/h2H,3-5H2,1H3",83.16601999999999,63.84788,
5044,[C:1]([c:2]1[n:3][c:4]([H:10])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]=[C:4]([H:10])[N:5]([H:9])[O:6]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c1-3-4-2-5-6-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3-4-2-5-6-3/h2H,1H2,(H,4,5)",104.05159,33.97585,
5045,[C:1]([c:2]1[n:3][c:4]([H:10])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]1[C:4]([H:10])=[N:5]1)=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-4-2-5-6-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3(6)5-2-4-5/h2H,1H3",68.55628,50.30121,ketoenol
5046,[C:1]([c:2]1[n:3][c:4]([H:10])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]=[C:4]=[N:5][H:10])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-4-2-5-6-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3(6)5-2-4/h4H,1H3",52.77228,-16.23001,
5047,[C:1]([c:2]1[n:3][c:4]([H:10])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]([H:9])[C:4]([H:10])=[N:5][O:6]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c1-3-4-2-5-6-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3-4-2-5-6-3/h2H,1H2,(H,4,5)",81.23923,25.78289,
5048,[N:1]([C:2]([C:3]#[N:4])([H:7])[H:8])([H:5])[H:6],[N:1]([C:2]([N+:4]#[C-:3])([H:7])[H:8])([H:5])[H:6],"InChI=1S/C2H4N2/c3-1-2-4/h1,3H2",InChI=1S/C2H4N2/c1-4-2-3/h2-3H2,49.657059999999994,19.42846,
5049,[N:1]([C:2]([C:3]#[N:4])([H:7])[H:8])([H:5])[H:6],[C:3]=[N:4][H:5].[N:1](=[C:2]([H:7])[H:8])[H:6],"InChI=1S/C2H4N2/c3-1-2-4/h1,3H2","InChI=1S/CH3N.CHN/c2*1-2/h2H,1H2;2H",59.528980000000004,40.63133,
5050,[N:1]([C:2]([C:3]#[N:4])([H:7])[H:8])([H:5])[H:6],[N+:1]([C-:2]([C:3]#[N:4])[H:8])([H:5])([H:6])[H:7],"InChI=1S/C2H4N2/c3-1-2-4/h1,3H2","InChI=1S/C2H4N2/c3-1-2-4/h1H,3H3",70.29393,48.89287,
5051,[C:1]([O:2][C:3]([C:4]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[H:9])([H:6])([H:7])[H:8],[C:1]([O:2][H:15])([H:6])([H:7])[H:8].[C:3]([C:4]([H:10])([H:11])[H:12])(=[C:5]([H:13])[H:14])[H:9],"InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3","InChI=1S/C3H6.CH4O/c1-3-2;1-2/h3H,1H2,2H3;2H,1H3",65.18965,16.80538,"1,3_Insertion_ROR"
5052,[C:1]([O:2][C:3]([C:4]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[H:9])([H:6])([H:7])[H:8],[C:1]([O:2][C:4]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8].[C:3]([C:5]([H:13])([H:14])[H:15])[H:9],"InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3","InChI=1S/C2H6O.C2H4/c1-3-2;1-2/h1-2H3;1H,2H3",125.54546,104.5674,
5053,[C:1]([O:2][C:3]([C:4]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[H:9])([H:6])([H:7])[H:8],[C-:1]([O+:2]=[C:3]([C:5]([H:13])([H:14])[H:15])[H:9])([H:7])[H:8].[C:4]([H:6])([H:10])([H:11])[H:12],"InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3","InChI=1S/C3H6O.CH4/c1-3-4-2;/h3H,2H2,1H3;1H4",90.33324,72.63959,
5054,[C:1]([O:2][C:3]([C:4]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[H:9])([H:6])([H:7])[H:8],[C:1]([O+:2]=[C-:3][C:4]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8].[C:5]([H:9])([H:13])([H:14])[H:15],"InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3",InChI=1S/C3H6O.CH4/c1-3-4-2;/h1-2H3;1H4,82.07812,55.992490000000004,
5055,[C:1]([O:2][C:3]([C:4]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[H:9])([H:6])([H:7])[H:8],[C-:1]([O+:2]=[C:3]([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[H:15])([H:7])[H:8].[H:6][H:9],"InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3","InChI=1S/C4H8O.H2/c1-4(2)5-3;/h3H2,1-2H3;1H",81.04247,75.90567,
5056,[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C@@:5]([O:4][H:12])([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-3-4-5(2)6/h5-6H,3H2,1-2H3/t5-/m0/s1",72.61453,68.22119,
5057,[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:5]([C:3](=[O:4])[H:12])([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1",63.71801,-18.36585,
5058,[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O+:4][C-:5]([C:6]([H:14])([H:15])[H:16])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h4-5H,3H2,1-2H3",70.055,50.09898,
5059,[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[O+:4]=[C-:5]1)([H:10])[H:11])([H:7])([H:8])[H:9].[C:6]([H:13])([H:14])([H:15])[H:16],"InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H6O.CH4/c1-2-4-3-5-4;/h4H,2H2,1H3;1H4/t4-;/m1./s1",92.84016,55.16765,
5060,[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5](=[C:6]([H:15])[H:16])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3/t5-/m0/s1",61.160059999999994,-4.89692,
5061,[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5][C:6]([H:14])([H:15])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-3-5(6)4-2/h5-6H,3H2,1-2H3/t5-/m1/s1",71.8538,66.87899,
5062,[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:5]([C@@:3]1([H:12])[C:2]([H:10])([H:11])[O:4]1)([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1",105.8861,3.24852,
5063,[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C@@:5]([O:4][H:10])([C:6]([H:14])([H:15])[H:16])[H:13])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-3-4-5(2)6/h3-6H,1-2H3/b4-3+/t5-/m0/s1",60.881919999999994,-8.803,
5064,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([N+:6]#[C-:5])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2/c1-3-4(5)6-2/h4H,3,5H2,1H3/t4-/m0/s1",48.481,18.2798,
5065,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2]1([H:11])[C@@:3]([C:5]#[N:6])([H:12])[N+:4]1([H:13])[H:14].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C3H4N2.CH4/c4-1-3-2-5-3;/h2-3H,5H2;1H4/t3-;/m0./s1",100.07231,84.8545,
5066,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([N:4]([H:13])[H:14])=[C:5]=[N:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2/c1-2-4(6)3-5/h5H,2,6H2,1H3",86.89056,25.45134,
5067,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[C:5]([N:4]([H:13])[H:14])=[N:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2/c1-2-3-4(5)6-3/h3H,2H2,1H3,(H2,5,6)/t3-/m0/s1",94.54644,26.963829999999998,
5068,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:9])([H:10])[H:11])([N:6]=[C:5]=[C:3]([N:4]([H:13])[H:14])[H:12])([H:7])[H:8],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2/c1-2-6-4-3-5/h3H,2,5H2,1H3",101.80426999999999,32.42502,
5069,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:10])([H:11])[C@:3]([N:4]([H:13])[H:14])([H:12])[C:5][N:6]1[H:9],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2/c5-4-1-2-6-3-4/h4,6H,1-2,5H2/t4-/m1/s1",94.86245,42.7386,
5070,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C@:3]([N:4]([H:13])[H:14])([H:12])/[C:5]1=[N:6]/[H:7],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2/c5-3-1-2-4(3)6/h3,6H,1-2,5H2/b6-4+/t3-/m1/s1",98.54392,19.25485,
5071,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[N:4]([H:13])[H:14])[C:5]#[N:6])[H:11])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2.H2/c1-2-4(6)3-5;/h2H,6H2,1H3;1H/b4-2+;",102.19311,23.66722,
5072,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C+:3]([N:4]([H:13])[H:14])=[C:5]=[N-:6].[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1",InChI=1S/C2H2N2.C2H6/c3-1-2-4;1-2/h3H2;1-2H3,73.22364,49.40808,
5073,[C:1](#[C:2][H:5])[C:3]#[C:4][H:6],[C+:1](=[C:2]([H:5])[H:6])[C:3]#[C-:4],InChI=1S/C4H2/c1-3-4-2/h1-2H,InChI=1S/C4H2/c1-3-4-2/h1H2,106.53733999999999,47.52315,
5074,[C:1](#[C:2][H:5])[C:3]#[C:4][H:6],[C:1]12=[C:3]3[C@@:2]1([H:5])[C@:4]23[H:6],InChI=1S/C4H2/c1-3-4-2/h1-2H,"InChI=1S/C4H2/c1-2-3(1)4(1)2/h1-2H/t1-,2+",91.73607,75.63456,
5075,[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](/[C:4](=[C:5](\[O:6][H:15])[H:16])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-2-3-4-5-6/h4-6H,2-3H2,1H3/b5-4-",71.30789,8.415939999999999,ketoenol
5076,[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([O+:6]=[C-:5][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h2H,3-5H2,1H3",115.16153999999999,65.20347,
5077,[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3](=[C:4]([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:16],"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","InChI=1S/C4H8.CO.H2/c1-3-4-2;1-2;/h3H,1,4H2,2H3;;1H",74.38214,28.571790000000004,
5078,[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:15])([H:7])([H:8])[H:9].[C:3](=[C:4]([C:5](=[O:6])[H:16])[H:14])([H:12])[H:13],"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","InChI=1S/C3H4O.C2H6/c1-2-3-4;1-2/h2-3H,1H2;1-2H3",93.55747,21.39873,
5079,[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([C:5][O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,2-4H2,1H3",80.46709,52.62907,
5080,[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:6][C:5](=[C:4]([H:14])[H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5-6-4-2/h4H,2-3,5H2,1H3",95.66721,18.210179999999998,ketoenol
5081,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[C:5](=[O:6])([H:10])[H:11].[N:1]#[C:2][C:4](=[C:3]([H:7])[H:8])[H:9],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C3H3N.CH2O/c1-2-3-4;1-2/h2H,1H2;1H2",92.28054,7.4927600000000005,
5082,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[C-:4]1=[O+:6][C:5]1([H:10])[H:11].[N:1](=[C:2]=[C:3]([H:7])[H:8])[H:9],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C2H3N.C2H2O/c1-2-3;1-2-3-1/h3H,1H2;1H2",90.39336,80.06803000000001,
5083,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N+:1](#[C-:2])[C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c1-5-2-4-3-6-4/h4H,2-3H2/t4-/m0/s1",60.105959999999996,23.21462,
5084,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1](=[C:2]=[C:3]([H:7])[H:8])[C:5]([C:4](=[O:6])[H:9])([H:10])[H:11],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c1-2-5-3-4-6/h4H,1,3H2",69.71336,7.59467,
5085,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]#[C:2][C:3]([C:4][C:5]([O:6][H:9])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h6H,1,4H2",72.84535,68.33403,
5086,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]#[C:2][C:3]([C-:4]=[O+:6][C:5]([H:9])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c1-6-4-2-3-5/h2H2,1H3",75.62550999999999,38.24484,
5087,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]#[C:2]/[C:3](=[C:4](/[C:5]([O:6][H:7])([H:10])[H:11])[H:9])[H:8],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1-2,6H,4H2/b2-1+",56.9203,-9.93063,
5088,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]1([H:11])[C:2][C:3]([H:7])([H:8])[C@@:4]2([H:9])[C@:5]1([H:10])[O:6]2,"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c1-2-5-4-3(1)6-4/h3-5H,1H2/t3-,4-/m0/s1",98.4698,40.63512,
5089,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1](=[C:2]=[C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:8])[H:7],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h1,4-5H,3H2/t4-/m0/s1",90.56681,22.61003,
5090,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]#[C:2][C:3]([C:4]([O+:6]=[C-:5][H:10])([H:9])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c1-6-4-2-3-5/h1H,2,4H2",79.0618,48.92696,
5091,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]#[C:2][O:6][C:5]([C:4](=[C:3]([H:7])[H:8])[H:9])([H:10])[H:11],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c1-2-3-6-4-5/h2H,1,3H2",78.67305999999999,5.88861,
5092,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]#[C:2][C:3]([C@@:4]([C:5][H:10])([O:6][H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c1-4(6)2-3-5/h1,4,6H,2H2/t4-/m1/s1",72.25326,69.59331,
5093,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]#[C:2][C:3]([C:4](=[O+:6][C-:5]([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c1-6-4-2-3-5/h4H,1-2H2",67.46814,53.77078,
5094,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]#[C:2][C:3]([O:6][C:5]([C:4][H:9])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c1-2-6-4-3-5/h1H,2,4H2",117.48006000000001,89.31541,
5095,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[H:7][H:9].[N:1]#[C:2]/[C:3](=[C:4]1\[C:5]([H:10])([H:11])[O:6]1)[H:8],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H3NO.H2/c5-2-1-4-3-6-4;/h1H,3H2;1H/b4-1+;",108.30456000000001,32.70977,
5096,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[C:3](=[C:4]1[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8].[N:1]#[C:2][H:9],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1",InChI=1S/C3H4O.CHN/c1-3-2-4-3;1-2/h1-2H2;1H,106.69797,33.08125,
5097,[O:1]([C:2]([C:3]#[N:4])([H:6])[H:7])[H:5],[C+:2](=[C:3]=[N-:4])[H:6].[O:1]([H:5])[H:7],"InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2",InChI=1S/C2HN.H2O/c1-2-3;/h1H;1H2,76.84889,85.39159000000001,
5098,[O:1]([C:2]([C:3]#[N:4])([H:6])[H:7])[H:5],[O:1]([C:2]([N+:4]#[C-:3])([H:6])[H:7])[H:5],"InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2","InChI=1S/C2H3NO/c1-3-2-4/h4H,2H2",53.09214,18.81754,
5099,[O:1]([C:2]([C:3]#[N:4])([H:6])[H:7])[H:5],[C:3]=[N:4][H:5].[O:1]=[C:2]([H:6])[H:7],"InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2",InChI=1S/CHN.CH2O/c2*1-2/h2H;1H2,68.06434,34.67006,
5100,[O:1]([C:2]([C:3]#[N:4])([H:6])[H:7])[H:5],[O:1]([N:4]=[C:3]=[C:2]([H:6])[H:7])[H:5],"InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2","InChI=1S/C2H3NO/c1-2-3-4/h4H,1H2",104.73222,52.94971999999999,
5101,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1]([C:2]1=[N:3][N+:5]([N-:4][H:8])=[C:6]1[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-5-1-2(6)4-5/h1H,(H2,3,4,6)",107.26857,78.2392,
5102,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1]=[c:2]1[n:3]([H:7])[n:4]([H:8])[n:5][c:6]1[H:9],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)",55.7208,12.82516,ketoenol
5103,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1]([c:2]1[n:3]([H:8])[n:4][n:5][c:6]1[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)",51.64237,8.45776,
5104,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1]([C:2]1=[N:3][C@:6]1(/[N:5]=[N:4]/[H:8])[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-5-1-2(6)4-1/h1,3H,(H,4,6)/b5-3+/t1-/m0/s1",86.93656999999999,55.116969999999995,
5105,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[N:5]#[C:6][H:9].[O:1]([C:2]#[N+:3][N-:4][H:8])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/CH2N2O.CHN/c2-3-1-4;1-2/h2,4H;1H",87.44712,71.9688,
5106,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[N-:4]([N+:5]#[C:6][H:9])[H:8].[O:1]([C:2]#[N:3])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)",InChI=1S/CH2N2.CHNO/c1-3-2;2-1-3/h1-2H;3H,88.34501,67.5976,
5107,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1]([C:2]1=[C:6]=[N+:5]([H:9])[N:4]([H:8])[N-:3]1)[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)",InChI=1S/C2H2N3O/c6-2-1-3-5-4-2/h5-6H/q-1/p+1,81.95211,50.511990000000004,
5108,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1]([c:2]1[n:3][n:4][n:5]([H:8])[c:6]1[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)",49.01354,4.92502,
5109,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1]([C:2]([N:3]=[N:4][H:8])=[C:6]=[N:5][H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-1-2(6)5-4/h3-4,6H",81.94229,49.31476,
5110,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1]([C@:2]1(/[N:3]=[N:4]/[H:8])[N:5]=[C:6]1[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-5-2(6)1-4-2/h1,3,6H/b5-3+/t2-/m0/s1",89.13844,57.54433,
5111,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1][C:2]1=[N:3][N:4]([H:8])[N:5][C:6]1([H:7])[H:9],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h5H,1H2",83.01975,27.826179999999997,
5112,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[O:3][C:4]([H:10])([H:11])[O:5]1,[C-:1]1=[O+:5][C:4]([H:10])([H:11])[O:3][C:2]1([H:8])[H:9].[H:6][H:7],InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2,"InChI=1S/C3H4O2.H2/c1-2-5-3-4-1;/h1,3H2;1H",82.65087,62.8167,
5113,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[O:3][C:4]([H:10])([H:11])[O:5]1,[C:1](=[C:2]([H:8])[H:9])([H:6])[H:7].[O:3]=[C:4]([O:5][H:11])[H:10],InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2,"InChI=1S/C2H4.CH2O2/c1-2;2-1-3/h1-2H2;1H,(H,2,3)",95.86165,-3.2005,
5114,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[O:3][C:4]([H:10])([H:11])[O:5]1,[C:1](=[C:2]([O:3][C:4]([O:5][H:9])([H:10])[H:11])[H:8])([H:6])[H:7],InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2,"InChI=1S/C3H6O2/c1-2-5-3-4/h2,4H,1,3H2",79.40836,2.14454,
5115,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[O:3][C:4]([H:10])([H:11])[O:5]1,[C:1]([O:5][C:4]([O+:3]=[C-:2][H:9])([H:10])[H:11])([H:6])([H:7])[H:8],InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2,"InChI=1S/C3H6O2/c1-4-3-5-2/h1H,3H2,2H3",81.2892,65.62742,
5116,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[O:3][C:4]([H:10])([H:11])[O:5]1,[C-:1]1([H:7])[C:2]([H:8])([H:9])[O:3][C:4]([H:11])=[O+:5]1.[H:6][H:10],InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2,"InChI=1S/C3H4O2.H2/c1-2-5-3-4-1;/h1,3H,2H2;1H",85.27031,78.46008,
5117,[C:1]([N:2]([C:3](=[O:4])[O:5][C:6]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C-:1]([N+:2]([C:3](=[O:4])[O:5][C:6]([H:11])([H:12])[H:13])([H:8])[H:10])([H:7])[H:9],"InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)","InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1,4H2,2H3",93.83763,81.22166,
5118,[C:1]([N:2]([C:3](=[O:4])[O:5][C:6]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[O:4][H:10])[O:5][C:6]([H:11])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)","InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)",49.188590000000005,20.46636,ketoenol
5119,[C:1]([N:2]([C:3](=[O:4])[O:5][C:6]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([O:4][C:3](=[N:2][H:10])[O:5][C:6]([H:11])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)","InChI=1S/C3H7NO2/c1-5-3(4)6-2/h4H,1-2H3",83.21677,23.556079999999998,ketoenol
5120,[C:1]([N:2]([C:3](=[O:4])[O:5][C:6]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[O:4])([H:7])([H:8])[H:9].[O:5]([C:6]([H:11])([H:12])[H:13])[H:10],"InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)","InChI=1S/C2H3NO.CH4O/c1-3-2-4;1-2/h1H3;2H,1H3",53.44944,23.12399,"1,3_Insertion_ROR"
5121,[C:1]([N:2]([C:3](=[O:4])[O:5][C:6]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3](=[O:4])[H:13])[H:10])([H:7])([H:8])[H:9].[O:5]=[C:6]([H:11])[H:12],"InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)","InChI=1S/C2H5NO.CH2O/c1-3-2-4;1-2/h2H,1H3,(H,3,4);1H2",91.30013000000001,27.678990000000002,
5122,[C:1]([N:2]([C:3](=[O:4])[O:5][C:6]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1](=[N:2][H:10])([H:7])[H:9].[C:3](=[O:4])([O:5][C:6]([H:11])([H:12])[H:13])[H:8],"InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)","InChI=1S/C2H4O2.CH3N/c1-4-2-3;1-2/h2H,1H3;2H,1H2",106.5292,33.924659999999996,
5123,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[O:1]=[C:2]=[C:3]=[C:4]=[C:5]([O:6][H:7])[H:8],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,"InChI=1S/C4H2O2/c5-3-1-2-4-6/h3,5H",60.51641,9.69272,
5124,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[O+:1](=[C:2]([C:3]#[C-:4])[H:7])[C:5](=[O:6])[H:8],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,InChI=1S/C4H2O2/c1-2-3-6-4-5/h3-4H,66.82629,45.410379999999996,
5125,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[O:1]=[C:2]=[C:3]=[C:4]([C:5](=[O:6])[H:8])[H:7],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,"InChI=1S/C4H2O2/c5-3-1-2-4-6/h1,3H",74.99616,-5.29587,
5126,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[O:1]=[C:2]([C:4]1=[C:3]2[C@@:5]1([H:8])[O:6]2)[H:7],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,"InChI=1S/C4H2O2/c5-1-2-3-4(2)6-3/h1,3H/t3-/m0/s1",106.88342,57.553940000000004,
5127,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[C-:3]#[C:4][C+:5]([O:6][H:7])[H:8].[O+:1]#[C-:2],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,InChI=1S/C3H2O.CO/c1-2-3-4;1-2/h3-4H;,63.01201,42.541959999999996,
5128,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[O-:1][C:2](=[C:3]=[C:4]([C:5]#[O+:6])[H:8])[H:7],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,"InChI=1S/C4H2O2/c5-3-1-2-4-6/h1,4H",53.83415,15.8231,
5129,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[O:1]=[C:2]([C:3]#[C:4][O+:6]=[C-:5][H:8])[H:7],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,"InChI=1S/C4H2O2/c1-6-4-2-3-5/h1,3H",102.29285,78.83839,
5130,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[O:1]=[C:2]([C:3](=[C:4])[C:5](=[O:6])[H:8])[H:7],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,InChI=1S/C4H2O2/c1-4(2-5)3-6/h2-3H,49.63496,49.32915,
5131,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O+:3]=[C:4]([H:10])[N:5]([H:11])[C-:6]12,"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2,4-5H,1H2/t4-/m1/s1",89.39757,57.567330000000005,
5132,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1](=[C:2]([O:3][C:4](=[N+:5]=[C-:6][H:11])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-3-6-4-5-2/h2-4H,1H2",56.18659,49.56123,
5133,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]1([H:10])[N:5]=[C:6]2[H:11],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-3-2-5-4(1)6-3/h2-4H,1H2/t3-,4+/m1/s1",68.06253000000001,25.56725,
5134,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]([C@@:2]1([H:9])[O:3][C:4]([H:10])=[N:5][C:6]1([H:8])[H:11])[H:7],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h1,3-4H,2H2/t4-/m1/s1",65.23122,66.75076,
5135,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]1([H:7])([H:8])[C-:2]=[O+:3][C:4]([H:10])=[N:5][C:6]1([H:9])[H:11],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-2-5-4-6-3-1/h4H,1-2H2",60.52901,42.205870000000004,
5136,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]([C:2](=[O:3])[H:9])([C@@:6]1([H:11])[C:4]([H:10])=[N:5]1)([H:7])[H:8],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c6-2-1-4-3-5-4/h2-4H,1H2/t4-/m0/s1",73.70249,20.3157,
5137,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]([C@@:6]1([H:11])[C-:2]=[O+:3][C:4]([H:10])=[N:5]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h3-4H,1H3/t4-/m0/s1",56.973319999999994,31.1565,
5138,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O+:3]=[C-:4][N:5]([H:10])[C@@:6]12[H:11],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h3-5H,1H2/t3-,4+/m0/s1",68.75273,27.693140000000003,
5139,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]1([H:8])=[C:2]([H:9])[C:6]1([N:5]([C:4](=[O:3])[H:10])[H:7])[H:11],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c6-3-5-4-1-2-4/h1-4H,(H,5,6)",85.41311999999999,18.09597,
5140,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:11])[O:3][C:4]([H:10])=[N+:5]=[C-:6]1,"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-2-5-4-6-3-1/h4H,1,3H2",65.5185,46.18378,
5141,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1](=[C:2](/[C:6](=[N:5]\[C:4](=[O:3])[H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-2-3-5-4-6/h2-4H,1H2/b5-3-",47.52384,-3.78599,
5142,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]([C:2](=[O:3])[H:9])([C:6](=[N+:5]=[C-:4][H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-5-3-2-4-6/h1,3-4H,2H2",46.89348,32.34407,
5143,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:6]1[H:11].[O:3]=[C:4]=[N:5][H:10],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C3H4.CHNO/c1-2-3-1;2-1-3/h1-2H,3H2;2H",95.80957,23.2437,
5144,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]2([H:10])[N:5]=[C:6]1[H:11],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-2-5-4-3(1)6-4/h2-4H,1H2/t3-,4+/m1/s1",97.18884,94.63314,
5145,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1](=[C:6]([C:2](=[O:3])[H:9])[H:11])([H:7])[H:8].[C:4](#[N:5])[H:10],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C3H4O.CHN/c1-2-3-4;1-2/h2-3H,1H2;1H",67.80533,5.26598,
5146,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][o:6]1,[N:3]([C:4]#[N:5])([H:7])[H:8].[O:1]=[C:2]=[O:6],"InChI=1S/C2H2N2O2/c5-2-3-1-4-6-2/h1H,(H,3,4,5)",InChI=1S/CH2N2.CO2/c2*2-1-3/h2H2;,58.8525,-31.34583,
5147,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][o:6]1,[N:3](=[C:4]=[N:5][H:8])[H:7].[O:1]=[C:2]=[O:6],"InChI=1S/C2H2N2O2/c5-2-3-1-4-6-2/h1H,(H,3,4,5)",InChI=1S/CH2N2.CO2/c2*2-1-3/h2-3H;,58.83108000000001,-30.608209999999996,
5148,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][o:6]1,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][o:6]1)[H:7],"InChI=1S/C2H2N2O2/c5-2-3-1-4-6-2/h1H,(H,3,4,5)","InChI=1S/C2H2N2O2/c5-2-3-1-4-6-2/h1H,(H,3,4,5)",54.05587,6.42111,ketoenol
5149,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][o:6]1,[N:3](=[C:4](/[N:5]=[O:6])[H:8])\[H:7].[O+:1]#[C-:2],"InChI=1S/C2H2N2O2/c5-2-3-1-4-6-2/h1H,(H,3,4,5)",InChI=1S/CH2N2O.CO/c2-1-3-4;1-2/h1-2H;/b2-1+;,87.35,58.368159999999996,
5150,[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:10])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-3-5(6)4-2/h3,6H,4H2,1-2H3/b5-3-",70.40734,11.26419,ketoenol
5151,[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:7])([H:10])[H:11])([O+:4]=[C-:3][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-3-5-6-4-2/h3-4H2,1-2H3",116.58337,63.54558000000001,
5152,[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:3]([C:2]([C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])=[O:4])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3",100.01928000000001,1.62973,
5153,[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2](=[C:3]=[O:4])([C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11],"InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3","InChI=1S/C4H6O.CH4/c1-2-3-4-5;/h3H,2H2,1H3;1H4",90.4972,22.8347,
5154,[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:3](=[O:4])=[C:5]([C:6]([H:14])([H:15])[H:16])[H:13],"InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3","InChI=1S/C3H4O.C2H6/c1-2-3-4;1-2/h2H,1H3;1-2H3",84.53611,25.01631,
5155,[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][C:3](=[C:2]([H:10])[H:11])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-4-5(2)6-3/h2,4H2,1,3H3",100.38393,21.984779999999997,ketoenol
5156,[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:5]([C:3](=[O:4])[H:12])([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1",83.02426,8.541360000000001,
5157,[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][C:3](=[C:2]([H:10])[H:11])[C:5]([O:6][H:14])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(3-5)6-2/h5H,1,3H2,2H3",100.45474,24.01284,ketoenol
5158,[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3]([O:4][H:14])=[C:5](/[O:6][H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-2-4(6)3-5/h3,5-6H,2H2,1H3/b4-3-",67.62692,10.109960000000001,ketoenol
5159,[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[O:4])[H:11])([H:7])([H:8])[H:9].[C:5]([O:6][H:14])([H:10])([H:12])[H:13],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C3H4O.CH4O/c1-2-3-4;1-2/h2H,1H3;2H,1H3",78.27994,29.37466,
5160,[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:14],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H6O2.H2/c1-2-4(6)3-5;/h3H,2H2,1H3;1H",96.62775,29.36807,
5161,[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([O+:4]=[C:3]([C:2]([H:8])([H:10])[H:11])[C:5]([O:6][H:14])([H:12])[H:13])([H:7])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(3-5)6-2/h5H,2-3H2,1H3",106.60453999999999,75.38409,
5162,[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@:3]1([O:4][H:14])[C:5]([H:12])([H:13])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-2-4(5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1",54.56154,20.01395,
5163,[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@:3]([O:4][H:14])([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m0/s1",42.63557,4.8745400000000005,
5164,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]([C:5]([O:6][H:13])([H:15])[H:16])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4-6-5/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3",92.47308000000001,-4.0479199999999995,
5165,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]([H:13])[H:14])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:15])[H:16],"InChI=1S/C5H10O/c1-5(2)3-4-6-5/h3-4H2,1-2H3","InChI=1S/C4H8.CH2O/c1-4(2)3;1-2/h1H2,2-3H3;1H2",57.65919,10.76078,2+2_cycloaddition
5166,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:4]1([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1,"InChI=1S/C5H10O/c1-5(2)3-4-6-5/h3-4H2,1-2H3",InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3-1/h1-2H3;1-2H2,120.03738,100.42266,
5167,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2][C:4]([C:5]([O:6][C:3]([H:10])([H:11])[H:12])([H:15])[H:16])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4-6-5/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h4-5H2,1-2H3",123.66098000000001,75.80742,
5168,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:16])[O+:6]=[C-:5][H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4-6-5/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-5(2,3)6-4/h4H,1-3H3",85.62696,47.61668,
5169,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:14])=[C:5]([H:15])[O:6]1)([H:7])([H:8])[H:9].[H:13][H:16],"InChI=1S/C5H10O/c1-5(2)3-4-6-5/h3-4H2,1-2H3","InChI=1S/C5H8O.H2/c1-5(2)3-4-6-5;/h3-4H,1-2H3;1H",117.47693999999998,32.624959999999994,
5170,[C:1]([O:2][C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:14])[H:15].[H:10][H:16],"InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3","InChI=1S/C3H6O.CH2O.H2/c1-3-4-2;1-2;/h3H,1H2,2H3;1H2;1H",81.14841,45.57072,
5171,[C:1]([O:2][C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([C:5][H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[O:6]([H:14])[H:16],"InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3","InChI=1S/C4H8O.H2O/c1-3-4-5-2;/h1H,3-4H2,2H3;1H2",82.68375999999999,91.2972,
5172,[C:1]([O:2][C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4](=[C:5]([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[O:6]([H:13])[H:16],"InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3","InChI=1S/C4H8O.H2O/c1-3-4-5-2;/h3H,1,4H2,2H3;1H2",68.3462,13.957,"1,3_Insertion_ROR"
5173,[C:1]([O:2][C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([O:6][H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([H:14])[H:15],"InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3","InChI=1S/C3H8O2.CH2/c1-5-3-2-4;/h4H,2-3H2,1H3;1H2",127.45933000000001,112.23428999999999,
5174,[C:1]([O:2][C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([O:6][H:16])[H:15],"InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3","InChI=1S/C3H8O.CH2O/c1-3-4-2;1-2/h3H2,1-2H3;1-2H",87.29328000000001,74.86681,
5175,[C:1]([O:2][C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:4](\[C:5]([O:6][H:16])([H:14])[H:15])[H:12])[H:11])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3","InChI=1S/C4H8O2.H2/c1-6-4-2-3-5;/h2,4-5H,3H2,1H3;1H/b4-2-;",107.22097,29.026809999999998,
5176,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:3][N:6]1/[C:5](=[N:4]/[H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-6-2(4)5-6/h1,3H,(H2,4,5)/b3-1+",90.62747,68.11932,
5177,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C:2](=[N:3][N:4]([H:9])[H:10])[N+:6]#[C-:5])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c1-5-2(3)6-4/h4H2,(H2,3,6)",91.10074,47.83614,
5178,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[C:5](#[N:6])[H:10].[N:1]([C:2]#[N+:3][N-:4][H:9])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/CH3N3.CHN/c2-1-4-3;1-2/h3H,2H2;1H",88.64612,78.73468000000001,
5179,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1](=[c:2]1/[n:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)\[H:7],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)",67.67748,24.30425,
5180,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([c:2]1[n:3][n:4]([H:9])[c-:5][n+:6]1[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h4H,(H3,3,5,6)",70.75097,27.983729999999998,
5181,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N+:1]1([H:7])([H:8])[C:2](=[N:6][C:5](=[N:4][H:9])[H:10])[N-:3]1,"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-4-2-5-6-2/h1H,5H2,(H-,3,4,6)",81.69351,74.94389,
5182,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([c:2]1[n:3]([H:9])[n:4][c:5]([H:10])[n:6]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)",47.10086,0.7882600000000001,
5183,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1](=[c:2]1[n-:3][n:4]([H:9])[c:5]([H:10])[n+:6]1[H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H3N4/c3-2-4-1-5-6-2/h1H,(H2-,3,4,5,6)/q-1/p+1",63.405159999999995,31.506909999999998,
5184,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:6][C:5]([H:9])([H:10])[N:4]=[N:3]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H2,(H2,3,4)",48.57841,23.288520000000002,
5185,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2][C:6]([C:4]([C:3]([H:10])([H:11])[H:12])([C:5]([H:14])([H:15])[H:16])[H:13])([H:17])[H:18])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5-3-6(2)4-5/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C6H12/c1-4-5-6(2)3/h6H,5H2,1-3H3",79.26731,64.71325999999999,
5186,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:6]1([C:4](=[C:5]([H:14])[H:16])[H:13])[H:18])([H:7])([H:8])[H:9].[H:15][H:17],"InChI=1S/C6H12/c1-5-3-6(2)4-5/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C6H10.H2/c1-3-6-4-5(6)2;/h3,5-6H,1,4H2,2H3;1H/t5-,6-;/m0./s1",113.70889,31.917440000000003,
5187,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1[C:3]([H:11])([H:12])[C:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C:6]1([H:17])[H:18],"InChI=1S/C6H12/c1-5-3-6(2)4-5/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C5H8.CH4/c1-5-3-2-4-5;/h5H,3-4H2,1H3;1H4",94.45806999999999,89.22125,
5188,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])=[C:4]([H:13])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9].[C:5]([H:11])([H:14])([H:15])[H:16],"InChI=1S/C6H12/c1-5-3-6(2)4-5/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C5H8.CH4/c1-5-3-2-4-5;/h2-3,5H,4H2,1H3;1H4/t5-;/m0./s1",116.46144,23.17202,
5189,[C:1]([C:2]([C:3]([O:4][H:13])([C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[O:4][H:13])[H:12])[H:10])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:16])[H:18])([H:14])[H:15].[H:11][H:17],"InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3","InChI=1S/C3H6O.C2H4.H2/c1-2-3-4;1-2;/h2-4H,1H3;1-2H2;1H/b3-2+;;",96.28458,51.321529999999996,
5190,[C:1]([C:2]([C:3]([O:4][H:13])([C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:3]([O:4][H:13])[C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15],"InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3","InChI=1S/C3H6O.C2H6/c1-2-3-4;1-2/h4H,2H2,1H3;1-2H3",84.48676,65.15756,
5191,[C:1]([C:2]([C:3]([O:4][H:13])([C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[C:5](/[C:6]([H:16])([H:17])[H:18])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[O:4]([H:13])[H:14],"InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3","InChI=1S/C5H10.H2O/c1-3-5-4-2;/h3,5H,4H2,1-2H3;1H2/b5-3+;",65.87137,11.2878,"1,3_Insertion_ROR"
5192,[C:1]([C:2]([C:3]([O:4][H:13])([C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[O:4]([C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])[H:13],"InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3","InChI=1S/C3H6.C2H6O/c1-3-2;1-2-3/h1H,3H2,2H3;3H,2H2,1H3",126.35202,26.290490000000002,
5193,[C:1]([C:2]([C:3]([O:4][H:13])([C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]([C:3](=[O:4])[H:12])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[C:6]([H:13])([H:16])([H:17])[H:18],"InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3","InChI=1S/C4H8O.CH4/c1-2-3-4-5;/h4H,2-3H2,1H3;1H4",102.55272,7.9748600000000005,
5194,[C:1]([C:2](=[O:3])[C:4]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7],[C:1]([O+:3]=[C-:2][C:4]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7],InChI=1S/C3H6O/c1-3(2)4/h1-2H3,InChI=1S/C3H6O/c1-3-4-2/h1-2H3,114.50391,66.15785,
5195,[C:1]([C:2](=[O:3])[C:4]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7],[C:1]([C:2](=[O:3])[H:6])([C:4]([H:8])([H:9])[H:10])([H:5])[H:7],InChI=1S/C3H6O/c1-3(2)4/h1-2H3,"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3",98.22831,8.18046,
5196,[C:1]([C:2](=[O:3])[C:4]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7],[C:1]([C:2]([O:3][H:9])=[C:4]([H:8])[H:10])([H:5])([H:6])[H:7],InChI=1S/C3H6O/c1-3(2)4/h1-2H3,"InChI=1S/C3H6O/c1-3(2)4/h4H,1H2,2H3",65.29495,11.0497,ketoenol
5197,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[O+:1](=[C-:2][H:7])[C@@:5]1([H:8])[C:3](=[O:4])[O:6]1,InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,"InChI=1S/C3H2O3/c1-5-3-2(4)6-3/h1,3H/t3-/m1/s1",83.37425,70.11828,
5198,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[O:1]([C+:2]=[C:3]([O-:4])[C:5](=[O:6])[H:8])[H:7],InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,"InChI=1S/C3H2O3/c4-1-3(6)2-5/h1H,(H-,4,5,6)",79.97046,45.396359999999994,
5199,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[O:1]1[C@:2]2([H:7])[C:3](=[O:4])[C@@:5]1([H:8])[O:6]2,InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,"InChI=1S/C3H2O3/c4-1-2-5-3(1)6-2/h2-3H/t2-,3+",65.70116,50.16026,
5200,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[C-:5]#[O+:6].[O-:1][C:2](=[C+:3][O:4][H:8])[H:7],InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,"InChI=1S/C2H2O2.CO/c3-1-2-4;1-2/h1H,(H-,3,4);",54.20151,42.66335,
5201,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[O-:1][C:2](=[C:3]=[O+:4][C:5](=[O:6])[H:8])[H:7],InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,"InChI=1S/C3H2O3/c4-1-2-6-3-5/h1,3H",57.74165,42.82866,
5202,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[C:3](=[O:4])=[C:5]([O:6][H:7])[H:8].[O+:1]#[C-:2],InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,"InChI=1S/C2H2O2.CO/c3-1-2-4;1-2/h1,3H;",43.57232,5.02975,
5203,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[C-:3]#[O+:4].[O+:1](=[C-:2][H:7])[C:5](=[O:6])[H:8],InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,InChI=1S/C2H2O2.CO/c1-4-2-3;1-2/h1-2H;,64.0284,48.36691,
5204,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[O+:1]#[C:2][C:3]([O-:4])=[C:5]([O:6][H:7])[H:8],InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,"InChI=1S/C3H2O3/c4-1-3(6)2-5/h1H,(H-,4,6)",43.553059999999995,27.51404,
5205,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[O:1]=[C:2]([O:6][C:5](=[C:3]=[O:4])[H:8])[H:7],InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,InChI=1S/C3H2O3/c4-1-2-6-3-5/h2-3H,53.7205,0.39185,ketoenol
5206,[N:1]#[C:2][C:3]#[N:4],[N+:1](#[C-:2])[N+:4]#[C-:3],InChI=1S/C2N2/c3-1-2-4,InChI=1S/C2N2/c1-3-4-2,109.09567,72.1641,
5207,[N:1]#[C:2][C:3]#[N:4],[N+:1](#[C-:2])[C:3]#[N:4],InChI=1S/C2N2/c3-1-2-4,InChI=1S/C2N2/c1-4-2-3,59.56904,23.571479999999998,
5208,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]([H:13])[H:14])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:17])[H:18])([H:15])[H:16],"InChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3","InChI=1S/C4H8.C2H4/c1-4(2)3;1-2/h1H2,2-3H3;1-2H2",96.51385,18.48549,
5209,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:4]([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9].[C:3]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3","InChI=1S/C5H8.CH4/c1-5-3-2-4-5;/h3H,2,4H2,1H3;1H4",112.99418999999999,19.358810000000002,
5210,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])=[C:5]([H:15])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9].[H:14][H:16],"InChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3","InChI=1S/C6H10.H2/c1-6(2)4-3-5-6;/h3-4H,5H2,1-2H3;1H",124.50045,33.37526,
5211,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2][C:4]([C:5]([C:6]([C:3]([H:10])([H:11])[H:12])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3,5-6H2,1-2H3",137.75672,67.155,
5212,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:16])[C:6]([C:5][H:15])([H:17])[H:18])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3","InChI=1S/C6H12/c1-5-6(2,3)4/h1H,5H2,2-4H3",83.22243,79.60672,
5213,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C-:4]=[O+:6][C:5]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1",InChI=1S/C5H6O/c1-3-4-5-6-2/h1-2H3,72.59456,33.20364,
5214,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C:4](=[O+:6][C-:5]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-3-4-5-6-2/h5H,2H2,1H3",59.69076999999999,45.569959999999995,
5215,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]=[C:4]([H:10])[O:6][C:5]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-5-2-3-6-4-5/h3H,4H2,1H3",75.52026,14.08066,
5216,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-4(2)5-3-6-5/h5H,3H2,1H3/t5-/m1/s1",56.74729,53.79898000000001,
5217,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:8])([H:7])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h3,5H,1,4H2/t5-/m0/s1",80.94870999999999,0.64679,
5218,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]=[C:4]([C:5]([O:6][H:8])([H:11])[H:12])[H:10])([H:7])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h4,6H,1,5H2",64.30474,-0.38213,
5219,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]1[C:5]([H:11])([H:12])[O:6]1)[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h2H,4H2,1H3",85.31426,9.74572,
5220,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([C:5](=[O:6])[H:12])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h2,4-5H,1H3",90.14180999999999,-25.967979999999997,
5221,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C+:1]([C:2](=[C-:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:8])([H:7])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h2,5H,1,4H2/t5-/m0/s1",80.57316,55.40668,
5222,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]=[C:4]([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2H,4H2,1H3",64.63941,10.753739999999999,
5223,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]/[C:3](=[C:4]1/[C:5]([H:11])([H:12])[O:6]1)[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h3H,4H2,1H3/b5-3-",82.62488,54.65925,
5224,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]=[C:4]1[H:10])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:11])[H:12],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C4H4.CH2O/c1-4-2-3-4;1-2/h2H,1H3;1H2",81.72653000000001,41.48717,
5225,[C:1]([N:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N+:2]([C:3]([C:5]#[N:6])([H:11])[H:12])([C-:4]([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3/t4-/m0/s1","InChI=1S/C4H8N2/c1-6(2)4-3-5/h6H,1,4H2,2H3",109.71534,73.12164,
5226,[C:1]([N:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([N+:6]#[C-:5])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3/t4-/m0/s1","InChI=1S/C4H8N2/c1-4(5-2)6-3/h4-5H,1-2H3/t4-/m1/s1",44.030440000000006,18.15672,
5227,[C:1]([N:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:5]1=[N:6][C@@:3]1([C:4]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3/t4-/m0/s1","InChI=1S/C4H8N2/c1-3-4(5-2)6-3/h3H,1-2H3,(H,5,6)/t3-/m1/s1",93.24548,26.454790000000003,
5228,[C:1]([N:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C+:1]([N:2]([C:3]([C:4]([H:12])([H:13])[H:14])=[C:5]=[N-:6])[H:10])([H:7])[H:8].[H:9][H:11],"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3/t4-/m0/s1","InChI=1S/C4H6N2.H2/c1-4(3-5)6-2;/h6H,2H2,1H3;1H",67.61927,48.45505,
5229,[C:1]([N:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[N:2]([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C:5][N:6]1[H:9],"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3/t4-/m0/s1","InChI=1S/C4H8N2/c1-4-2-5-3-6-4/h4-6H,3H2,1H3/t4-/m0/s1",79.23262,38.600770000000004,
5230,[C:1]([N:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N+:2]([C-:3]([C:4]([H:12])([H:13])[H:14])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3/t4-/m0/s1","InChI=1S/C4H8N2/c1-4(3-5)6-2/h6H2,1-2H3",68.68978,46.82544,
5231,[C:1]([N:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N+:2]([C-:3]([C:5]#[N:6])[H:11])([C:4]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3/t4-/m0/s1","InChI=1S/C4H8N2/c1-6(2)4-3-5/h4,6H,1-2H3",103.48371,50.1915,
5232,[C:1]([N:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[C:4]([H:12])([H:13])[H:14])[H:11])([H:7])([H:8])[H:9].[C:5]=[N:6][H:10],"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3/t4-/m0/s1","InChI=1S/C3H7N.CHN/c1-3-4-2;1-2/h3H,1-2H3;2H/b4-3+;",46.41213,33.70012,
5233,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:12])[N:5]2[C@@:3]1([H:10])[N:4]2[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-3-2-6-4(3)5-6/h2,4-5H,1H3/t4-,6?/m1/s1",113.92658999999999,82.8004,
5234,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:6](=[C:2]=[C:3]([N:4]([N:5])[H:11])[H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-2-3-4-6-5/h2,4,6H,1H3",153.08437,85.46069,
5235,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@:2](/[C:3](=[N:4]/[H:11])[H:10])([C:6]#[N:5])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4(2-5)3-6/h2,4-5H,1H3/b5-2+/t4-/m1/s1",95.82484000000001,6.12246,
5236,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:8])([H:10])[N:4]([H:11])[N:5]=[C:6]1[H:12])([H:7])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2,6H,1,3H2",100.4244,28.9774,
5237,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[C:6](/[N:5]=[N:4]/[H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-2-3-4-6-5/h2,4-5H,1H3/b6-5+",92.65625,62.00467,
5238,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:6]1([H:12])[C+:2]=[C:3]([H:10])[N:4]([H:11])[N-:5]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h3-5H,1H3/t4-/m0/s1",102.55991999999999,84.6791,
5239,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[N-:4]([N+:5]#[C:6][H:12])[H:11],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C3H4.CH2N2/c2*1-3-2/h1H,2H3;1-2H",117.2223,98.53076999999999,
5240,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:6]=[N:5][N:4]([C:3][H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-3-4-6-5-2/h2-3,5H,1H3",147.29443999999998,94.29149,
5241,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:12])[C@:3]1([N:4]([N:5])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-3-2-4(3)6-5/h2,4,6H,1H3/t4-/m1/s1",146.76428,94.66711,
5242,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[N:4][H:11])[H:10])=[C:6]=[N:5][H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4(2-5)3-6/h2,5-6H,1H3",89.82066999999999,23.73454,
5243,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:12])[N:5]=[N:4][C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2H,3H2,1H3",51.02474,26.63445,
5244,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([c:2]1[c+:3]([H:10])[n:4]([H:11])[n:5]([H:12])[c-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2,5-6H,1H3",77.59057,51.770270000000004,
5245,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3][N:4]([H:11])[N:5]=[C:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2,4,6H,1H3/t4-/m1/s1",63.850480000000005,54.49935,Singlet_Carbene_Intra_Disproportionation
5246,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@:2]1(/[C:3](=[N:4]/[H:11])[H:10])[N:5]=[C:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h2-3,5H,1H3/b5-2+/t4-/m1/s1",90.23517,43.81862,
5247,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:12])[N:5]1[N:4]([C:3][H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-3-6(4)5-2/h2-3,5H,1H3",154.06672,128.7868,
5248,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]([C:6][H:14])([H:10])[C:4]([H:11])([H:12])[C@@:5]12[H:13],"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-4-2-5-3-6(4)5/h1,4-6H,2-3H2/t4-,5+,6+/m1/s1",89.01635999999999,70.31981999999999,
5249,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3][C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]2([H:10])[H:14],"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-2-6-3-5(1)4-6/h5-6H,1,3-4H2/t5-,6+",58.724880000000006,44.085190000000004,
5250,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:11],"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-4-5-2-3-6(4)5/h2-6H,1H3/t4-,5+,6-",103.38886,5.28796,
5251,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:14])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C:6]2,"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-2-6-3-5(1)4-6/h5-6H,1-3H2/t5-,6+",56.323319999999995,37.69773,
5252,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]([H:10])([C:4]([H:11])([H:12])[C:5]1)[C:6]2([H:13])[H:14],"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h5-6H,2-4H2/t5-,6+",69.13168,37.735409999999995,
5253,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@@:3]([C:4][H:12])([H:10])[C@:6]2([H:14])[C:5]1([H:11])[H:13],"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-4-5-2-3-6(4)5/h1,4-6H,2-3H2/t4-,5+,6-",82.63476,63.332609999999995,
5254,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]([C:4]([H:11])([H:12])[H:13])([H:10])[C@@:6]2([H:14])[C:5]1,"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-4-5-2-3-6(4)5/h4-6H,2H2,1H3/t4-,5+,6-/m1/s1",74.83282,43.86723,
5255,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1]1([H:7])([H:8])[C@:2]([C:3](=[C:4]([H:11])[H:12])[H:10])([H:9])[C:6]([H:14])=[C:5]1[H:13],"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-2-6-4-3-5-6/h2-4,6H,1,5H2/t6-/m0/s1",61.75086999999999,-10.27643,
5256,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1]1([H:7])([H:8])[C:2][C@@:6]2([H:14])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@@:5]12[H:13],"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-2-6-4-3-5(1)6/h5-6H,1-3H2/t5-,6+/m0/s1",60.38383,58.5244,
5257,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C@:6]2([C:3][H:10])[H:14],"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-4-5-2-6(4)3-5/h1,4-6H,2-3H2/t4-,5-,6+",121.97391,83.58638,
5258,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]([O:6][H:18])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[H:17])([H:7])([H:8])[H:9].[C:5]([O:6][H:18])[H:16],"InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3","InChI=1S/C4H10.CH2O/c1-4(2)3;1-2/h4H,1-3H3;1-2H",82.39788,69.72323,
5259,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]([O:6][H:18])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:14])([H:15])[C:5]1([H:16])[H:17])([H:7])([H:8])[H:9].[O:6]([H:13])[H:18],"InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3","InChI=1S/C5H10.H2O/c1-5(2)3-4-5;/h3-4H2,1-2H3;1H2",95.32376,15.51396,
5260,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]([O:6][H:18])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2](=[C:3]([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]([O:6][H:18])([H:16])[H:17],"InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3","InChI=1S/C4H8O.CH4/c1-4(2)3-5;/h5H,1,3H2,2H3;1H4",110.08339,18.97811,
5261,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]([O:6][H:18])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]([H:14])[H:15])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:16])[H:17].[H:13][H:18],"InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3","InChI=1S/C4H8.CH2O.H2/c1-4(2)3;1-2;/h1H2,2-3H3;1H2;1H",88.46437,44.93305,
5262,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N:1]1=[N:5][C:4]([H:9])=[C:3]([H:8])[C:2]1([H:6])[H:7],"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-2H,3H2",51.810990000000004,28.705090000000002,
5263,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N:1](=[C:2](/[C:3]([C:4]#[N:5])([H:8])[H:9])[H:7])\[H:6],"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c4-2-1-3-5/h2,4H,1H2/b4-2+",95.0626,4.64433,
5264,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N+:1]1([H:6])([H:7])[C-:2]=[C:3]([H:8])[C:4]([H:9])=[N:5]1,"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-2H,5H2",86.86856,74.14874,
5265,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[C:2](#[C:3][H:8])[H:7].[N-:1]([N+:5]#[C:4][H:9])[H:6],"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)",InChI=1S/C2H2.CH2N2/c1-2;1-3-2/h1-2H;1-2H,118.28456000000001,102.23165,
5266,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N:1]([C:2]1([H:7])[C:3]([H:8])=[C:4]1[H:9])([N:5])[H:6],"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c4-5-3-1-2-3/h1-3,5H",150.36491,99.358,
5267,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N:1]1([H:6])[C:2]([H:7])=[C+:3][C:4]([H:8])([H:9])[N-:5]1,"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-4-5-3-1/h2,4H,3H2",84.66058000000001,83.99698000000001,
5268,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N:1]1([H:6])[C@@:2]2([H:7])[C:3]([H:8])=[C:4]([H:9])[N:5]12,"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-5-3(1)4-5/h1-4H/t3-,5?/m1/s1",113.07112,86.06326999999999,
5269,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N:1](=[C:2]([C:3](=[C:4]=[N:5][H:9])[H:8])[H:7])[H:6],"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c4-2-1-3-5/h1-2,4-5H",78.33985,22.28221,
5270,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N:1]1([H:6])[C:2]([H:7])=[C:3]=[C:4]([H:9])[N:5]1[H:8],"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)",InChI=1S/C3H4N2/c1-2-4-5-3-1/h2-5H,101.51096,67.11832,
5271,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N:1]1([H:6])[C:2]([H:7])([H:8])[C+:3]=[C:4]([H:9])[N-:5]1,"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-4-5-3-1/h2,5H,3H2",78.7039,77.99244,Singlet_Carbene_Intra_Disproportionation
5272,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N:1]1([H:6])[C:2][C:3]([H:7])([H:8])[C:4]([H:9])=[N:5]1,"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-4-5-3-1/h2,5H,1H2",64.88543,52.42042,Singlet_Carbene_Intra_Disproportionation
5273,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N-:1]([N+:5]1=[C:4]([H:9])[C:3]([H:8])=[C:2]1[H:7])[H:6],"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)",InChI=1S/C3H4N2/c4-5-2-1-3-5/h1-4H,122.36668,102.66913000000001,
5274,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[n:1]1([H:6])[c+:2]([H:7])[c:3]([H:8])[c-:4][n:5]1[H:9],"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-2,4-5H",78.36766999999999,52.55008,
5275,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C@@:1]12([H:7])[C:2]([H:8])=[N:3][N:4]1[C:5]([H:9])=[C:6]2[H:10],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,InChI=1S/C4H4N2/c1-2-6-4(1)3-5-6/h1-4H/t4-/m1/s1,99.90172,68.14093000000001,
5276,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[c:1]1([H:7])[c-:2][n:3]([H:8])[n:4][c:5]([H:9])[c+:6]1[H:10],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-3,6H",81.07069,37.314890000000005,
5277,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])=[C+:6][C:5]([H:9])([H:10])[N-:4][N:3]=[C:2]1[H:8],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1,3H,4H2",93.35370999999999,84.76151,Singlet_Carbene_Intra_Disproportionation
5278,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1=[C:2]([H:8])[N:3]([H:7])[N:4]=[C:5]([H:9])[C:6]=1[H:10],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1,3-4,6H",111.67281000000001,49.51659,
5279,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])=[C:6]([H:10])[C@:5]2([H:9])[C@@:2]1([H:8])[N:3]=[N:4]2,InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-4-3(1)5-6-4/h1-4H/t3-,4+",94.74901,65.45979,Intra_2+2_cycloaddition_Cd
5280,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])=[C:6]([H:10])[C:5]([H:9])=[N+:4]2[C@:2]1([H:8])[N-:3]2,InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,InChI=1S/C4H4N2/c1-2-4-5-6(4)3-1/h1-4H/t4-/m0/s1,89.39947,88.62544,
5281,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1(=[C:2]([H:7])[H:8])[N+:4](=[N-:3])[C:5]([H:9])=[C:6]1[H:10],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-4-2-3-6(4)5/h2-3H,1H2",113.04335,75.43841,
5282,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])=[C:6]([H:10])[C:5]1([N-:4][N+:3]#[C:2][H:8])[H:9],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,InChI=1S/C4H4N2/c1-5-6-4-2-3-4/h1-4H,111.24078,97.55229,
5283,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1](/[C:2](=[N:3]\[N+:4]#[C-:5])[H:8])(=[C:6]([H:9])[H:10])[H:7],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-3-4-6-5-2/h3-4H,1H2/b6-4-",100.95215999999999,49.94627,
5284,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])=[C:6]=[C:5]([H:9])[N-:4][N:3]([H:10])[C+:2]1[H:8],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1,3-5H",118.21848999999999,53.96405,
5285,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])=[C:6]([H:10])[C:5]([H:8])([H:9])[N-:4][N+:3]#[C:2]1,InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-2H,3H2",107.13282,81.38606999999999,
5286,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]([C-:2]([N+:3]#[N:4])[H:8])(=[C:6]=[C:5]([H:9])[H:10])[H:7],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-3-4-6-5/h3-4H,1H2",93.33295,46.1094,
5287,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])=[C:2]([H:8])[C:5]([H:9])=[C:6]1[H:10].[N:3]#[N:4],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,InChI=1S/C4H4.N2/c1-2-4-3-1;1-2/h1-4H;,171.25527,39.0497,
5288,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1](#[C:2][H:8])[H:7].[C:5](#[C:6][H:10])[H:9].[N:3]#[N:4],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,InChI=1S/2C2H2.N2/c3*1-2/h2*1-2H;,110.79216000000001,42.92792,
5289,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C@:1]12([H:7])[C@:2]3([H:8])[N:3]=[N:4][C@@:5]1([H:9])[C@:6]23[H:10],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c5-3-1-2(3)4(1)6-5/h1-4H/t1-,2+,3-,4+",86.64321,54.909580000000005,
5290,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C:2]([C:3]([C:4](=[O:5])[H:10])([H:8])[H:9])=[C:6]([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-4(6)2-3-5/h3,6H,1-2H2",45.41086,-39.52166,
5291,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C:2]1([C:3]([H:8])([H:9])[H:11])[C-:4]([H:10])[O+:5]=[C:6]1[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-4(5)2-6-3-4/h2-3,5H,1H3",83.62608,50.60348,
5292,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C:3]([C@:4]1([H:10])[C:2][C:6]([H:11])([H:12])[O:5]1)([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h4-5H,2-3H2/t4-/m0/s1",138.58189,59.87386,
5293,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C:2]1([C:4](=[O:5])[H:10])[C:3]([H:8])([H:9])[C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c5-3-4(6)1-2-4/h3,6H,1-2H2",66.24678,-30.45172,
5294,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C@:2]1([C:6]([O:5][H:10])([H:11])[H:12])[C:3]([H:8])([H:9])[C:4]1)[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c5-3-4(6)1-2-4/h5-6H,1,3H2/t4-/m1/s1",72.80623,59.50637,
5295,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C@:2]1([C:3]([H:8])([H:9])[H:10])[C-:4]=[O+:5][C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-4(5)2-6-3-4/h5H,2H2,1H3/t4-/m0/s1",51.790420000000005,24.62047,
5296,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C@@:2]1([H:10])[C:3]([H:8])([H:9])[C-:4]=[O+:5][C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h4-5H,1,3H2/t4-/m0/s1",54.69964,6.1489,
5297,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C:2][C:6]([O:5][C:4](=[C:3]([H:8])[H:9])[H:10])([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-2-6-4-3-5/h2,5H,1,4H2",50.85542,27.63413,
5298,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C:2]1=[C:3]([H:9])[C:4]([H:8])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1,5H,2-3H2",60.1139,-32.86146,
5299,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C@:2]1([H:9])[C:3]([H:8])=[C:4]([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-2,4-5H,3H2/t4-/m1/s1",64.80436999999999,-34.44945,
5300,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C:2][C:3]([C@@:4]1([H:10])[O:5][C:6]1([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h4-5H,1,3H2/t4-/m1/s1",59.45156,30.265620000000002,
5301,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]=[C:2]1[C@:4]([C:3]([H:7])([H:8])[H:9])([H:10])[O:5][C:6]1([H:11])[H:12],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1",61.626259999999995,-30.26238,
5302,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[C:6]([O+:5]=[C-:4][H:10])([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-4(5)3-6-2/h2,5H,1,3H2",54.35495,28.16115,
5303,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C@:2]1([H:11])[C:3]([H:8])([H:9])[C@:4]1([O+:5]=[C-:6][H:12])[H:10])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-6-4-2-3(4)5/h1,3-5H,2H2/t3-,4-/m1/s1",82.52114,44.317209999999996,
5304,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C@:2]1([H:9])[C@:4]([C:3][H:8])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h1,3-5H,2H2/t3-,4+/m1/s1",64.80008000000001,62.404340000000005,
5305,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:1]([N+:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])([H:8])[H:10])([H:7])[H:9],"InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)","InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1,4H2,2H3,(H,5,6)",91.51234000000001,71.35197,
5306,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:1]([N:2]([C+:3]([O:4][H:8])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])[H:9],"InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)","InChI=1S/C3H8N2O/c1-4-3(6)5-2/h4-6H,1H2,2H3",77.7986,77.37154,
5307,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3](=[O:4])[H:12])[H:10])([H:7])([H:8])[H:9].[N:5](=[C:6]([H:13])[H:14])[H:11],"InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)","InChI=1S/C2H5NO.CH3N/c1-3-2-4;1-2/h2H,1H3,(H,3,4);2H,1H2",106.78331999999999,30.18285,
5308,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2](/[C:3]([O:4][H:11])=[N:5]\[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)","InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)",42.76635,15.0847,ketoenol
5309,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C-:3]=[O+:4][C:6]([N:5]([H:11])[H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)","InChI=1S/C3H8N2O/c1-5-3-6-2-4/h5H,2,4H2,1H3",91.73153,54.6461,
5310,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([H:10])[H:11])([H:7])([H:8])[H:9].[C:3](=[O:4])=[N:5][C:6]([H:12])([H:13])[H:14],"InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)","InChI=1S/C2H3NO.CH5N/c1-3-2-4;1-2/h1H3;2H2,1H3",45.66857,21.726589999999998,
5311,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2](/[C:3]([O:4][C:6]([H:12])([H:13])[H:14])=[N:5]\[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)","InChI=1S/C3H8N2O/c1-5-3(4)6-2/h1-2H3,(H2,4,5)",78.83317,19.951529999999998,ketoenol
5312,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C@:5]([C:4](=[C:3]([H:11])[H:12])[H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3","InChI=1S/C6H10/c1-3-6-4-5(6)2/h3,5-6H,1,4H2,2H3/t5-,6-/m0/s1",84.19546,21.35393,
5313,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:12])=[C:4]([H:13])[C:5]([H:14])=[C:6]1[H:16])([H:7])([H:8])[H:9].[H:11][H:15],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3","InChI=1S/C6H8.H2/c1-6-4-2-3-5-6;/h2-6H,1H3;1H",60.35941999999999,25.37656,
5314,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:6]([C:5](=[C:4]=[C:3]([H:11])[H:12])[H:14])([H:15])[H:16])([H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3","InChI=1S/C6H10/c1-3-5-6-4-2/h5H,1,4,6H2,2H3",132.8445,25.67896,
5315,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:6](/[C:5](=[C:4](\[C:3][H:11])[H:13])[H:14])([H:15])[H:16])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3","InChI=1S/C6H10/c1-3-5-6-4-2/h1,3,5H,4,6H2,2H3/b5-3-",91.18016,89.78576,
5316,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:3]([H:11])([H:12])[C:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3","InChI=1S/C6H10/c1-6-4-2-3-5-6/h6H,2,4-5H2,1H3/t6-/m0/s1",67.49363000000001,66.15845,Singlet_Carbene_Intra_Disproportionation
5317,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4][C:5]([O:6][H:12])([H:13])[H:14])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c5-3-1-2-4-6/h5-6H,1,3-4H2",71.17468000000001,55.90101,
5318,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])([H:10])[H:11].[O:1]([C:2][H:9])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C3H6O.CH2O/c1-3-2-4-3;1-2/h3H,2H2,1H3;1-2H/t3-;/m0./s1",84.95265,74.0367,
5319,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([O:6][C:5]([C:4][H:12])([H:13])[H:14])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h1,5H,2-4H2",112.70568,80.21898,
5320,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]([H:8])[H:9].[O:1]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C3H6O2.CH2/c4-1-3-2-5-3;/h3-4H,1-2H2;1H2/t3-;/m0./s1",126.30453999999999,111.87216000000001,
5321,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[C:4]([C:5]([O:6][H:7])([H:13])[H:14])[H:12])([H:10])[H:11].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2,4H,1,3H2;1H2",44.88213,9.48444,
5322,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[H:12][H:14].[O:1]([C:2]([C:3]([C:4](=[C+:5][H:13])[O-:6])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O2.H2/c1-4(6)2-3-5;/h1,5H,2-3H2;1H",118.20296,75.40916999999999,
5323,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C-:4]1=[O+:6][C:5]1([H:13])[H:14].[C:2](=[C:3]([H:10])[H:11])([H:8])[H:9].[O:1]([H:7])[H:12],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1",InChI=1S/C2H2O.C2H4.H2O/c1-2-3-1;1-2;/h1H2;1-2H2;1H2,98.86657,71.98358,
5324,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])[H:9].[O:1]([H:7])[H:8],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O.H2O/c1-2-4-3-5-4;/h1,4H,2-3H2;1H2/t4-;/m0./s1",79.98501999999999,89.56814,
5325,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4]([O+:6]=[C-:5][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h1,5H,2-4H2",78.04699000000001,48.18006,
5326,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C:4](=[C:5]([H:13])[H:14])([O:6][H:8])[H:12].[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/2C2H4O/c2*1-2-3/h2*2-3H,1H2",84.77931,5.36745,
5327,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C@@:5]1([H:14])[O:6]2.[O:1]([H:7])[H:13],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O.H2O/c1-2-4-3(1)5-4;/h3-4H,1-2H2;1H2/t3-,4+;",99.21023000000001,17.40766,
5328,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4](=[O+:6][C-:5]([H:13])[H:14])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h4-5H,1-3H2",67.8618,53.99885,
5329,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C:4]1([H:7])([H:12])[C:5]([H:13])([H:14])[O:6]1.[O:1]=[C:2]([C:3]([H:9])([H:10])[H:11])[H:8],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/2C2H4O/c1-2-3-1;1-2-3/h1-2H2;2H,1H3",104.1962,11.781889999999999,
5330,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C:2](=[C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O.H2O/c1-2-4-3-5-4;/h2,4H,1,3H2;1H2/t4-;/m0./s1",67.02261,11.61242,"1,3_Insertion_ROR"
5331,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[H:10][H:12].[O:1]([C:2](/[C:3](=[C:4]1/[C:5]([H:13])([H:14])[O:6]1)[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O2.H2/c5-2-1-4-3-6-4;/h1,5H,2-3H2;1H/b4-1-;",117.0013,36.19543,
5332,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C@@:4]([O:6][H:7])([H:12])[C:5]1([H:13])[H:14],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1",62.082409999999996,-17.84706,
5333,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C@@:4]([C:5][H:14])([O:6][H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h1,4-6H,2-3H2/t4-/m1/s1",72.56638000000001,68.5682,
5334,[N:1]([c:2]1[n:3][o:4][n:5][n:6]1)([H:7])[H:8],[N:1]([C:2]#[N:3])([H:7])[H:8].[O:4]=[N+:5]=[N-:6],"InChI=1S/CH2N4O/c2-1-3-5-6-4-1/h(H2,2,4)",InChI=1S/CH2N2.N2O/c2-1-3;1-2-3/h2H2;,39.92722,-14.4742,
5335,[N:1]([c:2]1[n:3][o:4][n:5][n:6]1)([H:7])[H:8],[N:1](=[c:2]1[n-:3][o+:4][n:5][n:6]1[H:8])[H:7],"InChI=1S/CH2N4O/c2-1-3-5-6-4-1/h(H2,2,4)","InChI=1S/CH2N4O/c2-1-3-5-6-4-1/h(H2,2,3)",71.00855,36.888659999999994,
5336,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])=[C:4]([O:5][H:11])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h2-3,5H,1H3/t3-/m0/s1",88.38868000000001,32.65188,ketoenol
5337,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O:6])[H:10])([H:7])([H:8])[H:9].[C:3](=[C:4]=[O:5])([H:11])[H:12],"InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C2H4O.C2H2O/c2*1-2-3/h2H,1H3;1H2",55.7337,25.584970000000002,2+2_cycloaddition
5338,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[C:4]=[O:5])[H:11])([O:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-4(6)2-3-5/h2,4,6H,1H3/t4-/m0/s1",81.39958,17.99771,
5339,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4](=[O:5])=[O:6],"InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6.CO2/c1-3-2;2-1-3/h3H,1H2,2H3;",39.49443,-12.13687,2+2_cycloaddition
5340,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2][H:10])([H:7])([H:8])[H:9].[C:3]1([H:11])([H:12])[C:4](=[O:5])[O:6]1,"InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C2H2O2.C2H4/c3-2-1-4-2;1-2/h1H2;1H,2H3",131.95664,125.19264,
5341,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[O:6]1)([H:7])([H:8])[H:9],[C-:4]#[O+:5].[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O.CO/c1-3-2-4-3;1-2/h3H,2H2,1H3;/t3-;/m0./s1",96.90756,29.34153,
5342,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2]#[O+:3].[C:1]([N:6]=[C:5]=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C3H5N.CO/c1-3-4-2;1-2/h1H2,2H3;",105.49016999999999,32.14911,
5343,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@:2]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[O:3]1,"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m1/s1",98.35432,28.059420000000003,
5344,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:4]([C:2](=[O:3])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3",107.23983,8.46641,
5345,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:5]#[N:6])=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4(2)6-3-5/h1H2,2H3",86.00451,27.04648,ketoenol
5346,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:4]([C:2](=[O:3])[H:10])([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1",93.69545,8.2435,
5347,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:5]#[N:6])[O:3][C:4]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m0/s1",104.7678,27.9468,
5348,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][N+:6]#[C-:5])=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4(2)6-5-3/h1H2,2H3",113.6212,85.41256,
5349,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:10])=[C:4](\[C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4(6)2-3-5/h2,6H,1H3/b4-2+",56.79671,3.7562699999999998,ketoenol
5350,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[N:6]=[C:5]=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-3-5-4(2)6/h1H2,2H3",65.80219,19.80131,
5351,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:7])[H:9].[C:4](=[C:5]=[N:6][H:8])([H:10])[H:11],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C2H3N.C2H2O/c2*1-2-3/h3H,1H2;1H2",69.17876,44.19891,Retroene
5352,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([N+:6]#[C-:5])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4(6)3-5-2/h3H2,1H3",60.169880000000006,23.13638,
5353,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]([C:2][C:3]([C:4]([C:5](=[O:6])[H:12])([H:8])[H:11])([H:9])[H:10])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h3,6H,1-2H2",55.46346,35.99945,
5354,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[C:2]1([H:8])=[C:4]([H:11])[C:3]1([H:9])[H:10].[O:1]([C:5](=[O:6])[H:12])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C3H4.CH2O2/c1-2-3-1;2-1-3/h1-2H,3H2;1H,(H,2,3)",81.19174,32.33122,
5355,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:6][C:5]([H:12])=[C:4]1[H:11])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-2,4-5H,3H2/t4-/m1/s1",52.50759,-6.66201,ketoenol
5356,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])/[C:4]1=[C:5](\[O:6][H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2,4-6H,1H2/b3-2+/t4-/m0/s1",69.95146,18.42172,ketoenol
5357,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:5]2([H:12])[C@:4]1([H:11])[O:6]2)[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3-,4+/m0/s1",77.77784,22.95917,
5358,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[O:6]1)[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1,3-5H,2H2/t4-/m1/s1",38.250659999999996,-12.9491,ketoenol
5359,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1](/[C:2](=[C:4](/[C:3]([H:9])([H:10])[H:11])[C:5](=[O:6])[H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-3,5H,1H3/b4-2-",60.88309,-13.53517,
5360,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]([C:2][C@@:4]([C:3]([H:8])([H:9])[H:10])([C:5](=[O:6])[H:12])[H:11])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c1-4(2-5)3-6/h2,4,6H,1H3/t4-/m0/s1",64.05306999999999,38.55075,
5361,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:12])([C:4](=[C:5]=[O:6])[H:11])[H:8])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c1-4(6)2-3-5/h2,4,6H,1H3/t4-/m0/s1",62.90053,-8.533719999999999,
5362,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1](/[C:2](=[C:4](\[C:3]([O+:6]=[C-:5][H:12])([H:9])[H:10])[H:11])[H:8])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c1-6-4-2-3-5/h1-3,5H,4H2/b3-2-",100.49948,57.806340000000006,
5363,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]1[C@@:2]2([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C@@:5]1([O:6][H:7])[H:12],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-4-2-1-3(2)6-4/h2-5H,1H2/t2-,3+,4-/m1/s1",53.53612,18.63683,
5364,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H4O2.H2/c5-2-3-1-4(3)6;/h2-3H,1H2;1H/t3-;/m0./s1",92.38686,29.6473,
5365,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[C:2]1([H:8])=[C:3]([H:9])[C:4]1([C:5](=[O:6])[H:12])[H:11].[O:1]([H:7])[H:10],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1",InChI=1S/C4H4O.H2O/c5-3-4-1-2-4;/h1-4H;1H2,79.67293000000001,33.70507,
5366,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[H:11][H:12].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]1=[C:5]=[O:6])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H4O2.H2/c5-2-3-1-4(3)6;/h4,6H,1H2;1H/t4-;/m0./s1",90.78477,37.31415,
5367,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:7])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2",49.24373,-13.942070000000001,
5368,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C@@:5]([C:4](=[C:3]([H:9])[H:10])[H:11])([H:12])[O:6]1)[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c1-2-3-4(5)6-3/h2-5H,1H2/t3-,4+/m0/s1",78.33943000000001,10.14292,
5369,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[C:2]1[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11].[O:1]([H:7])[H:8],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H4O.H2O/c5-3-4-1-2-4;/h3-4H,1H2;1H2/t4-;/m1./s1",82.28641999999999,82.83722,
5370,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]([C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])[H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C5H8O/c1-2-3-4-5-6/h3,6H,1,4-5H2",83.12912,3.7131199999999995,
5371,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][O:6][H:14])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C3H4O.C2H4/c1-2-3-4;1-2/h4H,1H3;1-2H2",90.49727,31.938109999999998,
5372,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]/[C:3](=[C:4](/[C:5]([O:6][H:14])([H:12])[H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C5H8O/c1-2-3-4-5-6/h3-4,6H,5H2,1H3/b4-3+",82.07970999999999,57.26501999999999,
5373,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3]1\[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h2H,3-4H2,1H3/b5-2+",75.08238,-3.56411,
5374,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:14])[C:4]1([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:12])[H:13],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C4H6.CH2O/c1-4-2-3-4;1-2/h2H,3H2,1H3;1H2",76.68784000000001,38.07622,
5375,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([H:10])[H:11])[H:14])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:12])[H:13],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C4H6.CH2O/c1-3-4-2;1-2/h4H,1H2,2H3;1H2",44.21743,19.65793,Retroene
5376,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C5H8O/c1-5(2)3-4-6/h6H,3-4H2,1H3",56.78723000000001,55.074940000000005,
5377,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]=[C:4]([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:8])[H:9].[H:7][H:10],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C5H6O.H2/c1-2-3-4-5-6;/h4,6H,1,5H2;1H",85.81090999999999,41.89542,
5378,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([C:5]([O:6][H:14])([H:12])[H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,4,6H,5H2,1H3",83.12368000000001,3.32415,
5379,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]1[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[O:6][H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h6H,2-3H2,1H3",81.34585,2.26805,
5380,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[N:6]([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[H:14])([H:7])([H:8])[H:9].[C:4](=[O:5])=[N:6][H:13],"InChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)","InChI=1S/C2H7N.CHNO/c1-3-2;2-1-3/h3H,1-2H3;2H",43.54094,20.14259,
5381,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[N:6]([H:13])[H:14])([H:7])([H:8])[H:9],[C-:1]([N+:2]([C:3]([H:10])([H:11])[H:12])([C:4](=[O:5])[N:6]([H:13])[H:14])[H:9])([H:7])[H:8],"InChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)","InChI=1S/C3H8N2O/c1-5(2)3(4)6/h5H,1H2,2H3,(H2,4,6)",86.37869,70.24157,
5382,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[N:6]([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:4](/[O:5][C:3]([H:10])([H:11])[H:12])[N:6]([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)","InChI=1S/C3H8N2O/c1-5-3(4)6-2/h1-2H3,(H2,4,5)",76.61418,18.47968,ketoenol
5383,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[N:6]([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:4]=[O:5])([H:7])([H:8])[H:9].[C:3]([N:6]([H:13])[H:14])([H:10])([H:11])[H:12],"InChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)","InChI=1S/C2H3NO.CH5N/c1-3-2-4;1-2/h1H3;2H2,1H3",92.81784,21.75927,
5384,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[N:6]([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])/[C:4]([O:5][H:13])=[N:6]\[H:14])([H:7])([H:8])[H:9],"InChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)","InChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)",42.41646,14.47667,ketoenol
5385,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([C@:2]1([H:9])[C+:3]=[C:4]([H:10])[N-:5][N:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h2-3,6H,4H2/t3-/m0/s1",80.35008,82.2354,Singlet_Carbene_Intra_Disproportionation
5386,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[C:4](#[N+:5][N-:6][H:11])[H:10].[N:1]([C:2]#[C:3][H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C2H3N.CH2N2/c1-2-3;1-3-2/h1H,3H2;1-2H",115.67791000000001,102.66351,
5387,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[C@:4]1(/[N:5]=[N:6]/[H:11])[H:10])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-2-1-3(2)6-5/h1,3,5H,4H2/b6-5+/t3-/m1/s1",97.41503,72.00193,
5388,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([C:2]([C:3](=[C:4]=[N:5][H:10])[H:9])=[N:6][H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-2-1-3(5)6/h1,4H,(H3,5,6)",80.61166999999999,12.4233,
5389,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C+:3][C:4]([H:9])([H:10])[N-:5][N:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h6H,2,4H2",82.47563000000001,81.44089,
5390,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N+:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n-:5][n:6]1)([H:7])([H:8])[H:11],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H4N3/c4-3-1-2-5-6-3/h1-2H,(H2-,4,5,6)/q-1/p+1",54.8329,42.2867,
5391,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([C@@:2]1([H:11])[C:3]([H:9])=[C:4]([H:10])[N:5]=[N:6]1)([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-3H,4H2/t3-/m1/s1",53.18028,36.19514,
5392,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1](=[C:2]1[C:3]([H:9])=[C:4]([H:10])[N-:5][N+:6]1([H:8])[H:11])[H:7],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2,4H,6H2",74.03001,41.6856,
5393,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([c+:2]1[c:3]([H:9])[c-:4][n:5]([H:10])[n:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1,5-6H,4H2",74.19311,48.718709999999994,
5394,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([C:2][N:6]([N:5]1[C:3]([H:9])=[C:4]1[H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-5-6-1-2-6/h1-2,5H,4H2",147.23549,116.50578,
5395,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])=[N:5]1)=[N:6][H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3(5)2-1-6-2/h1-2H,(H3,4,5)/t2-/m1/s1",88.24243,33.63156,
5396,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])=[N:5][N:6]1[H:11])\[H:7],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h2H,1H2,(H2,4,6)",77.59238,13.56962,
5397,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([C:2](=[C:3]([H:9])[H:10])[N:6]([N+:5]#[C-:4])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c1-3(4)6-5-2/h6H,1,4H2",83.10632,52.5717,
5398,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([C:2](=[C:3]=[C:4](/[N:5]=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-2-1-3-6-5/h2-3,5H,4H2/b6-5+",80.3508,63.606680000000004,
5399,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5]([H:11])[n:6]1)([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)",43.91545,-2.59062,
5400,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1](=[c:2]1\[c:3]([H:9])[c:4]([H:10])[n:5]([H:8])[n:6]1[H:11])\[H:7],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)",112.19521999999999,19.92221,
5401,[C:1]([C@@:2]1([H:10])[O:3][C:4]1([C:5]([H:11])([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]1=[C:5]([H:11])[H:12])([H:7])([H:8])[H:9].[C:6]([H:13])([H:14])([H:15])[H:16],"InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3/t4-/m1/s1","InChI=1S/C4H6O.CH4/c1-3-4(2)5-3;/h4H,1H2,2H3;1H4/t4-;/m1./s1",120.6846,26.64467,
5402,[C:1]([C@@:2]1([H:10])[O:3][C:4]1([C:5]([H:11])([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3/t4-/m1/s1","InChI=1S/C5H10O/c1-4-6-5(2)3/h5H,1-3H3",75.89149,37.876529999999995,
5403,[C:1]([C@@:2]1([H:10])[O:3][C:4]1([C:5]([H:11])([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][C:5]([H:11])([H:12])[H:13])([C:4][C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3/t4-/m1/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h5H,1-3H3/t5-/m1/s1",115.91898,82.15183,
5404,[C:1]([C@@:2]1([H:10])[O:3][C:4]1([C:5]([H:11])([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:3][C:4]([C:2][H:10])([C:5]([H:11])([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3/t4-/m1/s1","InChI=1S/C5H10O/c1-5(2,3)6-4/h1H,2-4H3",115.58505,82.56815,
5405,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[O:5]1)=[C:6]([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H8O/c1-4(2)5-3-6-5/h5H,1,3H2,2H3/t5-/m1/s1",81.41103000000001,18.65415,
5406,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C:4]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[O:5]=[C:6]([H:13])[H:14],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3",InChI=1S/C4H6.CH2O/c1-3-4-2;1-2/h1-2H3;1H2,106.25263999999999,32.3987,
5407,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:4][H:11])[H:10])[C:6]([O:5][H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H8O/c1-3-5(2)4-6/h1,3,6H,4H2,2H3/b5-3-",78.32909000000001,74.54963000000001,
5408,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:6]([O:5][C:4]([C:3](=[C:2])[H:10])([H:11])[H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H8O/c1-3-5-6-4-2/h3H,4-5H2,2H3",134.42504,82.84985,
5409,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C-:2]1[C:3]([H:10])=[C:4]=[O+:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H6O.H2/c1-5-2-3-6-4-5;/h2H,4H2,1H3;1H",79.83051,59.79509,
5410,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O+:5]=[C-:6]1)([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H6O.H2/c1-5-2-3-6-4-5;/h2H,3H2,1H3;1H",79.61775,60.34926,
5411,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]=[C:4]([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H6O.H2/c1-5-2-3-6-4-5;/h3H,4H2,1H3;1H",100.34105,73.39004,
5412,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h5H,3-4H2,1H3/t5-/m0/s1",64.91366,66.32451999999999,Singlet_Carbene_Intra_Disproportionation
5413,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[C:4]([H:11])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9].[H:7][H:12],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H6O.H2/c1-5-2-3-6-4-5;/h2-3H,1,4H2;1H",88.00321,24.03495,
5414,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[C:6][H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:4][H:13])=[C:5]=[C:6]([H:12])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O/c1-3-5(6)4-2/h6H,1,4H2,2H3",69.22075,-5.92239,
5415,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[C:6][H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3]([O:4][H:13])(=[C:5]=[C:6]([H:7])[H:14])[H:12],"InChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3/t5-/m0/s1","InChI=1S/C3H4O.C2H4/c1-2-3-4;1-2/h3-4H,1H2;1-2H2",57.336859999999994,22.62363,Retroene
5416,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[C:6][H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](#[C:6][H:14])[H:13],"InChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3/t5-/m0/s1","InChI=1S/C3H6O.C2H2/c1-2-3-4;1-2/h3H,2H2,1H3;1-2H",72.53976,12.75654,
5417,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[C:6][H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:5]=[C:6]([O:4][H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h3,5-6H,2H2,1H3",66.84227,-0.59116,
5418,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O+:4]=[C-:5][O:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3","InChI=1S/C4H8O2/c1-4(2)6-3-5/h4-5H,1-2H3",76.64197,43.7413,
5419,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:3]([C:2](=[O:4])[H:10])([H:11])[H:13])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:12])[H:14],"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h3H,2H2,1H3;1H2",118.0966,33.26292,
5420,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:3]([H:11])([H:13])[O:4]1)([H:7])([H:8])[H:9].[C:5](=[O:6])([H:12])[H:14],"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3","InChI=1S/C3H6O.CH2O/c1-3-2-4-3;1-2/h3H,2H2,1H3;1H2/t3-;/m1./s1",117.78691,54.10335,
5421,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:13])[O:4][C:5](=[O:6])[H:14])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3","InChI=1S/C4H6O2.H2/c1-4(2)6-3-5;/h3H,1H2,2H3;1H",116.93008,31.80325,
5422,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3","InChI=1S/C3H8O.CO/c1-3(2)4;1-2/h3-4H,1-2H3;",70.35818,11.17325,"1,2_Insertion_CO"
5423,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:4][C:5](=[O:6])[H:14])([H:7])([H:8])[H:9].[C:2]([C:3]([H:11])([H:12])[H:13])[H:10],"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3","InChI=1S/C2H4O2.C2H4/c1-4-2-3;1-2/h2H,1H3;1H,2H3",135.31974,110.06643000000001,
5424,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[H:10])([H:8])[H:9].[O:4]=[C:5]([O:6][H:7])[H:14],"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3","InChI=1S/C3H6.CH2O2/c1-3-2;2-1-3/h3H,1H2,2H3;1H,(H,2,3)",46.06026,16.35606,Retroene
5425,[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5][H:15])[H:10])([H:7])([H:8])[H:9].[O:6]([H:14])[H:16],"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3","InChI=1S/C4H8O.H2O/c1-4(2)3-5;/h1,4-5H,3H2,2H3;1H2/t4-;/m1./s1",83.13762,19.46659,
5426,[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([O:4][H:13])([H:11])[H:12])[C:5]([O:6][H:16])([H:14])[H:15])([H:8])[H:9].[H:7][H:10],"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3","InChI=1S/C4H8O2.H2/c1-4(2-5)3-6;/h5-6H,1-3H2;1H",112.99914,31.68423,
5427,[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[O:6][C:5]1([H:14])[H:15])([H:7])([H:8])[H:9].[O:4]([H:13])[H:16],"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3","InChI=1S/C4H8O.H2O/c1-4-2-5-3-4;/h4H,2-3H2,1H3;1H2",79.92137,21.6551,
5428,[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]([C:3](=[O:4])[H:11])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9].[H:12][H:13],"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3","InChI=1S/C4H8O2.H2/c1-4(2-5)3-6;/h2,4,6H,3H2,1H3;1H/t4-;/m1./s1",81.96131,16.72815,
5429,[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([C:5]([O:6][H:16])([H:14])[H:15])([H:10])[C:3]1([H:11])[H:12].[O:4]([H:7])[H:13],"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3","InChI=1S/C4H8O.H2O/c5-3-4-1-2-4;/h4-5H,1-3H2;1H2",97.49240999999999,18.22616,
5430,[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9].[O:4]([H:10])[H:13],"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3","InChI=1S/C4H8O.H2O/c1-4(2)3-5;/h5H,1,3H2,2H3;1H2",68.80945,9.94559,"1,3_Insertion_ROR"
5431,[N:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:9])[H:10])([H:7])[H:8],[N+:1](=[C-:2][O:3][C:4](=[O:5])[N:6]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)","InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h3H2,(H2,4,5)",72.34586,46.707390000000004,
5432,[N:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])/[C:4]([O:5][H:9])=[N:6]\[H:10])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)","InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)",49.574490000000004,15.10716,ketoenol
5433,[N:1]([C:2](=[O:3])[H:6])([H:4])[H:5],[H:5][H:6].[N:1](=[C:2]=[O:3])[H:4],"InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)",InChI=1S/CHNO.H2/c2-1-3;/h2H;1H,79.16068,15.66893,
5434,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([O:4]/[C:3](=[N:2]/[H:10])[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)","InChI=1S/C3H5NO2/c1-6-3(4)2-5/h2,4H,1H3/b4-3+",77.87983,17.18704,ketoenol
5435,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C-:3]=[O+:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)","InChI=1S/C3H5NO2/c1-4-2-6-3-5/h3-4H,1H3",54.22923,39.7049,
5436,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[N:2](=[C:3]=[O:4])[C:5](=[O:6])[H:11],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)",InChI=1S/C2HNO2.CH4/c4-1-3-2-5;/h1H;1H4,92.57726,0.13253,
5437,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C+:1]([N:2]([C:3]([O-:4])=[C:5]([O:6][H:7])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)","InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2,4H,1H2,(H-,5,6)",92.01366999999999,52.16466,
5438,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3](=[O:4])[O+:6]=[C-:5][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)","InChI=1S/C3H5NO2/c1-4-3(5)6-2/h2H,1H3,(H,4,5)",81.14712,60.65943000000001,
5439,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C-:5]#[O+:6].[C:1]([N:2]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)","InChI=1S/CH5N.2CO/c3*1-2/h2H2,1H3;;",78.4771,14.170020000000001,
5440,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([N:2]([C:3](=[O:4])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)","InChI=1S/C2H5NO.CO/c1-3-2-4;1-2/h2H,1H3,(H,3,4);",83.60435,-0.028489999999999998,"1,2_Insertion_CO"
5441,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[O:4])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:11],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)",InChI=1S/C2H3NO.CH2O/c1-3-2-4;1-2/h1H3;1H2,86.22594000000001,18.8359,
5442,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N:3](=[C:4](/[C:5]([H:9])([H:10])[H:11])[H:8])\[H:7].[O:1]=[C:2]=[O:6],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C2H5N.CO2/c1-2-3;2-1-3/h2-3H,1H3;/b3-2+;",71.14661,-1.8422900000000002,
5443,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]=[C:2]([N:3]([C:4](=[C:5]([H:10])[H:11])[H:9])[H:7])[O:6][H:8],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c1-2-4-3(5)6/h2,4H,1H2,(H,5,6)",79.42345999999999,7.84501,
5444,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[H:10][H:11].[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C-:5]=[O+:6]1,"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H3NO2.H2/c5-3-4-1-2-6-3;/h1H2,(H,4,5);1H",88.17126999999999,69.85377,
5445,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[H:8][H:9].[O:1]=[C:2]1[N+:3]([H:7])=[C-:4][C:5]([H:10])([H:11])[O:6]1,"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H3NO2.H2/c5-3-4-1-2-6-3;/h4H,2H2;1H",81.5558,56.51375,
5446,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]1[C:2](=[N:3][H:7])[O:6][C:5]([H:10])([H:11])[C:4]1([H:8])[H:9],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2",124.61996,20.36915,ketoenol
5447,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]([C:2]1=[N:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)",54.992740000000005,14.910839999999999,ketoenol
5448,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11].[O:1]=[C:2]=[O:6],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C2H5N.CO2/c1-2-3-1;2-1-3/h3H,1-2H2;",76.46422,19.195510000000002,
5449,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[H:7][H:11].[O:1]=[C:2]=[N:3][C:4]([C:5](=[O:6])[H:10])([H:8])[H:9],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H3NO2.H2/c5-2-1-4-3-6;/h2H,1H2;1H",90.69641,31.25935,
5450,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]([C@@:2]12[N:3]([H:7])[C:4]([H:8])([H:9])[C@:5]1([H:11])[O:6]2)[H:10],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c5-3-2(6-3)1-4-3/h2,4-5H,1H2/t2-,3-/m0/s1",127.56958999999999,61.797869999999996,
5451,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[C:5](=[O:6])([H:10])[H:11].[N:3](=[C:4]([H:8])[H:9])[H:7].[O+:1]#[C-:2],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/CH3N.CH2O.CO/c3*1-2/h2H,1H2;1H2;",99.56121999999999,53.01624,
5452,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[C:5](=[O:6])([H:10])[H:11].[O:1]=[C:2]1[N:3]([H:7])[C:4]1([H:8])[H:9],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C2H3NO.CH2O/c4-2-1-3-2;1-2/h1H2,(H,3,4);1H2",105.7236,66.26491,
5453,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]=[C:2]=[N:3][C:4]([C:5]([O:6][H:7])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h5H,1-2H2",80.14513000000001,13.3227,
5454,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]([C@:2]12[N:3]([H:7])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]2)[H:8],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c5-3-2(4-3)1-6-3/h2,4-5H,1H2/t2-,3+/m0/s1",126.32143,67.99828000000001,
5455,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]=[C:2]([O:6][C:5](/[C:4](=[N:3]/[H:7])[H:8])([H:10])[H:11])[H:9],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c4-1-2-6-3-5/h1,3-4H,2H2/b4-1+",102.03036999999999,27.39735,
5456,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[C:4]1([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1.[O:1]=[C:2]=[N:3][H:7],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)",InChI=1S/C2H4O.CHNO/c1-2-3-1;2-1-3/h1-2H2;2H,100.04725,39.7263,
5457,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O-:1][C-:2]1[N+:3]([H:7])([H:11])[C:4]([H:8])([H:9])[C:5]([H:10])=[O+:6]1,"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h2H,1,4H2",85.96395,83.12214,
5458,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]=[C:2]([N:3]([C:4]([H:8])([H:9])[H:11])[H:7])[O+:6]=[C-:5][H:10],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c1-4-3(5)6-2/h2H,1H3,(H,4,5)",91.29484000000001,72.58885,
5459,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]([C:2]1=[O+:6][C:5]([H:10])([H:11])[C-:4]([H:8])[N:3]1[H:7])[H:9],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1,4-5H,2H2",120.22008999999998,76.8939,
5460,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]=[C:2]([N+:3](=[C-:4][H:9])[H:7])[O:6][C:5]([H:8])([H:10])[H:11],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c1-4-3(5)6-2/h1,4H,2H3",91.13877,69.01733,
5461,[C:1]([O:2][C:3](=[O:4])[H:8])([H:5])([H:6])[H:7],[C-:3]#[O+:4].[C:1]([O:2][H:8])([H:5])([H:6])[H:7],"InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3","InChI=1S/CH4O.CO/c2*1-2/h2H,1H3;",70.55726,11.78946,"1,2_Insertion_CO"
5462,[O:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2](=[C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2","InChI=1S/C4H8O.H2O/c1-2-3-4-5;/h2,5H,1,3-4H2;1H2",68.34179,13.4817,"1,3_Insertion_ROR"
5463,[O:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]([H:8])[H:9].[O:1]([C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])[H:7],"InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2","InChI=1S/C3H8O2.CH2/c4-2-1-3-5;/h4-5H,1-3H2;1H2",127.15347,111.93453000000001,
5464,[O:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3]([C:4]([C:5]([O:6][H:7])([H:14])[H:15])([H:12])[H:13])([H:10])([H:11])[H:16].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2","InChI=1S/C3H8O.CH2O/c1-2-3-4;1-2/h4H,2-3H2,1H3;1H2",74.5029,17.48633,
5465,[O:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13].[O:1]([C:2]([C:3]([O:6][H:16])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2","InChI=1S/C2H6O2.C2H4/c3-1-2-4;1-2/h3-4H,1-2H2;1-2H2",110.90999,24.06385,"1,3_Insertion_ROR"
5466,[O:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15].[O:6]([H:7])[H:16],"InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2",InChI=1S/C4H8O.H2O/c1-2-4-5-3-1;/h1-4H2;1H2,69.28142,4.5608699999999995,
5467,[C:1]([N:2]([C:3](=[O:4])[C:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],[C-:1]([N:2]([C:3]([O:4][H:8])=[C:5]=[C+:6][H:11])[H:10])([H:7])[H:9],"InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)","InChI=1S/C4H5NO/c1-3-4(6)5-2/h1,5-6H,2H2",57.5075,55.93654,
5468,[C:1]([N:2]([C:3](=[O:4])[C:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]#[C:5][C:6](=[O:4])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)","InChI=1S/C4H5NO/c1-5-3-2-4-6/h4-5H,1H3",80.40419,16.57079,
5469,[C:1]([N:2]([C:3](=[O:4])[C:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[N:2]([H:10])[C:3](=[O:4])[C:5]1=[C:6]([H:8])[H:11],"InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)","InChI=1S/C4H5NO/c1-3-2-5-4(3)6/h1-2H2,(H,5,6)",86.09806999999999,-12.88727,
5470,[C:1]([N:2]([C:3](=[O:4])[C:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[N:2][H:10])([H:7])[H:9].[C:3](=[O:4])=[C:5]=[C:6]([H:8])[H:11],"InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)","InChI=1S/C3H2O.CH3N/c1-2-3-4;1-2/h1H2;2H,1H2",62.088519999999995,37.54997,Retroene
5471,[C:1]([N:2]([C:3](=[O:4])[C:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([O:4]/[C:3](=[N:2]/[H:10])[C:5]#[C:6][H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)","InChI=1S/C4H5NO/c1-3-4(5)6-2/h1,5H,2H3/b5-4+",75.56509,15.80465,ketoenol
5472,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[N-:3][O+:4]=[C:5]([H:10])[N:6]1[H:9])([H:7])[H:8],"InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h2,4H,1H2",86.96205,55.34378,
5473,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:3]=[C:2]=[N:6][C:5](=[O:4])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h2H,1H3","InChI=1S/C3H4N2O/c1-4-2-5-3-6/h3H,1H3",54.20929,-3.26127,
5474,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:6]([C:2]#[N:3])[C:5](=[O:4])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h2H,1H3","InChI=1S/C3H4N2O/c1-5(2-4)3-6/h3H,1H3",80.49295,-7.65562,
5475,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[N+:3][O-:4])([H:7])([H:8])[H:9].[C:5](#[N:6])[H:10],"InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h2H,1H3",InChI=1S/C2H3NO.CHN/c1-2-3-4;1-2/h1H3;1H,70.19207,50.66489,
5476,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[n:6]1)([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[N:3]1[O:4][C:5]([H:10])=[N:6]2,"InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3-4-2-6-5(1)3/h2-3H,1H2/t3-,5?/m0/s1",108.20306000000001,47.5115,
5477,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[n:6]1)([H:7])([H:8])[H:9],[C:1]([c:2]1[n:3][o+:4][c-:5][n:6]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h1H3,(H,4,5)",73.51968000000001,29.30123,
5478,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:3][N:6]1[C:5](=[O:4])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3-4-5(3)2-6/h2H,1H3",61.76733,45.81778,ketoenol
5479,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[H:6][H:8].[O+:1]#[C:2][C@@:3]1([H:7])[C-:4]([H:9])[N:5]1[H:10],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H3NO.H2/c5-2-3-1-4-3;/h1,3-4H;1H/t3-;/m1./s1",126.80363999999999,91.7605,
5480,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O+:1](=[C-:2][H:6])[C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c1-5-3-2-4-3/h1,3-4H,2H2/t3-/m0/s1",111.7963,66.72188,
5481,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:3](=[C:4]([H:8])[H:9])([N:5]([H:6])[H:10])[H:7].[O+:1]#[C-:2],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C2H5N.CO/c1-2-3;1-2/h2H,1,3H2;",88.10654,-15.72734,
5482,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O:1]([C+:2]([C@@:3]1([H:7])[C-:4]([H:9])[N:5]1[H:10])[H:6])[H:8],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1",InChI=1S/C3H5NO/c5-2-3-1-4-3/h1-5H/t3-/m1/s1,102.58945,69.29451,
5483,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O-:1][C:2](=[C:3]1[C:4]([H:8])([H:9])[N+:5]1([H:7])[H:10])[H:6],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c5-2-3-1-4-3/h2,4-5H,1H2",60.112069999999996,38.25966,
5484,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:3](\[C:4]([H:6])([H:8])[H:9])(=[N:5]\[H:10])[H:7].[O+:1]#[C-:2],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C2H5N.CO/c1-2-3;1-2/h2-3H,1H3;/b3-2-;",86.3883,-18.103170000000002,
5485,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O-:1][C:2](=[C+:3][N:5]([C:4]([H:7])([H:8])[H:9])[H:10])[H:6],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c1-4-2-3-5/h3-4H,1H3",75.49067,22.35527,
5486,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O:1]=[C:2]([C:3]([N:5]([C:4][H:8])[H:10])([H:7])[H:9])[H:6],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c1-4-2-3-5/h1,3-4H,2H2",74.77320999999999,32.80537,
5487,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O:1]([C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c5-2-3-1-4-3/h3-5H,1H2/t3-/m1/s1",79.26403,51.48202,
5488,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O-:1][C:2](=[C:3]([N:5]([C+:4]([H:8])[H:9])[H:10])[H:7])[H:6],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c1-4-2-3-5/h2-4H,1H2",41.62701,9.81255,
5489,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O:1]1[C:2]([H:6])=[C:3]([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c1-2-4-5-3-1/h1,3-4H,2H2",69.24379,25.867539999999998,ketoenol
5490,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:4](=[N:5][H:10])([H:8])[H:9].[O-:1][C:2](=[C+:3][H:7])[H:6],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C2H2O.CH3N/c1-2-3;1-2/h1-2H;2H,1H2",85.89220999999999,88.03023,
5491,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O:1](/[C:2](=[C:3]1\[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6])[H:7],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c5-2-3-1-4-3/h2,4-5H,1H2/b3-2+",74.89004,20.5452,ketoenol
5492,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O:1]=[C:2]([C@@:3]1([H:7])[C-:4]([H:9])[N+:5]1([H:8])[H:10])[H:6],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c5-2-3-1-4-3/h1-3H,4H2/t3-/m1/s1",66.93824000000001,51.79846,
5493,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O:1]([C:2]([C@@:3]1([H:7])[C:4]([H:8])=[N:5]1)([H:6])[H:9])[H:10],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c5-2-3-1-4-3/h1,3,5H,2H2/t3-/m1/s1",82.63023000000001,19.56381,
5494,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[N:6][H:11])([H:12])[H:13],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C2H3N.C2H4O/c2*1-2-3/h3H,1H2;2H,1H3",60.69214,19.50764,Retroene
5495,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:5]1=[N:6][C:4]1([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-2-6-4-3-5-4/h2-3H2,1H3",97.01907,29.77096,
5496,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O+:3][C-:4]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:5](#[N:6])[H:11],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C3H6O.CHN/c1-3-4-2;1-2/h3H,2H2,1H3;1H",77.25823000000001,78.65858,
5497,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[O:3]([C:4]([C:5]#[N:6])([H:12])[H:13])[H:9],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C2H3NO.C2H4/c3-1-2-4;1-2/h4H,2H2;1-2H2",65.42113,17.45195,"1,3_Insertion_ROR"
5498,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[C:2](=[O+:3][C:4](=[C:5]=[N-:6])[H:12])([H:10])[H:11],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C3H3NO.CH4/c1-5-3-2-4;/h3H,1H2;1H4",89.53715,62.5576,
5499,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:3][C:2]([N:6]=[C:5]=[C:4]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-3-5-4-6-2/h1,4H2,2H3",118.19836000000001,26.44724,
5500,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([N+:6]#[C-:5])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-3-6-4-5-2/h3-4H2,1H3",51.68586,18.84005,
5501,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:12])([H:13])[C:5][N:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h4-5H,3H2,1H3/t4-/m1/s1",82.88831,31.13774,
5502,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:5]1=[N:6][C:2]([H:10])([H:11])[O:3][C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h2-3H2,1H3",106.85523,-4.8488,
5503,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:12])([H:13])/[C:5]1=[N:6]/[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-3-4(5)2-6-3/h3,5H,2H2,1H3/b5-4-/t3-/m1/s1",97.80641999999999,14.14168,
5504,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5][N:6]1[H:8],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-3-6-4-2-5-1/h5H,1,3-4H2",100.80895,39.8073,
5505,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4](=[C:5]=[N:6][H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-2-6-4-3-5/h4-5H,2H2,1H3",89.83984,26.3081,
5506,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2]([O+:3]=[C:4]([H:12])[H:13])([H:10])[H:11].[C:1]([C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3",InChI=1S/C2H3N.C2H4O/c1-2-3;1-3-2/h1H3;1-2H2,106.87651000000001,73.05346,
5507,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([O:5][C:6]([H:10])([H:13])[H:14])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3",74.64317,-12.054789999999999,
5508,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([O:3][H:10])([C:4]([O:5][H:7])([H:11])[H:12])[C:6]1([H:13])[H:14],"InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2",97.85686,-0.6410100000000001,
5509,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:6]([O:5][C:4]([C:2][O:3][H:10])([H:11])[H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-2-6-4-3-5/h5H,2,4H2,1H3",118.07056000000001,49.64301,
5510,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@:2]2([O:3][H:10])[C:4]([H:11])([H:12])[O:5][C@:6]12[H:14].[H:7][H:13],"InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3","InChI=1S/C4H6O2.H2/c5-4-1-3(4)6-2-4;/h3,5H,1-2H2;1H/t3-,4+;/m1./s1",113.06466999999999,44.7104,
5511,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:4]([O:5][H:10])([H:11])[H:12])[O:3][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m0/s1",74.32958,-0.71283,
5512,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:10])[C:6]([O:5][C:4]([H:7])([H:11])[H:12])([H:13])[H:14])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(5)3-6-2/h5H,1,3H2,2H3",91.7503,2.49776,
5513,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[C:6][H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(2,6)3-5/h1,5-6H,3H2,2H3/t4-/m0/s1",75.83827,70.05574,
5514,[C:1]([C:2]([C:3]([C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])([H:12])[H:13])[H:11])([H:7])[H:9].[H:8][H:10],"InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3","InChI=1S/C6H12.H2/c1-4-5-6(2)3;/h4,6H,1,5H2,2-3H3;1H",114.76376,29.9247,
5515,[C:1]([C:2]([C:3]([C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:6]([H:18])[H:19])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([H:15])([H:16])([H:17])[H:20],"InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3","InChI=1S/C5H10.CH4/c1-3-5-4-2;/h3H,1,4-5H2,2H3;1H4",112.06907,18.56176,
5516,[C:1]([C:2]([C:3]([C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([C:5]([H:15])([H:16])[H:17])=[C:6]([H:18])[H:19])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[H:14][H:20],"InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3","InChI=1S/C6H12.H2/c1-4-5-6(2)3;/h2,4-5H2,1,3H3;1H",108.33668999999999,28.065490000000004,
5517,[C:1]([C:2]([C:3]([C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4][C:5]([H:15])([H:16])[H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:6]([H:14])([H:18])([H:19])[H:20],"InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3","InChI=1S/C5H10.CH4/c1-3-5-4-2;/h3,5H2,1-2H3;1H4",91.65890999999999,85.70559,
5518,[C:1]([C:2](/[N:3]=[C:4](/[O:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[C:4]([O:5][C:6]([H:13])([H:14])[H:15])([H:10])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4-6-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H9NO/c1-3-5-4-6-2/h3H,4H2,1-2H3/b5-3+",77.82653,10.61103,
5519,[C:1]([C:2](/[N:3]=[C:4](/[O:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2](=[N+:3]=[C-:4][O:5][C:6]([H:13])([H:14])[H:15])([H:10])[H:11],"InChI=1S/C4H9NO/c1-3-5-4-6-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C3H5NO.CH4/c1-4-3-5-2;/h1H2,2H3;1H4",88.39415,54.2956,
5520,[C:1]([C:2](/[N:3]=[C:4](/[O:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([N:3]([C:4](=[O+:5][C:6]([H:13])([H:14])[H:15])[H:12])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4-6-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H9NO/c1-3-5-4-6-2/h3-5H,1-2H3",79.14915,50.1692,
5521,[C:1]([C:2](/[N:3]=[C:4](/[O:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[N+:3]=[C-:4][O:5][C:6]([H:13])([H:14])[H:15])[H:11])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C4H9NO/c1-3-5-4-6-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H7NO.H2/c1-3-5-4-6-2;/h3H,1-2H3;1H",77.19319,61.69619,
5522,[C:1]([C:2](/[N:3]=[C:4](/[O:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:5][C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[N:3]#[C:4][H:12],"InChI=1S/C4H9NO/c1-3-5-4-6-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C3H8O.CHN/c1-3-4-2;1-2/h3H2,1-2H3;1H",94.50785,14.763689999999999,
5523,[C:1]([C:2](/[N:3]=[C:4](/[O:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4-6-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3",57.1093,-16.48979,ketoenol
5524,[N:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:9])([H:7])[H:8],[N:1](=[c:2]1/[n:3]([H:7])[o:4][n:5][c:6]1[H:9])\[H:8],"InChI=1S/C2H3N3O/c3-2-1-4-6-5-2/h1H,(H2,3,5)","InChI=1S/C2H3N3O/c3-2-1-4-6-5-2/h1H,(H2,3,5)",68.11466,23.317510000000002,
5525,[N:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:9])([H:7])[H:8],[N:1]([C:2]#[N:3])([H:7])[H:8].[O-:4][N+:5]#[C:6][H:9],"InChI=1S/C2H3N3O/c3-2-1-4-6-5-2/h1H,(H2,3,5)",InChI=1S/CH2N2.CHNO/c2-1-3;1-2-3/h2H2;1H,58.31716,23.60291,
5526,[N:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:9])([H:7])[H:8],[N:1]([C:2]#[N+:3][O-:4])([H:7])[H:8].[N:5]#[C:6][H:9],"InChI=1S/C2H3N3O/c3-2-1-4-6-5-2/h1H,(H2,3,5)",InChI=1S/CH2N2O.CHN/c2-1-3-4;1-2/h2H2;1H,56.66445,31.76032,
5527,[N:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:9])([H:7])[H:8],[N:1]([C:2]([N:3]=[O:4])=[C:6]=[N:5][H:9])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-1-4-6-5-2/h1H,(H2,3,5)","InChI=1S/C2H3N3O/c3-1-2(4)5-6/h3H,4H2",76.26704000000001,27.686490000000003,
5528,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4][N:6]([C:5]([H:10])([H:11])[H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c1-5-3-2-4-6/h4-5H,2H2,1H3",68.81416,28.045170000000002,
5529,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c1-2-6-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1",93.15982,15.337779999999999,ketoenol
5530,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C-:5]([H:12])[N+:6]1([H:11])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2-4H,1,5H2/t4-/m0/s1",64.87012,53.71187,
5531,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:8])[H:9])[N:6]([H:7])[H:13],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c1-2-3-4(5)6/h2H,1,3H2,(H2,5,6)",95.80102,-33.14584,
5532,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[C:4]1([H:10])=[C:5]([H:12])[N:6]1[H:13].[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[H:11],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C2H3N.C2H4O/c1-2-3-1;1-2-3/h1-3H;2-3H,1H2",87.14248,71.37886999999999,Retroene
5533,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[C:3](=[C:4]1[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9].[O:1]=[C:2]([H:7])[H:10],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C3H5N.CH2O/c1-3-2-4-3;1-2/h4H,1-2H2;1H2",82.22783000000001,35.64793,
5534,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:5](/[C:4](=[N:6]/[H:13])[H:10])([H:11])[H:12],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c1-2-6-4-3-5/h2-3,5H,1,4H2/b5-3+",70.01191999999999,1.25727,
5535,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C-:4]1[C:5]([H:11])([H:12])[N+:6]1([H:10])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2H,1,3,5H2",75.67079,54.612519999999996,
5536,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4]([N:6]=[C:5]([H:11])[H:12])([H:10])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c1-5-3-2-4-6/h4H,1-3H2",67.10022,-9.121089999999999,
5537,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4]([N:6]([C:5][H:11])[H:13])([H:10])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c1-5-3-2-4-6/h1,4-5H,2-3H2",70.55274,29.88682,
5538,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[C:5](=[N:6][H:13])([H:11])[H:12].[O:1]=[C:2]([C:4](=[C:3]([H:8])[H:9])[H:10])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C3H4O.CH3N/c1-2-3-4;1-2/h2-3H,1H2;2H,1H2",86.54025,8.603819999999999,
5539,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C+:4]([N:6]([C-:5]([H:11])[H:12])[H:13])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c1-5-3-2-4-6/h3-5H,1-2H2",50.689609999999995,25.46542,
5540,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O+:1](=[C-:2][H:7])[C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c1-6-3-4-2-5-4/h1,4-5H,2-3H2/t4-/m1/s1",114.31455,65.66662,
5541,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]([C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h4-6H,1,3H2/t4-/m0/s1",80.76477,52.60547,
5542,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3](/[C:4](=[N:6]/[C:5]([H:11])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c1-5-3-2-4-6/h3-4H,2H2,1H3/b5-3+",63.58517,-12.0946,
5543,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([C+:6]([c:2]1[n-:3][n:4]([H:8])[c:5]1[H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-2-3-1-4-5-3/h1-2,4,6H",161.51678,82.75135,
5544,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)",47.955859999999994,3.77284,
5545,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([N:3]=[C:2]=[C:6]([C:5](=[N:4][H:8])[H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c4-2-1-3-5-6/h1-2,4,6H",110.89453999999999,66.57944,
5546,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]=[c:2]1[n:3]([H:7])[n:4]([H:8])[c:5]([H:9])[c:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)",50.49098,8.41859,ketoenol
5547,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([C:2]1=[N:3][N+:4]([H:8])=[C-:5][C:6]1([H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h4H,1H2,(H,5,6)",65.02898,46.03076,Singlet_Carbene_Intra_Disproportionation
5548,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([C:2]1=[C+:6][C:5]([H:9])([H:10])[N:4]([H:8])[N-:3]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h4,6H,2H2",79.76526,80.64282,Singlet_Carbene_Intra_Disproportionation
5549,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([C:2]1=[C:6]([H:10])[C@@:5]2([H:9])[N:3]1[N:4]2[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5(2)3/h1-2,4,6H/t2-,5?/m1/s1",100.74696999999999,81.6376,
5550,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([C:2](/[N:3]=[N:4]/[H:8])=[C:6]=[C:5]([H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c1-2-3(6)5-4/h4,6H,1H2/b5-4+",79.76974,65.98174,
5551,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([C:2]1=[C:6]=[C:5]([H:9])[N:4]([H:8])[N:3]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h2,4-6H",105.6979,68.83255,
5552,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([C:2]1=[N:3][C@@:6]1(/[C:5](=[N:4]/[H:8])[H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c4-1-2-3(6)5-2/h1-2,4H,(H,5,6)/b4-1+/t2-/m1/s1",89.24625999999999,42.011140000000005,
5553,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O-:1][C:2]1=[N:3][N:4]([H:8])[C+:5]([H:9])[C:6]1([H:7])[H:10],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h2,4H,1H2",76.48047,28.50678,
5554,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([C:2]1=[N:3][N+:4]([H:8])([H:9])[C-:5]=[C:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1H,4H2,(H,5,6)",83.54969,67.53486,
5555,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([C:2]1=[C:6]([H:10])[C:5]([H:8])([H:9])[N:4]=[N:3]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1,6H,2H2",49.05037,27.38798,
5556,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C:1]([O+:2]=[C-:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2/c1-5-2-4-3-6-4/h4H,3H2,1H3/t4-/m0/s1",71.38363000000001,35.69339,
5557,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C:1]1([H:7])([H:8])[O:2][C@:3]1([C:4][C:5]([O:6][H:10])([H:11])[H:12])[H:9],"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h4-5H,2-3H2/t4-/m0/s1",67.40135,60.046330000000005,
5558,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C:1]1([H:7])([H:8])[O:2][C@:4]2([H:10])[C@@:3]1([H:9])[O:6][C:5]2([H:11])[H:12],"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1",80.10734000000001,-2.27858,
5559,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C:1](=[O:2])([H:7])[H:8].[C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H4O.CH2O/c1-3-2-4-3;1-2/h1,3H,2H2;1H2/t3-;/m0./s1",75.37024,78.54479,
5560,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C-:1](=[O+:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])[H:9])[H:8],"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2/c1-5-2-4-3-6-4/h1,4H,2-3H2/t4-/m0/s1",76.77516,46.62725,
5561,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C:1]1([H:7])([H:8])[O:2][C:3]1=[C:4]([H:9])[H:10].[C:5](=[O:6])([H:11])[H:12],"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1",InChI=1S/C3H4O.CH2O/c1-3-2-4-3;1-2/h1-2H2;1H2,79.93838000000001,9.53355,
5562,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C:1]([O:2][H:10])(/[C:3](=[C:4]1\[C:5]([H:11])([H:12])[O:6]1)[H:9])([H:7])[H:8],"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h1,5H,2-3H2/b4-1+",70.29137,-6.7554,
5563,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C-:1]([O+:2]=[C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9])([H:7])[H:8],"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2/c1-5-2-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1",63.33964,48.86096,
5564,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C:1](=[O:2])([H:7])[H:8].[C:3]1([H:9])=[C:4]([H:10])[C:5]([H:11])([H:12])[O:6]1,"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H4O.CH2O/c1-2-4-3-1;1-2/h1-2H,3H2;1H2",80.1669,8.8063,
5565,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]([C:5][H:12])([O:6][H:11])[H:10])[H:9],"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h1,3-5H,2H2/t3-,4-/m1/s1",70.97501,67.27369,
5566,[C:1]([C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[H:10])([H:6])([H:7])[H:8].[C:4](=[C:5]([H:13])[H:14])([H:11])[H:12].[H:9][H:15],"InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3","InChI=1S/C2H4O.C2H4.H2/c1-2-3;1-2;/h2H,1H3;1-2H2;1H",75.64139,33.86446,
5567,[C:1]([C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([H:11])[H:12])[H:10])([H:7])[H:8].[H:6][H:9],"InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3","InChI=1S/C4H8O.H2/c1-3-5-4-2;/h3H,1,4H2,2H3;1H",108.7217,28.40557,
5568,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:6]([H:15])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4](=[O:5])([H:13])[H:14],"InChI=1S/C5H10O/c1-2-5-3-6-4-5/h5H,2-4H2,1H3","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3H,1,4H2,2H3;1H2",67.55337,6.91988,2+2_cycloaddition
5569,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@:3]([C:4]([O:5][H:16])([H:13])[H:14])([C:6][H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5-3-6-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5(2)4-6/h2,5-6H,3-4H2,1H3/t5-/m1/s1",77.61876,74.42399,
5570,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:13])[H:14])[C:6]([O:5][H:12])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5-3-6-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5(2)4-6/h6H,2-4H2,1H3",89.91968,-10.48679,
5571,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:3]([C:4]([O:5][H:11])([H:13])[H:14])([H:12])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5-3-6-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5+/m1/s1",102.96873000000001,-4.8064599999999995,
5572,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])[H:10])([H:7])[H:8].[H:9][H:11],"InChI=1S/C5H10O/c1-2-5-3-6-4-5/h5H,2-4H2,1H3","InChI=1S/C5H8O.H2/c1-2-5-3-6-4-5;/h2,5H,1,3-4H2;1H",114.46658000000001,31.98412,
5573,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:6]([O:5][C:4]([H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5-3-6-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h3,5H2,1-2H3",85.80185,67.61367,
5574,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C:1](/[C:2](=[C:3](\[C:4]([H:11])([H:12])[H:13])[H:10])[H:9])([C:5](=[O:6])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-3,5H,4H2,1H3/b3-2-",76.8498,-14.387479999999998,
5575,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C@@:1]12([H:8])[C@@:2]([H:9])([C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]1[H:14])[O:6]2.[H:7][H:13],"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2/c1-2-4-5(3-1)6-4;/h1-2,4-5H,3H2;1H/t4-,5+;/m0./s1",118.45613999999999,20.814870000000003,
5576,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C:1](=[C:2]1[C:3]([H:10])([H:11])[C:4]([H:13])=[C:5]([H:14])[O:6]1)([H:7])[H:8].[H:9][H:12],"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2/c1-5-3-2-4-6-5;/h2,4H,1,3H2;1H",149.88951,9.63676,
5577,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C@@:2]([O:6][H:14])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1,"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h5-6H,1,3-4H2/t5-/m1/s1",74.50695,47.13759,
5578,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:6]1)([C:5][H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h1,5H,2-4H2/t5-/m0/s1",119.44401,88.79746999999999,
5579,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:8])([H:14])[O:6]1)[H:7],"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h1,5H,2-4H2/t5-/m0/s1",81.41088,62.64747,
5580,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C@:2]([C:3]([C:4]([C:5][H:14])([H:12])[H:13])([H:10])[H:11])([H:9])[O:6]1,"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-3-5-4-6-5/h1,5H,2-4H2/t5-/m1/s1",107.56873,82.82167,
5581,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]1[O:6]2.[H:13][H:14],"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2/c1-2-5-3-4(1)6-5;/h1,5H,2-3H2;1H/t5-;/m1./s1",126.14236000000001,105.57526000000001,
5582,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C:1](=[C:5]([C:4]([C:3]([C:2](=[O:6])[H:9])([H:10])[H:11])([H:12])[H:13])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2",54.91179,-12.55082,
5583,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C-:5]=[O+:6]1)([H:7])([H:8])[H:14],"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,2-3H2,1H3/t5-/m0/s1",74.13961,21.19041,
5584,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C:1]([C:2](=[C:3]([H:10])[H:11])[H:9])([C:5]([C:4]([H:12])([H:13])[H:14])=[O:6])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3",86.32293,-19.98648,
5585,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C@@:1]12([H:8])[C@@:2]([H:9])([C:3]1([H:10])[H:11])[O:6][C@:5]2([C:4]([H:7])([H:12])[H:13])[H:14],"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m0/s1",133.13756,15.05901,
5586,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17])([H:6])([H:7])[H:8],[C:1]([C:3]([H:9])([H:10])[H:11])([H:6])([H:7])[H:8].[C:2]([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17],"InChI=1S/C5H12/c1-5(2,3)4/h1-4H3",InChI=1S/C3H6.C2H6/c1-3-2;1-2/h1-2H3;1-2H3,147.4322,91.97426999999999,
5587,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:4]([H:13])[H:14])[C:5]([H:15])([H:16])[H:17])([H:6])([H:7])[H:8].[C:3]([H:9])([H:10])([H:11])[H:12],"InChI=1S/C5H12/c1-5(2,3)4/h1-4H3","InChI=1S/C4H8.CH4/c1-4(2)3;/h1H2,2-3H3;1H4",109.64535,17.39795,
5588,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[N:1](=[C:2](/[N:3]=[C:4](/[O:5][H:8])[H:9])[H:7])\[H:6],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)",47.10935,14.591829999999998,ketoenol
5589,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[N+:1](=[C-:2][N:3]([C:4](=[O:5])[H:9])[H:8])([H:6])[H:7],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/C2H4N2O/c3-1-4-2-5/h2H,3H2,(H,4,5)",74.57944,23.26525,
5590,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[N:1](=[C:2](/[N+:3](=[C-:4][O:5][H:9])[H:8])[H:7])\[H:6],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/C2H4N2O/c3-1-4-2-5/h1,3-5H/b3-1+",72.97717,35.61412,
5591,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[N:1]#[C:2][H:7].[N:3](=[C:4](/[O:5][H:6])[H:9])\[H:8],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/CH3NO.CHN/c2-1-3;1-2/h1H,(H2,2,3);1H",40.9842,20.45024,Retroene
5592,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[N:1]1([H:6])[C@@:2]2([H:7])[N:3]([H:8])[C@@:4]2([H:9])[O:5]1,"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/C2H4N2O/c3-1-2(3)5-4-1/h1-4H/t1-,2+/m1/s1",133.85578999999998,95.34026,
5593,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[N:1](=[C:2](/[O:5]/[C:4](=[N:3]/[H:8])[H:9])[H:7])\[H:6],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/C2H4N2O/c3-1-5-2-4/h1-4H/b3-1+,4-2+",59.22708000000001,18.572979999999998,ketoenol
5594,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[C-:4]#[O+:5].[N:1]([C+:2]([N-:3][H:8])[H:7])([H:6])[H:9],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/CH4N2.CO/c2-1-3;1-2/h1-2H,3H2;",44.03026,9.84721,"1,2_Insertion_CO"
5595,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[N:1]1([H:6])[C:2]([H:7])=[N:3][C:4]([H:8])([H:9])[O:5]1,"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/C2H4N2O/c1-3-2-5-4-1/h1H,2H2,(H,3,4)",114.01042,54.52949,
5596,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[H:7][H:8].[N:1](=[C:2]=[N:3][C:4](=[O:5])[H:9])[H:6],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)",InChI=1S/C2H2N2O.H2/c3-1-4-2-5;/h2-3H;1H,95.01351,32.04671,
5597,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[N:1](=[C:2])[H:6].[N:3]([C:4](=[O:5])[H:9])([H:7])[H:8],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/CH3NO.CHN/c2-1-3;1-2/h1H,(H2,2,3);2H",83.98331,26.03483,
5598,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[N:1](/[C:2](=[N:3]/[C:4](=[O:5])[H:9])[H:7])([H:6])[H:8],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)",42.38487,3.13485,
5599,[C:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]#[N+:3][O-:4])([H:7])([H:8])[H:9].[N:5]#[C:6][H:10],"InChI=1S/C3H4N2O/c1-3-2-4-6-5-3/h2H,1H3",InChI=1S/C2H3NO.CHN/c1-2-3-4;1-2/h1H3;1H,53.98046,22.264879999999998,
5600,[C:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]#[N:3])([H:7])([H:8])[H:9].[O-:4][N+:5]#[C:6][H:10],"InChI=1S/C3H4N2O/c1-3-2-4-6-5-3/h2H,1H3",InChI=1S/C2H3N.CHNO/c2*1-2-3/h1H3;1H,54.860640000000004,19.38485,
5601,[C:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]=[O:4])=[C:6]=[N:5][H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-2-4-6-5-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3(2-4)5-6/h4H,1H3",73.00013,24.52245,
5602,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C+:1](=[C:2]=[C-:3][C:6]([C:5]([C:4]([H:8])([H:9])[H:10])([H:11])[H:12])([H:13])[H:14])[H:7],"InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-3-5-6-4-2/h1H,4,6H2,2H3",73.72131999999999,57.21665,
5603,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C:1](#[C:2][C@@:3]([C:4]([C:5][H:12])([H:9])[H:10])([C:6]([H:11])([H:13])[H:14])[H:8])[H:7],"InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-4-6(3)5-2/h1-2,6H,4H2,3H3/t6-/m1/s1",84.16235,73.18835,
5604,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C-:1](=[C:2]([C+:3]1[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:8])[H:7],"InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-2-6-4-3-5-6/h1-2H,3-5H2",76.24613000000001,55.22886,
5605,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C:1](=[C:2]=[C:3]1[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])[H:8],"InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,3-5H2",78.82354000000001,-1.24232,
5606,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C:1](=[C:2])([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-2-6-4-3-5-6/h2,6H,3-5H2",61.003409999999995,49.64462,Singlet_Carbene_Intra_Disproportionation
5607,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C:1](#[C:2][C:3]([C:4]([C:5]([H:8])([H:11])[H:12])([H:9])[H:10])=[C:6]([H:13])[H:14])[H:7],"InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-4-6(3)5-2/h1H,3,5H2,2H3",124.1673,-6.30255,
5608,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([O:3][C:2](=[O:6])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/C2H4O2.C2H4/c1-4-2-3;1-2/h2H,1H3;1-2H2",106.31965,13.98875,
5609,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O+:3]=[C-:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/C4H6O2.H2/c1-4-5-2-3-6-4;/h4H,2H2,1H3;1H/t4-;/m1./s1",82.18303,62.60601,
5610,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][C:4](=[C:5]([H:13])[H:14])[H:11])([O:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-3-6-4(2)5/h3-5H,1H2,2H3/t4-/m1/s1",80.37033000000001,3.38752,
5611,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O+:3][C-:4]([H:11])[H:12])[O:6][C:5]([H:10])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(5-2)6-3/h2H2,1,3H3",115.33035,72.16138000000001,
5612,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O:6])[H:10])([H:7])([H:8])[H:9].[O:3]=[C:4]([C:5]([H:11])([H:13])[H:14])[H:12],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/2C2H4O/c2*1-2-3/h2*2H,1H3",69.42974,3.0123,
5613,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C-:2]1=[O+:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1.[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3",InChI=1S/C3H4O2.CH4/c1-2-5-3-4-1;/h1-2H2;1H4,81.44928,34.22765,
5614,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[O+:3][C-:4]([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/C4H6O2.H2/c1-4-5-2-3-6-4;/h2H,3H2,1H3;1H",83.4414,75.15811,
5615,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([O+:3]=[C-:4][H:11])([O:6][C:5]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(5-2)6-3/h2,4H,1,3H3/t4-/m0/s1",81.05441,65.69628,
5616,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:8])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3",InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,100.03278,13.666879999999999,
5617,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[C:2]1([H:10])=[O+:6][C-:5]([H:14])[C:4]([H:11])([H:12])[O:3]1,"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/C3H4O2.CH4/c1-2-5-3-4-1;/h1,3H,2H2;1H4",94.83937,72.63396999999999,
5618,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([O:3][C:4]([C:5]([O+:6]=[C-:2][H:10])([H:13])[H:14])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-5-3-4-6-2/h1H,3-4H2,2H3",125.4453,75.81779,
5619,[C:1]([N:2]([C:3](=[O:4])[H:9])[H:8])([H:5])([H:6])[H:7],[C:1](=[N:2][H:8])([H:5])[H:6].[C:3](=[O:4])([H:7])[H:9],"InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)","InChI=1S/CH3N.CH2O/c2*1-2/h2H,1H2;1H2",90.10848,41.44924,
5620,[C:1]([N:2]([C:3](=[O:4])[H:9])[H:8])([H:5])([H:6])[H:7],[C:1]([H:5])([H:6])([H:7])[H:8].[N:2](=[C:3]=[O:4])[H:9],"InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)",InChI=1S/CHNO.CH4/c2-1-3;/h2H;1H4,88.0761,-2.92501,
5621,[C:1]([N:2]([C:3](=[O:4])[H:9])[H:8])([H:5])([H:6])[H:7],[C-:3]#[O+:4].[C:1]([N:2]([H:8])[H:9])([H:5])([H:6])[H:7],"InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)","InChI=1S/CH5N.CO/c2*1-2/h2H2,1H3;",83.52965,14.154379999999998,"1,2_Insertion_CO"
5622,[C:1]([N:2]([C:3](=[O:4])[H:9])[H:8])([H:5])([H:6])[H:7],[C:1]([O:4]/[C:3](=[N:2]/[H:8])[H:9])([H:5])([H:6])[H:7],"InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)","InChI=1S/C2H5NO/c1-4-2-3/h2-3H,1H3/b3-2+",74.83122,15.39276,ketoenol
5623,[C:1]([N:2]([C:3](=[O:4])[H:9])[H:8])([H:5])([H:6])[H:7],[C-:1]([N+:2]([C:3](=[O:4])[H:9])([H:7])[H:8])([H:5])[H:6],"InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)","InChI=1S/C2H5NO/c1-3-2-4/h2H,1,3H2",96.16768,80.3607,
5624,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:6]2([H:12])[O:4][C@@:5]12[H:11],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1",57.76636,-35.9905,
5625,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C:2][C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6]2([H:9])[H:12],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h4-5H,1,3H2/t4-,5+/m0/s1",59.36897,43.57865,
5626,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C:2][C@@:6]2([H:12])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-2-5-4(1)3-6-5/h4-5H,2-3H2/t4-,5-/m0/s1",59.21284,55.31476,
5627,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:6]2([H:12])[C-:3]=[O+:4][C@@:5]12[H:11],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-2-5-4(1)3-6-5/h4-5H,1-2H2/t4-,5-/m0/s1",46.99289,22.42253,
5628,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:6]([H:12])[C@:5]1([O+:4]=[C-:3][H:10])[H:11],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-6-5-3-2-4-5/h1-3,5H,4H2/t5-/m1/s1",58.939659999999996,31.605790000000002,
5629,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]([O:4][H:11])([H:10])[C@@:6]2([H:12])[C:5]1,"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c6-5-3-1-2-4(3)5/h3-6H,1H2/t3-,4+,5-/m1/s1",68.42421999999999,33.32685,
5630,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1](=[C:2]([C@@:3]1([H:10])[O:4][C:5]([H:11])=[C:6]1[H:12])[H:9])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-2-5-3-4-6-5/h2-5H,1H2/t5-/m1/s1",57.00362,-16.00081,
5631,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C@@:2]([C:6][H:12])([H:9])[C@@:3]2([H:10])[O:4][C@@:5]12[H:11],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-3-2-4-5(3)6-4/h1,3-5H,2H2/t3-,4-,5+/m0/s1",85.83366,66.59376,
5632,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]([C:2]1([H:9])[C:3]([H:10])=[C:6]1[H:12])([C:5](=[O:4])[H:11])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c6-4-3-5-1-2-5/h1-2,4-5H,3H2",40.437,-10.42252,
5633,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@@:5]1([H:11])[O:4][C:3]([H:10])=[C:6]2[H:12],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-2-6-5-3-4(1)5/h1-2,4-5H,3H2/t4-,5+/m1/s1",49.39792,-34.98275,
5634,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C+:2]([H:9])[C:3]([H:10])=[C-:6][C@:5]1([O:4][H:12])[H:11],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2,5-6H,3H2/t5-/m0/s1",105.52772,12.01958,
5635,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C-:3]=[O+:4][C@@:5]1([H:11])[C:6]2([H:10])[H:12],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-4-2-5(1)6-3-4/h4-5H,1-2H2/t4-,5+",53.34194,13.224379999999998,
5636,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]([H:10])([O+:4]=[C-:5]1)[C:6]2([H:11])[H:12],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-2-6-5-3-4(1)5/h4-5H,1,3H2/t4-,5+/m1/s1",67.43075,5.10816,
5637,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[O+:4]=[C-:5][C@@:6]12[H:12])([H:7])([H:8])[H:11],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-3-4-2-6-5(3)4/h3-5H,1H3/t3-,4+,5-/m1/s1",66.49371,31.35568,
5638,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]([H:10])([O:4]1)[C@:6]2([C:5][H:11])[H:12],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-3-4-2-6-5(3)4/h1,3-5H,2H2/t3-,4+,5-/m0/s1",110.14088000000001,63.670809999999996,
5639,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:12])[C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6]2,"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h4-5H,1-2H2/t4-,5+",55.1139,31.395059999999997,
5640,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C@:6]2([C:2][H:9])[H:12],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-3-4-2-5(3)6-4/h1,3-5H,2H2/t3-,4+,5-",118.93123999999999,85.33634,
5641,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C@:2]([C:3](=[O:4])[H:10])([H:9])[C:6]([H:12])=[C:5]1[H:11],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c6-4-5-2-1-3-5/h1-2,4-5H,3H2/t5-/m0/s1",36.48802,-32.629870000000004,
5642,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C+:1](=[C:2]=[C-:3][H:9])[H:7].[C:4]1([H:8])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2",InChI=1S/C3H6.C3H2/c1-2-3-1;1-3-2/h1-3H2;1-2H,91.5226,91.54385,
5643,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:1](=[C:2]1[C:3]([H:8])([H:9])[C:4]12[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])([H:7])[H:10],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2",InChI=1S/C6H8/c1-5-4-6(5)2-3-6/h1-4H2,97.70971999999999,8.30424,
5644,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:1](#[C:2][C:3]([C:4]([C:5](=[C:6]([H:13])[H:14])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-3-5-6-4-2/h1,4H,2,5-6H2",85.47993000000001,-4.10101,
5645,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:1](=[C:2]=[C:3]([H:8])[H:9])([H:7])[H:13].[C:4]1([H:10])=[C:6]([H:14])[C:5]1([H:11])[H:12],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2","InChI=1S/2C3H4/c1-2-3-1;1-3-2/h1-2H,3H2;1-2H2",72.09373000000001,46.17133,Retroene
5646,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:1](=[C:2])([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-2-3-6-4-5-6/h2,6H,3-5H2",59.740930000000006,49.42635,Singlet_Carbene_Intra_Disproportionation
5647,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:1](=[C:2]=[C:3]([H:8])[H:9])([C:6]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:13])[H:14])[H:7],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-3-5-6-4-2/h3,6H,1-2,5H2",75.40661,-6.21894,
5648,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:1](#[C:2][C:3]([C:4][C:5]([C:6]([H:10])([H:13])[H:14])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-3-5-6-4-2/h1H,4-5H2,2H3",68.57864000000001,66.8774,
5649,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:1](=[C:2]=[C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:9])([H:7])[H:8],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-2-3-6-4-5-6/h3,6H,1,4-5H2",77.79377,-2.16083,
5650,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:6]([O:5][C:4]([H:8])([H:11])[H:12])([H:13])[H:14])[H:10])([H:7])[H:9],"InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-5-3-4-6-2/h3H,1,4H2,2H3",86.16058000000001,53.031369999999995,
5651,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]1([H:10])[C-:4]=[O+:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3","InChI=1S/C4H6O2.H2/c1-5-4-2-6-3-4;/h4H,2H2,1H3;1H/t4-;/m1./s1",86.80234,69.97241,
5652,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([O:5][C:6]([C@@:3]([O-:2])([C+:4]([H:11])[H:12])[H:10])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(5)3-6-2/h4H,1,3H2,2H3/t4-/m0/s1",91.89529,62.75415,
5653,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([O:2][C:6]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[O:5]1)([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1",81.39579,1.6965299999999999,
5654,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]([C:4][H:11])([C:6]([O:5][H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(3-5)6-2/h1,4-5H,3H2,2H3/t4-/m0/s1",75.55891,72.07092,
5655,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]1[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])[H:9].[H:8][H:10],"InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3",InChI=1S/C4H6O2.H2/c1-5-4-2-6-3-4;/h1-3H2;1H,85.41844,85.01313,
5656,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([O:2][H:13])([H:7])([H:8])[H:9].[C:3]1([H:10])=[C:6]([H:14])[O:5][C:4]1([H:11])[H:12],"InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3","InChI=1S/C3H4O.CH4O/c1-2-4-3-1;1-2/h1-2H,3H2;2H,1H3",76.63749,18.79242,"1,3_Insertion_ROR"
5657,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:6]([O+:5]=[C-:4][H:11])([H:13])[H:14])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-5-3-4-6-2/h1H,3-4H2,2H3",81.73696,50.39278,
5658,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:6]([H:13])[H:14])[H:10])([H:7])([H:8])[H:9].[C:4](=[O:5])([H:11])[H:12],"InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3","InChI=1S/C3H6O.CH2O/c1-3-4-2;1-2/h3H,1H2,2H3;1H2",70.53545,4.80171,2+2_cycloaddition
5659,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:7])([H:9])[N:4]([H:10])[C:5]([H:11])=[C:6]1[H:12])\[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-2,5-6H,3H2/b5-4+",73.77339,11.17136,
5660,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N+:1]([C:2]1=[C:6]=[C:5]([H:11])[N:4]([H:10])[C-:3]1[H:9])([H:7])([H:8])[H:12],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H5N2/c5-4-1-2-6-3-4/h2-3,6H,5H2/q-1/p+1",81.18483,78.38155,
5661,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[N:4]=[C:5]([H:11])[C:6]1([H:10])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h2-3H,1,5H2",42.39605,12.6789,
5662,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C-:3][N+:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-2H,5-6H2",84.68878000000001,76.47798,
5663,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:6]([H:12])[C:5]([H:10])([H:11])[N:4]=[C:3]1[H:9])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1,3H,2,5H2",42.21557,10.63027,
5664,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2](/[C:3](=[N:4]/[H:10])[H:9])=[C:6]=[C:5]([H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c1-2-4(6)3-5/h3,5H,1,6H2/b5-3+",106.66281000000001,42.78563,
5665,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[N:4]([H:10])[C:5][C:6]1([H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h3,6H,1,5H2",61.14975,48.27751,Singlet_Carbene_Intra_Disproportionation
5666,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[N+:4]([H:10])([H:11])[C-:5]=[C:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1,3H,5-6H2",83.02866999999999,70.4893,
5667,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:6]([H:12])[C:5]([H:11])=[N:4][C:3]1([H:9])[H:10])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-2H,3,5H2",43.0011,7.55168,
5668,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[C@@:6]1(/[C:5](=[N:4]/[H:10])[H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-2-3-1-4(3)6/h1-3,5H,6H2/b5-2+/t3-/m1/s1",95.78012,56.141769999999994,
5669,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C@:2]1([H:9])[C:3][N:4]([H:10])[C:5]([H:11])=[C:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-2,4,6H,5H2/t4-/m0/s1",59.4062,57.64164,Singlet_Carbene_Intra_Disproportionation
5670,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N+:1]([c:2]1[c-:3][n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H5N2/c5-4-1-2-6-3-4/h1-2,6H,5H2/q-1/p+1",73.49231999999999,66.28935,
5671,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[H:8][H:12].[N-:1]([C:2]1=[C:6]=[C:5]([H:11])[N:4]([H:10])[C+:3]1[H:9])[H:7],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H4N2.H2/c5-4-1-2-6-3-4;/h2-3,5-6H;1H",131.90543,111.54151999999999,
5672,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:6]=[C:5]([H:11])[N:4]([H:10])[C:3]1([H:9])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h2,6H,3,5H2",87.10918000000001,54.76875,
5673,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C+:3][N:4]([H:10])[C-:5]([H:11])[C:6]1([H:9])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h2,6H,1,5H2",78.4692,67.40034,
5674,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C-:2][C:6]1([H:12])[C+:3]([H:9])[N:4]([H:10])[C:5]1[H:11])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-1-4-2-6-3-4/h2-4,6H,5H2",131.53886,119.89153999999999,
5675,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]#[C:3][H:9])([H:7])[H:8].[N:4](=[C:5]=[C:6]([H:11])[H:12])[H:10],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/2C2H3N/c2*1-2-3/h3H,1H2;1H,3H2",134.99541000000002,68.96085,
5676,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C-:6][C:5]([H:11])([H:12])[N:4]([H:10])[C+:3]1[H:9])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h3,6H,2,5H2",68.75418,63.88535,Singlet_Carbene_Intra_Disproportionation
5677,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[H:7][H:9].[O:1]=[C:2](/[C:3](=[C:4](\[C:5](=[C:6]([H:13])[H:14])[H:12])[H:11])[H:10])[H:8],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H6O.H2/c1-2-3-4-5-6;/h2-5H,1H2;1H/b4-3-;",96.52929,37.20371,
5678,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[C:2]1([H:8])=[C:6]([H:13])[C:5]([H:12])=[C:4]([H:11])[C:3]1([H:9])[H:10].[O:1]([H:7])[H:14],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H6.H2O/c1-2-4-5-3-1;/h1-4H,5H2;1H2",63.14394,7.4995899999999995,"1,3_Insertion_ROR"
5679,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]([C:2]([C:3]([C:4](=[C:5]=[C:6]([H:13])[H:14])[H:11])([H:9])[H:10])([H:8])[H:12])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h3,6H,1,4-5H2",133.24075,28.264159999999997,
5680,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5][C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h5-6H,1,3-4H2/t5-/m0/s1",68.83404,68.31106,Singlet_Carbene_Intra_Disproportionation
5681,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1](/[C:2](=[C:3]([C:4](=[C:5](\[C:6]([H:9])([H:13])[H:14])[H:12])/[H:11])\[H:10])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-6H,1H3/b3-2-,5-4+",90.02002,11.47996,
5682,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[H:9][H:14].[O:1]([C:2]1([H:8])[C:3]([H:10])=[C:4]([H:11])[C:5]([H:12])=[C:6]1[H:13])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2",InChI=1S/C5H6O.H2/c6-5-3-1-2-4-5;/h1-6H;1H,60.95926,30.15783,
5683,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]([C:2](/[C:6](=[C:5](\[C:4](=[C:3]([H:9])[H:10])[H:11])[H:12])[H:13])([H:8])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-4,6H,1,5H2/b4-3-",90.07907,19.07064,
5684,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]1([C:5](=[C:6]([H:13])[H:14])[H:12])[H:11])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H8O/c1-2-4-3-5(4)6/h2,4-6H,1,3H2/t4-,5-/m0/s1",81.27462,26.312540000000002,
5685,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]=[C:2]([C:3]([C:4]([C:5](=[C:6]([H:13])[H:14])[H:12])([H:7])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2",67.1319,7.37357,
5686,[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:5]1=[N:6][C@@:2]1([C:3]#[C:4][H:9])[H:8])[H:7],"InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,4,6H/t4-/m0/s1","InChI=1S/C4H3NO/c1-2-3-4(6)5-3/h1,3H,(H,5,6)/t3-/m1/s1",85.70319,24.07541,
5687,[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:2](=[C:5]=[N:6][C:3]#[C:4][H:9])[H:8])[H:7],"InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,4,6H/t4-/m0/s1","InChI=1S/C4H3NO/c1-2-5-3-4-6/h1,4,6H",104.86596999999999,31.6935,
5688,[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:5]#[N:6])[H:8])[H:7],[C:5]=[N:6][H:7].[O:1]=[C:2]([C:3]#[C:4][H:9])[H:8],"InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,4,6H/t4-/m0/s1","InChI=1S/C3H2O.CHN/c1-2-3-4;1-2/h1,3H;2H",66.16586,27.97935,
5689,[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:5]#[N:6])[H:8])[H:7],[C:5](#[N:6])[H:8].[O:1]([C-:2]=[C:3]=[C+:4][H:9])[H:7],"InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,4,6H/t4-/m0/s1","InChI=1S/C3H2O.CHN/c1-2-3-4;1-2/h1,4H;1H",73.68073000000001,62.64963,
5690,[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C@@:2]([C:4](=[C:3])[H:9])([C:5]#[N:6])[H:8])[H:7],"InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,4,6H/t4-/m0/s1","InChI=1S/C4H3NO/c1-2-4(6)3-5/h2,4,6H/t4-/m0/s1",56.20745,48.439170000000004,Singlet_Carbene_Intra_Disproportionation
5691,[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C@@:2]([C:3]#[C:4][H:9])([N+:6]#[C-:5])[H:8])[H:7],"InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,4,6H/t4-/m0/s1","InChI=1S/C4H3NO/c1-3-4(6)5-2/h1,4,6H/t4-/m0/s1",53.195209999999996,18.54274,
5692,[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:2]([C:3]#[C:4][H:9])=[C:5]=[N:6][H:8])[H:7],"InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,4,6H/t4-/m0/s1","InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,5-6H",84.57879,19.11821,
5693,[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:2](=[C:3]=[C:4]([N+:6]#[C-:5])[H:9])[H:8])[H:7],"InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,4,6H/t4-/m0/s1","InChI=1S/C4H3NO/c1-5-3-2-4-6/h3-4,6H",77.48924,13.059289999999999,
5694,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([N:6]=[C:5]=[C:2]1[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-5-2-4-3-6-4/h3H2,1H3",115.38212,47.58525,
5695,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:5]#[N:6])([H:10])[H:11])=[O:4])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3",76.70886999999999,-27.866190000000003,
5696,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([O:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-2-3-6-4-5/h3H2,1H3",91.05824,72.45437,
5697,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3][H:10])([O:4][H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(2,6)3-5/h1,6H,2H3/t4-/m1/s1",73.43818,69.26156,
5698,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C-:5]=[N:6][H:11])[C:3]([H:10])=[O+:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3,5H,1H3/t4-/m1/s1",141.07619,87.56413,
5699,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([O:4][H:8])([H:10])[H:11])[C:5]#[N:6])([H:7])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(2-5)3-6/h6H,1,3H2",64.07672,-8.77924,
5700,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([N+:6]#[C-:5])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(5-2)3-6-4/h3H2,1H3/t4-/m0/s1",55.87709,18.6876,
5701,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([O+:4]=[C-:3][H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(3-5)6-2/h2,4H,1H3/t4-/m1/s1",84.12545,51.3933,
5702,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:2]([O+:4]=[C:3]([H:10])[H:11])=[C:5]=[N-:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(3-5)6-2/h2H2,1H3",59.458330000000004,43.01105,
5703,[C:1]([O:2][C:3](=[O:4])[C:5](=[O:6])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([O+:2]=[C-:3][O:4][H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3","InChI=1S/C2H4O2.CO/c1-4-2-3;1-2/h3H,1H3;",59.34346,37.7256,
5704,[C:1]([O:2][C:3](=[O:4])[C:5](=[O:6])[H:10])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][O:4][C:5](=[O:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3","InChI=1S/C3H4O3/c1-5-3-6-2-4/h2H,1H3",56.915040000000005,37.98426,
5705,[C:1]([O:2][C:3](=[O:4])[C:5](=[O:6])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[O:4])[O+:6]=[C-:5][H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3","InChI=1S/C3H4O3/c1-5-3(4)6-2/h1H,2H3",75.48684,58.57809,
5706,[C:1]([O:2][C:3](=[O:4])[C:5](=[O:6])[H:10])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C-:5]#[O+:6].[C:1]([O:2][H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3","InChI=1S/CH4O.2CO/c3*1-2/h2H,1H3;;",68.86789,6.29786,
5707,[C:1]([O:2][C:3](=[O:4])[C:5](=[O:6])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([O-:4])=[C+:5][O:6][H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3","InChI=1S/C3H4O3/c1-6-3(5)2-4/h1H3,(H-,4,5)",82.24564000000001,48.8274,
5708,[O:1]=[C:2]([O:3][C:4]([C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2](=[O:3])[H:7])[C:5]1=[C:6]([H:10])[C:4]1([H:8])[H:9],"InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2","InChI=1S/C4H4O2/c5-3-6-4-1-2-4/h1,3H,2H2",70.10465,20.84964,
5709,[O:1]=[C:2]([O:3][C:4]([C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[C:4]([H:8])[H:9].[O:1]=[C:2]([O:3][C:5]#[C:6][H:10])[H:7],"InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2","InChI=1S/C3H2O2.CH2/c1-2-5-3-4;/h1,3H;1H2",128.14288,123.51603999999999,
5710,[O:1]=[C:2]([O:3][C:4]([C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([O:3]/[C:4](=[C:5](\[C:6][H:10])[H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2",InChI=1S/C4H4O2/c1-2-3-6-4-5/h1-4H/b3-2-,74.99905,57.66126,
5711,[O:1]=[C:2]([O:3][C:4]([C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([H:7])[H:8].[O:3]=[C:4]([C:5]#[C:6][H:10])[H:9],"InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2","InChI=1S/C3H2O.CH2O/c1-2-3-4;1-2/h1,3H;1H2",74.16322,30.785829999999997,
5712,[O:1]=[C:2]([O:3][C:4]([C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[C:4](=[C:5]=[C:6]([H:7])[H:10])([H:8])[H:9].[O:1]=[C:2]=[O:3],"InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2",InChI=1S/C3H4.CO2/c1-3-2;2-1-3/h1-2H2;,50.7372,-28.038,Retroene
5713,[O:1]=[C:2]([O:3][C:4]([C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]=[C:5]1[C:4]([H:8])([H:9])[O:3][C:2]([H:7])=[C:6]1[H:10],"InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2","InChI=1S/C4H4O2/c5-4-1-2-6-3-4/h1-2H,3H2",109.39732,-27.16488,
5714,[O:1]=[C:2]([O:3][C:4]([C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2](=[O+:3][C-:4]([C:5]#[C:6][H:10])[H:9])[H:7])[H:8],"InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2","InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,3-5H",71.21762,68.29935,
5715,[O:1]=[C:2]([O:3][C:4]([C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([O:3][C:4]([C:6](=[C:5])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2","InChI=1S/C4H4O2/c1-2-3-6-4-5/h2,4H,3H2",57.17691,49.508559999999996,Singlet_Carbene_Intra_Disproportionation
5716,[O:1]=[C:2]([O:3][C:4]([C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2](=[O:3])[H:7])[C:6](=[C:5]=[C:4]([H:8])[H:9])[H:10],"InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2","InChI=1S/C4H4O2/c1-2-3-6-4-5/h3-4H,1H2",43.64281,0.98772,
5717,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[n:6]1)([H:7])[H:8],[C:5](#[N:6])[H:9].[N:1]([C:2]#[N+:3][O-:4])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h1H,(H2,3,5)",InChI=1S/CH2N2O.CHN/c2-1-3-4;1-2/h2H2;1H,72.76989,63.157419999999995,
5718,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[n:6]1)([H:7])[H:8],[N-:1]([c+:2]1[n:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],"InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h1H,(H2,3,5)","InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h1,3,5H",67.32726,23.098589999999998,
5719,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[n:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:3][N:6]1[C:5](=[O:4])[H:9])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h1H,(H2,3,5)","InChI=1S/C2H3N3O/c3-2-4-5(2)1-6/h1H,(H2,3,4)",60.78351,44.355990000000006,ketoenol
5720,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[n:6]1)([H:7])[H:8],[N:1]([c:2]1[n:3][o+:4][c-:5][n:6]1[H:9])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h1H,(H2,3,5)","InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h(H3,3,4,5)",73.70513000000001,31.97182,
5721,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[n:6]1)([H:7])[H:8],[N:1](=[c:2]1[n-:3][o+:4][c:5]([H:9])[n:6]1[H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h1H,(H2,3,5)","InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h1H,(H2,3,4)",65.0993,36.90948,
5722,[C:1]([C:2]([C:3]#[C:4][H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1](/[C:2](=[C:3](\[C:4][H:10])[H:9])[H:8])([H:5])([H:6])[H:7],"InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3","InChI=1S/C4H6/c1-3-4-2/h1,3-4H,2H3/b4-3-",77.55339000000001,59.378330000000005,
5723,[C:1]([C:2]([C:3]#[C:4][H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2](=[C:3]=[C:4]([H:9])[H:10])[H:8])([H:5])([H:6])[H:7],"InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3","InChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3",62.96938000000001,-1.9305700000000001,
5724,[C:1]([C:2]([C:3]#[C:4][H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]1([H:5])([H:7])[C:2]([H:8])([H:9])[C:3]1=[C:4]([H:6])[H:10],"InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3",InChI=1S/C4H6/c1-4-2-3-4/h1-3H2,99.66895,4.83833,
5725,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:5]([C:4]([C:3]([H:10])([H:11])[H:12])([H:13])[H:14])[O-:6])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C5H8O/c1-3-5(6)4-2/h3H2,1-2H3",69.70068,63.41105,
5726,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:4]([C:5](=[O:6])[H:11])([H:13])[H:14])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-3,5H,4H2,1H3/b3-2+",111.28783999999999,4.81119,
5727,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([O:6][C:5]1=[C:2]([H:10])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C5H8O/c1-6-5-3-2-4-5/h3H,2,4H2,1H3",107.05787,25.89254,ketoenol
5728,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[O:6])([H:13])[H:14],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H6.C2H2O/c1-3-2;1-2-3/h3H,1H2,2H3;1H2",56.211459999999995,21.02994,
5729,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:5]=[O:6])[H:13])([H:11])[H:12])([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h4H,2-3H2,1H3",80.4171,2.65102,
5730,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:5](=[O:6])[H:10])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3",73.21454,5.2643699999999995,
5731,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[O:6])[H:10])([H:7])([H:8])[H:9].[C:3](=[C:4]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H4O.C2H4/c1-2-3-4;1-2/h2H,1H3;1-2H2",54.56253,25.67063,
5732,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]1[O:6][H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h3-4,6H,2H2,1H3/t4-/m0/s1",78.43861,14.973920000000001,ketoenol
5733,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](/[C:2](=[C:3](/[C:4]([H:11])([H:13])[H:14])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8.CO/c1-3-4-2;1-2/h3-4H,1-2H3;/b4-3+;",86.10675,0.5415,
5734,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:5](=[C+:4][H:14])[O-:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C5H8O/c1-4(2)5(3)6/h3-4H,1-2H3",74.91091,70.76459,
5735,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:5]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3",89.13712,2.7978,
5736,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:5]=[O+:6]1)([H:7])([H:8])[H:9].[C:3](=[C:4]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H4O.C2H4/c1-3-2-4-3;1-2/h3H,1H3;1-2H2/t3-;/m0./s1",108.79968999999998,83.63032,
5737,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3](=[C:4]([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8.CO/c1-3-4-2;1-2/h3H,1,4H2,2H3;",85.54692,3.59427,
5738,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:5](/[O:6][C:4]([H:11])([H:12])[H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-5-3-4-6-2/h3-4H,1-2H3/b4-3+",98.48886,21.332160000000002,ketoenol
5739,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C:3]=[C:5]([O-:6])[H:14])([H:7])([H:8])[H:9].[C:4]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C3H4O2.CH4/c1-5-3-2-4;/h2H,1H3;1H4",76.46119,59.475680000000004,
5740,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C@:5]1([H:14])[C@:3]([C:4]([H:11])([H:12])[H:13])([H:10])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-3-4(5-2)6-3/h3-4H,1-2H3/t3-,4+/m1/s1",71.59069000000001,13.609029999999999,
5741,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:7])[H:9].[C:3](\[C:4]([H:11])([H:12])[H:13])(=[C:5](/[O:6][H:8])[H:14])[H:10],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2-4H,1H3;1H2/b3-2+;",58.087869999999995,14.830739999999999,Retroene
5742,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]([H:11])[H:12])[C:5](=[O:6])[H:14])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C4H6O2.H2/c1-4(3-5)6-2;/h3H,1H2,2H3;1H",113.86986,29.338340000000002,
5743,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5][O:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h4-5H,1-2H3/t4-/m0/s1",80.89334000000001,51.91365,
5744,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([O+:6]=[C-:5][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-4(5-2)6-3/h2,4H,1,3H3/t4-/m0/s1",99.27796,59.214119999999994,
5745,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([O:2][C:3](=[C:4]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C3H6O.CO.H2/c1-3-4-2;1-2;/h3H,1H2,2H3;;1H",73.34361,26.570590000000003,
5746,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1",85.03779,19.22482,
5747,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([O+:4]=[C-:3][H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(3-5)6-2/h2-4H,1H3/t4-/m1/s1",80.60287,51.76028,
5748,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C-:5]([O:6][H:11])[H:12])[C:3]([H:10])=[O+:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2-3,5H,1H3/t4-/m1/s1",104.18205,69.39681,
5749,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3][H:10])([O:4][H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(2,6)3-5/h1,3,6H,2H3/t4-/m1/s1",72.0148,67.89622,
5750,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([H:12])[O:6][C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4-2-5-3-6-4/h2H,3H2,1H3",52.893,-3.2094400000000003,ketoenol
5751,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])([H:11])[O:4]1)([H:8])[H:9].[C:5](=[O:6])([H:7])[H:12],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1",InChI=1S/C3H4O.CH2O/c1-3-2-4-3;1-2/h1-2H2;1H2,91.20463000000001,38.13791,
5752,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:2]([O+:4]=[C:3]([H:10])[H:11])=[C:5]([O-:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(3-5)6-2/h3H,2H2,1H3",49.1494,44.52023,
5753,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([O:4][C:3]([C+:2]=[C:5]([O-:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-6-4-2-3-5/h3H,4H2,1H3",112.07388,74.8733,
5754,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([O:6]/[C:5](=[C:2]1\[C:3]([H:10])([H:11])[O:4]1)[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-5-2-4-3-6-4/h2H,3H2,1H3/b4-2+",107.63566000000002,34.10969,ketoenol
5755,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([O:4][H:7])([H:10])[H:11])[C:5](=[O:6])[H:12])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(2-5)3-6/h2,6H,1,3H2",63.5829,-5.52554,
5756,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[C:2](#[C:3][H:7])[H:6].[O:1]=[C:5]=[N:4][H:8],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,InChI=1S/C2H2.CHNO/c1-2;2-1-3/h1-2H;2H,106.41346999999999,28.415059999999997,
5757,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[N:4]#[C:5][H:8].[O:1]=[C:2]=[C:3]([H:6])[H:7],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,InChI=1S/C2H2O.CHN/c1-2-3;1-2/h1H2;1H,89.12189000000001,22.84771,
5758,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[O+:1]1=[C-:2][C:3]([H:6])([H:7])[N:4]=[C:5]1[H:8],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,"InChI=1S/C3H3NO/c1-2-5-3-4-1/h3H,1H2",64.4331,55.28638,Singlet_Carbene_Intra_Disproportionation
5759,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[O:1]=[C:5]=[N:4][C:3](=[C:2]([H:6])[H:8])[H:7],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,"InChI=1S/C3H3NO/c1-2-4-3-5/h2H,1H2",117.1495,-1.18191,
5760,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[O:1]=[C:2]([C@:3]1([H:7])[N:4]=[C:5]1[H:8])[H:6],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,InChI=1S/C3H3NO/c5-2-3-1-4-3/h1-3H/t3-/m1/s1,87.25365,43.0588,ketoenol
5761,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[O:1]1[C@@:2]2([H:6])[C:3]([H:7])=[N:4][C@@:5]12[H:8],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,"InChI=1S/C3H3NO/c1-2-3(4-1)5-2/h1-3H/t2-,3-/m0/s1",94.56885,70.39657,
5762,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[o+:1]1[c:2]([H:6])[c-:3][n:4]([H:7])[c:5]1[H:8],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,InChI=1S/C3H3NO/c1-2-5-3-4-1/h2-4H,87.50195,49.65143,
5763,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[O:1]=[C:5]([N:4]1[C:2]([H:6])=[C:3]1[H:7])[H:8],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,InChI=1S/C3H3NO/c5-3-4-1-2-4/h1-3H,89.44960999999999,73.5451,ketoenol
5764,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[O-:1][C:2](=[C:3]([N+:4]#[C:5][H:8])[H:7])[H:6],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,InChI=1S/C3H3NO/c1-4-2-3-5/h1-3H,50.46143,46.6868,
5765,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[O:1]1[C:2]([H:6])([H:7])[C-:3]=[N+:4]=[C:5]1[H:8],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,"InChI=1S/C3H3NO/c1-2-5-3-4-1/h3H,2H2",74.33663,64.3214,Singlet_Carbene_Intra_Disproportionation
5766,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[o+:1]1[c:2]([H:6])[c:3]([H:7])[n:4]([H:8])[c-:5]1,InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,"InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-2,4H",71.19704,30.72257,
5767,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[O:1]=[C:5]([N:4]=[C:3]=[C:2]([H:6])[H:7])[H:8],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,"InChI=1S/C3H3NO/c1-2-4-3-5/h3H,1H2",82.05348000000001,21.86898,
5768,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[H:7][H:8].[O:1]=[C:2]1[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H6O.H2/c6-5-3-1-2-4(3)5;/h3-4H,1-2H2;1H/t3-,4+;",91.69768,27.709190000000003,
5769,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]1([H:9])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h5-6H,1-3H2/t5-/m1/s1",62.58951,41.69672,
5770,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C@:3]([C:4][H:10])([H:9])[C@:6]1([C:5]([H:11])([H:12])[H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c1-3-4(2)5(3)6/h1,3-6H,2H3/t3-,4+,5-/m0/s1",81.55699,64.58372,
5771,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]1([C:3][H:9])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h1,4-6H,2-3H2/t4-,5-/m0/s1",122.31546000000002,65.624,
5772,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]1([H:8])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h5-6H,1-3H2",56.69438,34.03747,
5773,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([C:6][H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h1,4-6H,2-3H2/t4-/m1/s1",73.14245,72.0294,
5774,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]1)([H:8])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h5-6H,1-2,4H2/t5-/m0/s1",70.01547,65.83121,
5775,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]=[C:2]([C:6]1([H:14])[C:3]([H:7])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:8],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2",62.89753,-18.73206,
5776,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:4]([C:5]([C:6]1([H:14])[C:2]([H:8])=[C:3]1[H:9])([H:12])[H:13])([H:10])[H:11])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h1-2,5-6H,3-4H2",99.6175,21.477729999999998,
5777,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]=[C:2](/[C:3](=[C:6](\[C:5]([C:4]([H:7])([H:10])[H:11])([H:12])[H:13])[H:14])[H:9])[H:8],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3-",92.05216,-23.67372,
5778,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1](/[C:2](=[C:6](\[C:5]([C:4](=[C:3]([H:9])[H:11])[H:10])([H:12])[H:13])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,4-6H,1,3H2/b5-4-",106.01445,-13.03796,
5779,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])=[C:4]([H:11])[C@@:6]1([H:12])[O:5]2,"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h1-2,4-5H,3H2/t4-,5+",60.43199,24.2541,
5780,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h4-5H,2-3H2/t4-,5+",69.43089,66.56031999999999,Singlet_Carbene_Intra_Disproportionation
5781,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C+:2]([H:9])[C:3]([H:10])=[C-:4][C@:6]1([O:5][H:11])[H:12],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2,5-6H,3H2/t5-/m0/s1",65.33197,48.03355,
5782,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:8])=[C:2]([H:9])[C:3]([H:10])=[C:4]([H:11])[O:5][C:6]1([H:7])[H:12],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-4-6-5-3-1/h1-4H,5H2",62.1084,-9.631260000000001,
5783,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]([C:2](=[C:3]=[C:4]([H:10])[H:11])[H:9])([C:6](=[O:5])[H:12])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h3,5H,1,4H2",70.75663,5.26003,
5784,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3][C@@:4]2([H:11])[O:5][C@@:6]12[H:12],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h4-5H,1-2H2/t4-,5+/m0/s1",67.91955,69.12257,Singlet_Carbene_Intra_Disproportionation
5785,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]([C:6][H:12])([H:11])[O:5]1,"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h1-3,5H,4H2/t5-/m0/s1",115.6568,77.00838,
5786,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[C@@:4]2([H:11])[C@@:6]1([H:12])[O:5]3,"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1",92.2908,35.96966,
5787,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:8])=[C:6]([H:12])[O:5][C:4]([H:11])=[C:3]([H:10])[C:2]1([H:7])[H:9],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-4-6-5-3-1/h2-5H,1H2",62.62098,-12.36377,
5788,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C-:4]=[O+:5][C:6]1([H:11])[H:12],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-4-6-5-3-1/h1-2H,3,5H2",71.4304,35.596,
5789,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:11])[C:3]([H:10])=[C:4]2[O:5][C@@:6]12[H:12],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h2,5H,1,3H2/t5-/m0/s1",111.00612,50.12307,
5790,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1](=[C:2](/[C:3](=[C:4](\[C:6](=[O:5])[H:12])[H:11])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3-",44.05657,-6.2497300000000005,
5791,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C-:5]=[O+:6]1)([H:8])[H:9].[H:7][H:14],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1",InChI=1S/C5H6O.H2/c1-5-3-2-4-6-5;/h1-3H2;1H,113.69826,43.24501,
5792,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2][C@@:5]1([H:14])[C:4]([H:12])([H:13])[C:3]([H:10])([H:11])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h5H,3-4H2,1H3/t5-/m0/s1",107.99648,70.71526,
5793,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]1([O:6][H:14])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5(6)3-2-4-5/h6H,2-3H2,1H3/t5-/m0/s1",65.80009,61.8966,
5794,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:3]([C:4]([C@:5]1([H:14])[C-:2]=[O+:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-2-3-5-4-6-5/h5H,2-3H2,1H3/t5-/m1/s1",116.44769,34.00157,
5795,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C@:5]([C:4]([C:3][H:10])([H:12])[H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-3-5-4(2)6-5/h1,4-5H,3H2,2H3/t4-,5-/m1/s1",82.89667,78.02393000000001,
5796,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:5][H:14])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5(2)3-4-6-5/h1H,3-4H2,2H3/t5-/m0/s1",107.5415,69.26714,
5797,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3",48.525529999999996,-22.028589999999998,
5798,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:6][C:5]1([H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-2-6-5-3-4-5/h5H,3-4H2,1H3",81.72795,40.76801,
5799,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:14])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C-:5]=[O+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,2-3H2,1H3/t5-/m0/s1",60.44538000000001,12.85506,
5800,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:3][H:11])[C@:5]([C:4]([H:10])([H:12])[H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-5(2,3)6-4/h2,4H,1,3H3/t4-,5-/m1/s1",78.89293,67.53856,
5801,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C@:5]([C:4][H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-5(2,3)6-4/h1,4H,2-3H3/t4-/m1/s1",78.33397,66.8111,
5802,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:11])[O:6][C:5](=[C:4]([H:12])[H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-6-5(2)3/h4H,1-2H2,3H3",91.46044,-9.33739,
5803,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1=[O+:6][C-:5]([H:14])[C:4]([H:12])([H:13])[C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h4H,2-3H2,1H3",54.6935,29.057440000000003,
5804,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]12[C:3]([H:11])=[C:4]([H:12])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H6O.H2/c1-5-3-2-4(5)6-5;/h2-4H,1H3;1H/t4-,5+;/m1./s1",132.95361,49.13223,
5805,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([O:6][C@@:5]1([H:14])[C:2][C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-6-5-3-2-4-5/h5H,2-3H2,1H3/t5-/m1/s1",111.08593,80.05391,
5806,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1([O+:6]=[C-:5][H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5(6-2)3-4-5/h2H,3-4H2,1H3",80.83952,49.96287,
5807,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]1([H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3",52.010259999999995,-24.49755,
5808,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C@@:3]2([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:5]1([O+:4]=[C-:3][H:10])[H:11],"InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c1-5-4-2-3-4/h1,4H,2-3H2",78.73074,47.53087,
5809,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C@@:3]2([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:5]1([C:3](=[O:4])[H:10])[H:11],"InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2",51.8718,-25.088060000000002,
5810,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C@@:3]2([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[O+:4][C-:5]1[H:11],"InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c1-2-4-5-3-1/h3-4H,1-2H2",58.15251,28.141609999999996,
5811,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C@@:3]2([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[O:4][C@@:5]1([C:3][H:10])[H:11],"InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c1-4-2-3-5-4/h1,4H,2-3H2/t4-/m1/s1",108.52243,69.97358,
5812,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C@@:3]2([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C-:3]=[O+:4][C:5]1([H:10])[H:11],"InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4+",InChI=1S/C4H6O/c1-2-4-5-3-1/h1-3H2,60.42298,10.93586,
5813,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C@@:3]2([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3][C@:5]1([O:4][H:10])[H:11],"InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c5-4-2-1-3-4/h4-5H,1-2H2/t4-/m0/s1",66.53545,62.80763,
5814,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C@@:3]2([H:10])[O:4][C@@:5]12[H:11],[C:1]([C@@:5]1([H:11])[C@:3]([C:2]([H:6])([H:8])[H:9])([H:10])[O:4]1)[H:7],"InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c1-3-4(2)5-3/h1,3-4H,2H3/t3-,4+/m0/s1",77.90953,65.45416,
5815,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]1[C@:5]([C:4]([H:12])([H:13])[H:14])([H:15])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-3-5-4(2)6-5/h4H,3H2,1-2H3/t4-,5?/m1/s1",110.45331000000002,60.54708,
5816,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([N+:3]([C-:2]([H:10])[H:11])([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-5(2,3)4-6/h4H,1H2,2-3H3",128.14035,79.60445,
5817,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[C:5](=[O:6])[H:15])[H:11])([H:7])([H:8])[H:9].[C:4]([H:10])([H:12])([H:13])[H:14],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C3H5NO.CH4/c1-2-4-3-5;/h2-3H,1H3;1H4/b4-2+;",110.65821000000001,15.730129999999999,
5818,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[N:3](\[C:4]([H:12])([H:13])[H:14])=[C:5](/[O:6][H:8])[H:15],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C2H5NO.C2H4/c1-3-2-4;1-2/h2H,1H3,(H,3,4);1-2H2",61.639630000000004,30.814,Retroene
5819,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:6]/[C:5](=[N:3]/[C:4]([H:12])([H:13])[H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+",73.2012,15.67392,ketoenol
5820,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:6][C:5](=[N+:3]([C-:2]([H:10])[H:11])[C:4]([H:12])([H:13])[H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-5(2)4-6-3/h4H,1H2,2-3H3",102.42522,72.37177,
5821,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C@@:5]1([O:6][H:8])[H:15],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-5-3-2-4(5)6/h4,6H,2-3H2,1H3/t4-/m1/s1",96.25317,29.20536,
5822,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](/[C:2](=[N:3]\[C:4]([H:12])([H:13])[H:14])[H:11])([H:7])([H:8])[H:9].[H:10][H:15],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C3H7N.CO.H2/c1-3-4-2;1-2;/h3H,1-2H3;;1H/b4-3-;;",86.16104,37.97948,
5823,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[N:3]=[C:5](/[O:6][C:4]([H:12])([H:13])[H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-3-5-4-6-2/h4H,3H2,1-2H3/b5-4+",75.88594,16.49969,ketoenol
5824,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N+:3]([C-:4]([H:13])[H:14])([C:5](=[O:6])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-3-5(2)4-6/h4-5H,2-3H2,1H3",91.88725,76.77886,
5825,[N:1]([C:2](=[O:3])[N:4]([H:7])[H:8])([H:5])[H:6],[N:1](=[C:2]=[O:3])[H:5].[N:4]([H:6])([H:7])[H:8],"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)",InChI=1S/CHNO.H3N/c2-1-3;/h2H;1H3,49.27445,16.83907,"1,3_NH3_elimination"
5826,[N:1]([C:2](=[O:3])[N:4]([H:7])[H:8])([H:5])[H:6],[N:1]([C:2]([O:3][H:8])=[N:4][H:7])([H:5])[H:6],"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)","InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)",44.0277,14.09418,ketoenol
5827,[N:1]([C:2](=[O:3])[N:4]([H:7])[H:8])([H:5])[H:6],[N:1]([C@@:2]1([H:7])[O:3][N:4]1[H:8])([H:5])[H:6],"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)","InChI=1S/CH4N2O/c2-1-3-4-1/h1,3H,2H2/t1-/m1/s1",137.33809,80.56596,
5828,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[C:5]=[N:6][H:8].[N:1](=[C:2](/[C:3]([O:4][H:12])([H:10])[H:11])[H:9])\[H:7],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C2H5NO.CHN/c3-1-2-4;1-2/h1,3-4H,2H2;2H/b3-1+;",57.85765,39.83054,
5829,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:2](=[C:5]=[N:6][C:3]([O:4][H:12])([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H6N2O/c4-1-2-5-3-6/h1,6H,3-4H2",84.98371999999999,31.85572,
5830,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1",76.24682,11.648480000000001,
5831,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[C:3]([O:4][H:12])([H:9])([H:10])[H:11].[N:1]([C+:2]=[C:5]=[N-:6])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C2H2N2.CH4O/c3-1-2-4;1-2/h3H2;2H,1H3",71.51661999999999,53.83441,
5832,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:5]1=[N:6][C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H6N2O/c4-3-2(1-6)5-3/h2,6H,1H2,(H2,4,5)/t2-/m1/s1",97.60988,29.1981,
5833,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([N+:6]#[C-:5])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H6N2O/c1-5-3(4)2-6/h3,6H,2,4H2/t3-/m1/s1",50.33031,18.63385,
5834,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[N+:1]([C-:2]([C:5]#[N:6])[H:9])([C:3]([O:4][H:12])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H6N2O/c4-1-2-5-3-6/h2,6H,3,5H2",97.88745,51.8654,
5835,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[C:3](=[O:4])([H:10])[H:11].[N:1]([C:2](=[C:5]=[N:6][H:12])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C2H4N2.CH2O/c3-1-2-4;1-2/h1,4H,3H2;1H2",50.54895,45.09623,Retroene
5836,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:2]([C:3]([O:4][H:12])([H:10])[H:11])=[C:5]=[N:6][H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H6N2O/c4-1-3(5)2-6/h4,6H,2,5H2",87.04359000000001,25.70844,
5837,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[C:3](=[O:4])([H:10])[H:11].[H:8][H:12].[N:1](=[C:2](\[C:5]#[N:6])[H:9])\[H:7],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C2H2N2.CH2O.H2/c3-1-2-4;1-2;/h1,3H;1H2;1H/b3-1-;;",92.35316999999999,47.8471,
5838,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]1([H:7])[C@@:2]([C:5]#[N:6])([H:9])[C:3]1([H:10])[H:11].[O:4]([H:8])[H:12],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H4N2.H2O/c4-1-3-2-5-3;/h3,5H,2H2;1H2/t3-;/m1./s1",87.4326,24.17366,
5839,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C@@:2]([C:3][H:11])([C:5]#[N:6])[H:9])([H:7])[H:8].[O:4]([H:10])[H:12],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H4N2.H2O/c1-3(5)2-4;/h1,3H,5H2;1H2/t3-;/m0./s1",82.4749,1.2848899999999999,
5840,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:2](=[C:3]([H:10])[H:11])[C:5]#[N:6])([H:7])[H:8].[O:4]([H:9])[H:12],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H4N2.H2O/c1-3(5)2-4;/h1,5H2;1H2",63.18244,6.69158,"1,3_Insertion_ROR"
5841,[O:1]=[C:2]([C:3]#[N:4])[H:5],[O:1]([C+:2]=[C:3]=[N-:4])[H:5],InChI=1S/C2HNO/c3-1-2-4/h2H,InChI=1S/C2HNO/c3-1-2-4/h4H,80.035,45.82034,
5842,[O:1]=[C:2]([C:3]#[N:4])[H:5],[C:3](#[N:4])[H:5].[O+:1]#[C-:2],InChI=1S/C2HNO/c3-1-2-4/h2H,InChI=1S/CHN.CO/c2*1-2/h1H;,65.8671,-8.36689,"1,2_Insertion_CO"
5843,[O:1]=[C:2]([C:3]#[N:4])[H:5],[O:1]=[C:2]([N+:4]#[C-:3])[H:5],InChI=1S/C2HNO/c3-1-2-4/h2H,InChI=1S/C2HNO/c1-3-2-4/h2H,42.49736,12.25018,
5844,[O:1]=[C:2]([C:3]#[N:4])[H:5],[O+:1](=[C-:2][H:5])[C:3]#[N:4],InChI=1S/C2HNO/c3-1-2-4/h2H,InChI=1S/C2HNO/c1-4-2-3/h1H,104.4008,77.87528,
5845,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[O:1]([C:2]([C:3]([C-:4]=[C:5]=[C+:6][H:12])([H:9])[H:10])([H:8])[H:11])[H:7],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h1,6H,4-5H2",65.47447,56.54148000000001,
5846,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:11])([C-:4]=[C:5]=[C+:6][H:12])[H:8])[H:7],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-4-5(2)6/h1,5-6H,2H3/t5-/m0/s1",63.11541,54.98335,
5847,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[O:1]=[C:2]([C:3]([C:4](=[C:5]=[C:6]([H:7])[H:12])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h3,5H,1,4H2",24.83135,-17.50564,
5848,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[C:2]1([H:8])=[C:3]([H:10])[C:4]1([C:5]#[C:6][H:12])[H:11].[O:1]([H:7])[H:9],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H4.H2O/c1-2-5-3-4-5;/h1,3-5H;1H2",78.06326999999999,36.05979,
5849,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[O:1]([C:2][C:3]([C:4]([C:5]#[C:6][H:12])([H:8])[H:11])([H:9])[H:10])[H:7],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h1,6H,3-4H2",58.26596,38.91977,
5850,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[O:1](/[C:2](=[C:3](/[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])[H:9])[H:8])[H:7],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h1,4-6H,3H2/b5-4+",71.45559,-8.07369,
5851,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]1=[C:5]=[C:6]([H:11])[H:12])[H:7],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-4-3-5(4)6/h5-6H,1,3H2/t5-/m0/s1",92.47155,7.33975,
5852,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:6]([H:12])=[C:5]=[C:4]1[H:11])[H:7],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,4-6H,3H2/t5-/m0/s1",75.35007,34.18365,
5853,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4](=[C:5]([H:15])[H:16])[H:13])([H:11])[H:12])([O:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-4-5(2)6/h3,5-6H,1,4H2,2H3/t5-/m0/s1",83.83814,11.137830000000001,
5854,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4]([C:5](=[O:6])[H:15])([H:13])([H:14])[H:16],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2H,1H3",91.16868000000001,17.82607,
5855,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C-:5]=[O+:6]1)([H:7])([H:8])[H:9].[H:15][H:16],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H8O.H2/c1-5-3-2-4-6-5;/h5H,2-3H2,1H3;1H/t5-;/m0./s1",81.6741,63.03285,
5856,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]([O:6][C:5]([C:4]([C:3]([H:8])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16])[H:10])([H:7])[H:9],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h4H,2-3,5H2,1H3",106.81178,16.00094,
5857,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:4]([C:5]([O:6][H:12])([H:15])[H:16])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-2-3-4-5-6/h2-3,6H,4-5H2,1H3/b3-2+",80.10365999999999,8.05425,
5858,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1([O:6][C:5]([H:10])([H:15])[H:16])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-5(6-2)3-4-5/h3-4H2,1-2H3",128.15653,26.0581,
5859,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4]([H:13])([H:14])[H:15])([H:11])[H:12])([O+:6]=[C-:5][H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h3,5H,4H2,1-2H3/t5-/m0/s1",81.00173000000001,62.24162,
5860,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:3]([C:2](=[O:6])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h3H,2H2,1H3;1-2H2",100.9809,21.81128,
5861,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C-:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:16])=[O+:6]1.[C:1]([H:7])([H:8])([H:9])[H:15],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C4H6O.CH4/c1-2-4-5-3-1;/h3-4H,1-2H2;1H4",96.04069,71.78833,
5862,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]([O+:6]=[C:5]([C:4]([C:3]([H:11])([H:12])[H:15])([H:13])[H:14])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h4-5H,3H2,1-2H3",118.3265,67.88202,
5863,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([O:6][C:5]1([H:16])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:10])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3",131.97122,27.43235,
5864,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:15])[O:6]1)([H:7])([H:8])[H:9].[H:14][H:16],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H8O.H2/c1-5-3-2-4-6-5;/h2,4-5H,3H2,1H3;1H/t5-;/m0./s1",106.21153000000001,25.21187,
5865,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:6][C:5]([C:4]([C:3]([H:10])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h3,5H2,1-2H3",84.9948,62.08745,
5866,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:11])([H:9])[H:10])([C:5](=[O:6])[H:12])([H:7])[H:8],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2",90.04811,1.57851,
5867,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:5](/[O:6][C:3](=[O:4])[H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c1-2-3-6-4-5/h2-4H,1H3/b3-2+",49.42906,0.48485,ketoenol
5868,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[O:4][O:6][C@@:5]12[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c1-2-3-4(2)6-5-3/h2-4H,1H3/t2-,3+,4-",125.93799999999999,97.68989,
5869,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@@:2]2([H:10])[C@:3]1([H:11])[O:4][C@:5]2([O:6][H:8])[H:12],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c5-4-2-1-3(2)6-4/h2-5H,1H2/t2-,3+,4+/m0/s1",80.12444,33.49364,
5870,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5][O:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c1-4(2-5)3-6/h2,4,6H,1H3/t4-/m0/s1",81.6783,52.804559999999995,
5871,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](/[C:2](=[C:3](/[O:4][H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C3H6O.CO/c1-2-3-4;1-2/h2-4H,1H3;/b3-2+;",40.43873,4.17495,
5872,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[O:6])[H:10])([H:7])([H:8])[H:9].[C:3](=[O:4])([H:11])[H:12],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h2H,1H3;1H2",68.03331999999999,24.63496,
5873,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[O:4][H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-3,5H,1H3/b4-2-",56.45135,1.73488,ketoenol
5874,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:5](\[O:6][H:8])[H:12])[H:10])([C:3](=[O:4])[H:11])([H:7])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1,3-5H,2H2/b3-1-",77.59123000000001,7.81067,
5875,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([O:6]/[C:5](=[C:2](\[C:3](=[O:4])[H:11])[H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c1-6-4-2-3-5/h2-4H,1H3/b4-2-",87.38792,16.98334,ketoenol
5876,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](=[C:2]([C:3](=[O:4])[H:11])[H:10])([H:7])[H:9].[H:8][H:12],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C3H4O.CO.H2/c1-2-3-4;1-2;/h2-3H,1H2;;1H",69.60298,25.90849,
5877,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[O:4][C@:5]1([H:12])[O:6]2)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c1-2-3-5-4(2)6-3/h2-4H,1H3/t2-,3-,4+",72.78876,61.0457,
5878,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@@:2]([C:5](=[O:6])[H:12])([H:10])[C@@:3]1([O:4][H:8])[H:11],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m1/s1",89.15836,12.37182,
5879,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])=[C+:4][N:5]([H:11])[N-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h3-4H,1H3",83.10404,41.94615,
5880,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[N:6][N:5]=[C:4]=[C:3]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-3-5-6-4-2/h1H2,2H3",115.35177,51.09793,
5881,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[N+:6]=[N-:5])([H:7])([H:8])[H:9].[C:3](#[C:4][H:11])[H:10],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3",InChI=1S/C2H2.CH3N3/c1-2;1-3-4-2/h1-2H;1H3,93.28415,66.19436999999999,
5882,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]([C+:3]=[C:4]([N:5]=[N-:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-5-2-3-6-4/h3,5H,1H3",89.65346,49.53832,
5883,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[N:2]=[C:3]([H:10])[C:4]([H:11])=[N:5][N:6]1[H:7],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-2-5-6-3-4-1/h1-2,6H,3H2",69.83115,13.177220000000002,
5884,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N+:2]([C:3](=[C:4]=[N:5][H:11])[H:10])=[N-:6])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6(5)3-2-4/h3-4H,1H3",83.10086,62.01043000000001,
5885,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C@:3]1([H:10])[N:2]=[N:6][N:5]=[C:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2-3H,1H3/t3-/m0/s1",69.18385,20.75028,
5886,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([n:6]1[n:2][c:3]([H:10])[c:4]([H:11])[n:5]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2-3H,1H3",66.07775,-5.589919999999999,
5887,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]#[N+:5][N-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h3H2,1H3",82.69513,76.44731,Singlet_Carbene_Intra_Disproportionation
5888,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([H:10])[H:14])([H:7])([H:8])[H:9].[C:4](=[O:5])=[N:6][H:15],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C3H8.CHNO/c1-3-2;2-1-3/h3H2,1-2H3;2H",80.88022,12.20476,
5889,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C+:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([O-:5])[N:6]([H:14])[H:15].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C3H5NO.CH4/c1-2-3(4)5;/h4H2,1H3;1H4",91.42926,85.88627,
5890,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](/[O:5][C:3]([H:11])([H:12])[H:13])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C4H9NO/c1-3-4(5)6-2/h3H,5H2,1-2H3/b4-3+",102.93526999999999,34.74745,ketoenol
5891,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([O:5][H:10])[N:6]([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C4H9NO/c1-3(2)4(5)6/h6H,5H2,1-2H3",67.27986,23.9503,ketoenol
5892,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C@@:4]([N:6]([H:14])[H:15])([H:10])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C4H9NO/c1-4(2)3(5)6-4/h3H,5H2,1-2H3/t3-/m1/s1",91.81583,35.190909999999995,
5893,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])(/[C:4]([O:5][H:15])=[N:6]\[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)",43.549859999999995,11.23231,ketoenol
5894,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[H:10])([H:7])[H:9].[C:4]([O:5][H:8])[N:6]([H:14])[H:15],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C3H6.CH3NO/c1-3-2;2-1-3/h3H,1H2,2H3;3H,2H2",76.69328,65.2854,
5895,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])/[C:4](=[N:6]/[H:15])[O:5]1)([H:7])([H:8])[H:9].[H:10][H:14],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C4H7NO.H2/c1-4(2)3(5)6-4;/h5H,1-2H3;1H/b5-3-;",93.97735,59.41311999999999,
5896,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])([H:13])[C@:4]1([O:5][H:11])[N:6]([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C4H9NO/c1-3-2-4(3,5)6/h3,6H,2,5H2,1H3/t3-,4+/m0/s1",80.34796,35.8267,
5897,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](/[C:2](=[C:3](/[C:4]([O:5][H:9])([H:12])[H:13])[H:11])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+",60.72385,-9.95702,
5898,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([O:5][C:4]([C:3][H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-3-5-4-2/h1H,3-4H2,2H3",113.68168,78.97178000000001,
5899,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([O+:5]=[C-:4][H:12])([H:11])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-3-4-5-2/h2H,3-4H2,1H3",77.36747,47.29781,
5900,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C@@:3]([C:4][H:12])([O:5][H:13])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-3-4(2)5/h2,4-5H,3H2,1H3/t4-/m1/s1",71.40486999999999,67.64925,
5901,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:3](=[C:2]([H:9])[H:10])[H:11])([H:6])([H:7])[H:8].[C:4](=[O:5])([H:12])[H:13],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H6.CH2O/c1-3-2;1-2/h3H,1H2,2H3;1H2",88.75157,7.402810000000001,
5902,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C-:3]=[O+:5][C:4]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-3-4-5-2/h3H2,1-2H3",74.93326,46.46459,
5903,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:6])[H:7].[C:3]1([H:8])([H:11])[C:4]([H:12])([H:13])[O:5]1,"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1",InChI=1S/C2H4O.C2H4/c1-2-3-1;1-2/h1-2H2;1-2H2,117.36972,27.895970000000002,
5904,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3](=[O+:5][C-:4]([H:12])[H:13])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-3-4-5-2/h4H,2-3H2,1H3",66.37982,53.898959999999995,
5905,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)[H:10])([H:6])[H:7].[H:8][H:9],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H6O.H2/c1-2-4-3-5-4;/h2,4H,1,3H2;1H/t4-;/m0./s1",116.8182,30.84348,
5906,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:5][C:4]([C:3](=[C:2]([H:9])[H:10])[H:11])([H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3",104.89778000000001,2.9402,
5907,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3][C:4]([O:5][H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-2-3-4-5/h5H,2,4H2,1H3",71.43828,67.15235,
5908,[N:1](=[C:2]1[O:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],[N:1](=[C:2](/[O+:3]=[C-:4][H:8])[O:6][C:5]([H:9])([H:10])[H:11])\[H:7],"InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2","InChI=1S/C3H5NO2/c1-5-3(4)6-2/h1,4H,2H3/b4-3-",93.03471,76.58428,
5909,[N:1](=[C:2]1[O:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],[C:4]([C:5](=[O:6])[H:11])([H:8])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2H,1H3;2H",69.82845999999999,-7.1998,
5910,[N:1](=[C:2]1[O:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],[N:1]#[C:2][O:3][C:4]([C:5]([O:6][H:7])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2","InChI=1S/C3H5NO2/c4-3-6-2-1-5/h5H,1-2H2",73.56685999999999,19.09094,
5911,[N:1](=[C:2]1[O:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],[C:4](=[C:5]([H:10])[H:11])([H:8])[H:9].[N:1]1([H:7])[C:2](=[O:6])[O:3]1,"InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2","InChI=1S/C2H4.CHNO2/c1-2;3-1-2-4-1/h1-2H2;(H,2,3)",101.69357,69.1694,
5912,[N:1](=[C:2]1[O:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],[H:8][H:9].[N:1](=[C:2]1/[O+:3]=[C-:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],"InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2","InChI=1S/C3H3NO2.H2/c4-3-5-1-2-6-3;/h4H,1H2;1H/b4-3+;",87.17917,68.99474000000001,
5913,[N:1](=[C:2]1[O:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],[C:5](=[O:6])([H:10])[H:11].[N:1](=[C:2])[H:7].[O:3]=[C:4]([H:8])[H:9],"InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2",InChI=1S/CHN.2CH2O/c3*1-2/h2H;2*1H2,108.65539,60.25464,
5914,[O:1]=[C:2]1[C:3]([H:7])([H:8])[O:4][C:5]([H:9])([H:10])[O:6]1,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:7])[H:8])[H:9],InChI=1S/C3H4O3/c4-3-1-5-2-6-3/h1-2H2,"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2",71.35916,4.26938,
5915,[O:1]=[C:2]1[C:3]([H:7])([H:8])[O:4][C:5]([H:9])([H:10])[O:6]1,[O:1]1[C:2]2([C:3]1([H:7])[H:8])[O:4][C:5]([H:9])([H:10])[O:6]2,InChI=1S/C3H4O3/c4-3-1-5-2-6-3/h1-2H2,InChI=1S/C3H4O3/c1-3(4-1)5-2-6-3/h1-2H2,101.2776,47.315940000000005,
5916,[O:1]=[C:2]1[C:3]([H:7])([H:8])[O:4][C:5]([H:9])([H:10])[O:6]1,[C:5](=[O:6])([H:9])[H:10].[O:1]=[C:2]([C:3](=[O:4])[H:7])[H:8],InChI=1S/C3H4O3/c4-3-1-5-2-6-3/h1-2H2,InChI=1S/C2H2O2.CH2O/c3-1-2-4;1-2/h1-2H;1H2,71.85761,37.59237,
5917,[O:1]=[C:2]1[C:3]([H:7])([H:8])[O:4][C:5]([H:9])([H:10])[O:6]1,[O:1]=[C:2]([C:3]([O+:4]=[C-:5][H:9])([H:7])[H:8])[O:6][H:10],InChI=1S/C3H4O3/c4-3-1-5-2-6-3/h1-2H2,"InChI=1S/C3H4O3/c1-6-2-3(4)5/h1H,2H2,(H,4,5)",83.87579000000001,62.70965,
5918,[O:1]=[C:2]1[C:3]([H:7])([H:8])[O:4][C:5]([H:9])([H:10])[O:6]1,[O:1]([C:2]1=[C:3]([H:8])[O:4][C:5]([H:9])([H:10])[O:6]1)[H:7],InChI=1S/C3H4O3/c4-3-1-5-2-6-3/h1-2H2,"InChI=1S/C3H4O3/c4-3-1-5-2-6-3/h1,4H,2H2",81.95498,30.36538,ketoenol
5919,[O:1]=[C:2]1[C:3]([H:7])([H:8])[O:4][C:5]([H:9])([H:10])[O:6]1,[O:1]=[C:2]([C:3]([O:4][H:10])([H:7])[H:8])[O+:6]=[C-:5][H:9],InChI=1S/C3H4O3/c4-3-1-5-2-6-3/h1-2H2,"InChI=1S/C3H4O3/c1-6-3(5)2-4/h1,4H,2H2",77.66455,67.45369000000001,
5920,[O:1]=[C:2]1[C:3]([H:7])([H:8])[O:4][C:5]([H:9])([H:10])[O:6]1,[H:7][H:8].[O-:1][C:2]1=[C:3]=[O+:4][C:5]([H:9])([H:10])[O:6]1,InChI=1S/C3H4O3/c4-3-1-5-2-6-3/h1-2H2,InChI=1S/C3H2O3.H2/c4-3-1-5-2-6-3;/h2H2;1H,86.76531999999999,72.47804000000001,
5921,[O:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]1=[C:4]=[C:5]([H:10])[H:11].[O:6]([H:7])[H:12],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2","InChI=1S/C4H4O.H2O/c1-2-4-3-5-4;/h1,3H2;1H2",66.86901999999999,28.050890000000003,
5922,[O:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C:4]=[C:5]([O:6][H:12])[H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1,4-6H,3H2",71.74233000000001,-2.14453,
5923,[O:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:4](=[C:3]=[C:2]([H:8])[H:9])[C:5]([O:6][H:12])([H:10])[H:11])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2","InChI=1S/C4H6O2/c1-2-4(6)3-5/h5-6H,1,3H2",66.45147,-5.59187,
5924,[C:1]([N:2]([C:3](=[O:4])[H:10])[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:5](/[O:6][C:3](=[O:4])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4(2-5)3-6/h2-3H,1H3","InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2+",44.47056,19.081979999999998,ketoenol
5925,[C:1]([N:2]([C:3](=[O:4])[H:10])[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1](=[N:2][C:5]([O:6][C:3](=[O:4])[H:10])([H:7])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4(2-5)3-6/h2-3H,1H3","InChI=1S/C3H5NO2/c1-4-2-6-3-5/h3H,1-2H2",102.74003,25.85215,
5926,[C:1]([N:2]([C:3](=[O:4])[H:10])[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](=[N:2][C:3](=[O:4])[H:10])([H:8])[H:9].[H:7][H:11],"InChI=1S/C3H5NO2/c1-4(2-5)3-6/h2-3H,1H3","InChI=1S/C2H3NO.CO.H2/c1-3-2-4;1-2;/h2H,1H2;;1H",88.76811,46.52015,
5927,[C:1]([N:2]([C:3](=[O:4])[H:10])[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](/[N:2]=[C:3](/[O:4][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4(2-5)3-6/h2-3H,1H3","InChI=1S/C2H5NO.CO/c1-3-2-4;1-2/h2H,1H3,(H,3,4);",46.58726,17.938229999999997,
5928,[C:1]([N:2]([C:3](=[O:4])[H:10])[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1]([N:2]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4(2-5)3-6/h2-3H,1H3","InChI=1S/C2H5NO.CO/c1-3-2-4;1-2/h2H,1H3,(H,3,4);",79.75995,7.0728,"1,2_Insertion_CO"
5929,[C:1]([N:2]([C:3](=[O:4])[H:10])[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4]/[C:3](=[N:2]/[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4(2-5)3-6/h2-3H,1H3","InChI=1S/C3H5NO2/c1-6-3-4-2-5/h2-3H,1H3/b4-3+",75.96248,20.38949,ketoenol
5930,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[N:1]([C:2](=[C:3]([H:10])[H:11])[H:9])([H:7])[H:8].[O:4]=[C:5]=[O:6],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C2H5N.CO2/c1-2-3;2-1-3/h2H,1,3H2;",43.57796,-20.608079999999998,2+2_cycloaddition
5931,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[N:1]([C:2]([C:5]([O+:4]=[C-:3][H:11])=[O:6])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C3H5NO2/c1-6-3(5)2-4/h1H,2,4H2",84.9215,60.991890000000005,
5932,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[N:1]([C+:2]=[C:5]([O:4][C:3]([H:9])([H:10])[H:11])[O-:6])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C3H5NO2/c1-6-3(5)2-4/h4H2,1H3",57.4994,35.31873,
5933,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[C-:5]#[O+:6].[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]1)([H:7])[H:8],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C2H5NO.CO/c3-2-1-4-2;1-2/h2H,1,3H2;/t2-;/m1./s1",57.70219,20.88296,
5934,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[N:1]1([H:8])[C@:2]([C:3]([O:4][H:7])([H:10])[H:11])([H:9])[C:5]1=[O:6],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C3H5NO2/c5-1-2-3(6)4-2/h2,5H,1H2,(H,4,6)/t2-/m0/s1",72.06696,25.19041,
5935,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[C:3](=[O:4])([H:10])[H:11].[N:1]([C:2](=[C:5]=[O:6])[H:9])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C2H3NO.CH2O/c3-1-2-4;1-2/h1H,3H2;1H2",56.53904,37.15054,2+2_cycloaddition
5936,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[N:1]([O:6][C:5]1=[C:2]([H:9])[C:3]([H:10])([H:11])[O:4]1)([H:7])[H:8],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C3H5NO2/c4-6-3-1-2-5-3/h1H,2,4H2",123.71906000000001,71.63125,ketoenol
5937,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[H:8][H:9].[N:1](=[C:2]1/[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])\[H:7],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C3H3NO2.H2/c4-2-1-6-3(2)5;/h4H,1H2;1H/b4-2-;",107.61873999999999,26.1469,
5938,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[N:1]([C@@:2]1([H:9])[C@@:5]2([C:3]([H:10])([H:11])[O:4]2)[O:6]1)([H:7])[H:8],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C3H5NO2/c4-2-3(6-2)1-5-3/h2H,1,4H2/t2-,3-/m1/s1",62.658640000000005,43.664390000000004,
5939,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[N:1]([C:2]1=[C:5]([O:6][H:9])[O:4][C:3]1([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h5H,1,4H2",90.90718000000001,32.75707,ketoenol
5940,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[N:1]([O:4][C:3]([C:2](=[C:5]=[O:6])[H:9])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C3H5NO2/c4-6-3-1-2-5/h1H,3-4H2",130.67616,50.84983,
5941,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[N:1]1([H:7])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C@@:5]12[O:6][H:8],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C3H5NO2/c5-3-2(4-3)1-6-3/h2,4-5H,1H2/t2-,3+/m0/s1",77.33825999999999,42.66622,
5942,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[C:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[C:6]([H:12])[H:16])([H:14])[H:15],"InChI=1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3","InChI=1S/C3H6.C3H4/c2*1-3-2/h3H,1H2,2H3;1-2H2",59.44835,21.011979999999998,Retroene
5943,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[C:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:6](=[C:5]=[C:4]([H:14])[H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3","InChI=1S/C6H10/c1-4-5-6(2)3/h5-6H,1H2,2-3H3",106.0776,-1.39494,
5944,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[C:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([H:7])[H:10])([C:6](=[C:5]=[C:4]([H:14])[H:15])[H:16])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3","InChI=1S/C6H10/c1-3-5-6-4-2/h5H,1,4,6H2,2H3",98.94167,0.11234000000000001,
5945,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[C:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])(/[C:4](=[C:5](\[C:6][H:16])[H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3","InChI=1S/C6H10/c1-4-5-6(2)3/h1,4-6H,2-3H3/b5-4-",77.75336,63.76416,
5946,[N:1]([C:2]([C@@:3]([O:4][H:12])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C:3]([O:4][H:12])(=[C:5]=[N:6][H:7])[H:11].[N:1](=[C:2]([H:9])[H:10])[H:8],"InChI=1S/C3H6N2O/c4-1-3(6)2-5/h3,6H,1,4H2/t3-/m1/s1","InChI=1S/C2H3NO.CH3N/c3-1-2-4;1-2/h2-4H;2H,1H2",58.11096,49.933440000000004,Retroene
5947,[N:1]([C:2]([C@@:3]([O:4][H:12])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C:3]([O:4][H:12])([C:5]#[N:6])([H:10])[H:11].[N:1]([C:2][H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(6)2-5/h3,6H,1,4H2/t3-/m1/s1","InChI=1S/C2H3NO.CH3N/c3-1-2-4;1-2/h4H,2H2;1H,2H2",72.95268,60.58577,
5948,[N:1]([C:2]([C@@:3]([O:4][H:12])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]1([H:7])[C:2]([H:9])([H:10])[C@:3]([O:4][H:12])([H:11])[C:5][N:6]1[H:8],"InChI=1S/C3H6N2O/c4-1-3(6)2-5/h3,6H,1,4H2/t3-/m1/s1","InChI=1S/C3H6N2O/c6-3-1-4-5-2-3/h3-6H,1H2/t3-/m1/s1",91.13869,60.419259999999994,
5949,[N:1]([C:2]([C@@:3]([O:4][H:12])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C:3](=[O:4])([C:5]#[N:6])[H:11].[H:7][H:12].[N:1](=[C:2]([H:9])[H:10])[H:8],"InChI=1S/C3H6N2O/c4-1-3(6)2-5/h3,6H,1,4H2/t3-/m1/s1","InChI=1S/C2HNO.CH3N.H2/c3-1-2-4;1-2;/h2H;2H,1H2;1H",91.6727,49.144870000000004,
5950,[N:1]([C:2]([C@@:3]([O:4][H:12])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]1([H:8])[C:2]([H:9])([H:10])[C@@:3]1([C:5]#[N:6])[H:11].[O:4]([H:7])[H:12],"InChI=1S/C3H6N2O/c4-1-3(6)2-5/h3,6H,1,4H2/t3-/m1/s1","InChI=1S/C3H4N2.H2O/c4-1-3-2-5-3;/h3,5H,2H2;1H2/t3-;/m0./s1",86.26326,23.55195,
5951,[N:1]([C:2]([C@@:3]([O:4][H:12])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C+:3]([O:4][H:12])=[C:5]=[N-:6].[N:1]([C:2]([H:9])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(6)2-5/h3,6H,1,4H2/t3-/m1/s1","InChI=1S/C2HNO.CH5N/c3-1-2-4;1-2/h4H;2H2,1H3",73.86165,68.65664,
5952,[N:1]([C:2]([C@@:3]([O:4][H:12])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([C:3]([O:4][H:12])=[C:5]=[N:6][H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(6)2-5/h3,6H,1,4H2/t3-/m1/s1","InChI=1S/C3H6N2O/c4-1-3(6)2-5/h5-6H,1,4H2",87.84595999999999,25.19458,
5953,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[C:2]([C:3]([H:10])([H:11])[H:12])(=[C:4]([H:14])[H:15])[C:5]#[N:6],"InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3","InChI=1S/C4H5N.CH4/c1-4(2)3-5;/h1H2,2H3;1H4",117.92,18.37295,
5954,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[N+:6]#[C-:5])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3","InChI=1S/C5H9N/c1-5(2,3)6-4/h1-3H3",60.52007,19.94463,
5955,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3","InChI=1S/C5H9N/c1-5(2)3-4(5)6/h6H,3H2,1-2H3/b6-4+",106.05733000000001,35.919509999999995,
5956,[O:1]([C:2]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],[H:7][H:10].[O:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:8])[H:9])[H:11],"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2","InChI=1S/C3H6O3.H2/c4-1-3(6)2-5;/h4-5H,1-2H2;1H",75.85292,14.50986,
5957,[O:1]([C:2]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C@:3]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[O:4]1.[O:1]([H:7])[H:11],"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2","InChI=1S/C3H6O2.H2O/c4-1-3-2-5-3;/h3-4H,1-2H2;1H2/t3-;/m1./s1",71.50419000000001,23.73058,
5958,[O:1]([C:2]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],[C:3](=[O:4])([C:5]([O:6][H:14])([H:12])[H:13])[H:10].[H:7][H:11].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2","InChI=1S/C2H4O2.CH2O.H2/c3-1-2-4;1-2;/h1,4H,2H2;1H2;1H",93.59763000000001,37.80127,
5959,[O:1]([C:2]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],[C:2]([H:8])[H:9].[O:1]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])[H:7],"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2","InChI=1S/C2H6O3.CH2/c3-1-2(4)5;/h2-5H,1H2;1H2",119.89272,103.46845,
5960,[O:1]([C:2]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],[C:2](=[C:3]([O:4][H:11])[C:5]([O:6][H:14])([H:12])[H:13])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2","InChI=1S/C3H6O2.H2O/c1-3(5)2-4;/h4-5H,1-2H2;1H2",72.88823000000001,8.06671,"1,3_Insertion_ROR"
5961,[O:1]([C:2]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C@@:3]([O:4][H:11])([H:10])[C@@:5]1([O:6][H:14])[H:12].[O:1]([H:7])[H:13],"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2","InChI=1S/C3H6O2.H2O/c4-2-1-3(2)5;/h2-5H,1H2;1H2/t2-,3+;",102.41964,21.40417,
5962,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([O-:4])[N:5]([C+:6]([H:13])[H:14])[H:12])[H:11])([H:7])([H:8])[H:9].[H:10][H:15],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H7NO.H2/c1-3-4(6)5-2;/h3,5H,2H2,1H3;1H",93.57566,70.34337,
5963,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[N+:5]([C-:6]([H:13])[H:14])([H:12])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-4(6)5-2/h2-3,5H2,1H3",94.04561,79.16699,
5964,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:4]=[C-:3][N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-6-4-5-2/h5H,3H2,1-2H3",103.47605,50.57293,
5965,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3]([O:4][H:7])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C2H5NO.C2H4/c1-3-2-4;1-2/h3-4H,1H3;1-2H2",78.09448,68.23718000000001,
5966,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3]([O:4][H:12])=[N:5]\[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)",43.27231,12.96192,ketoenol
5967,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:5]([C:3](=[O:4])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)",108.96701000000002,0.19142,
5968,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3]([O:4][C:6]([H:13])([H:14])[H:15])=[N:5]\[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-4(5)6-2/h5H,3H2,1-2H3/b5-4+",75.76939,16.03978,ketoenol
5969,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][C:3](=[C:2]([H:10])[H:11])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-4(5-2)6-3/h5H,1H2,2-3H3",102.88741999999999,36.087559999999996,ketoenol
5970,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])/[C:3](=[N:5]/[C:6]([H:13])([H:14])[H:15])[O:4]1)([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H7NO.H2/c1-3-4(5-2)6-3;/h3H,1-2H3;1H/b5-4-;/t3-;/m1./s1",101.00599,64.80654,
5971,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:3]1([N:5]([C:6]([H:13])([H:14])[H:15])[H:12])[C:2]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-4(5-2)3-6-4/h5H,3H2,1-2H3/t4-/m1/s1",116.68002,42.85498,
5972,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:7])([H:8])[H:9].[C:2](=[C:3]=[O:4])([H:10])[H:11],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C2H7N.C2H2O/c1-3-2;1-2-3/h3H,1-2H3;1H2",113.38625,44.50952,
5973,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:10])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-4(6)5-2/h3,5-6H,1-2H3/b4-3-",67.21888,26.0021,ketoenol
5974,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[C:2]1([H:8])=[C:6]([H:14])[C:5]([H:13])=[C:4]([H:11])[C:3]1([H:9])[H:10].[O:1]([H:7])[H:12],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H6.H2O/c1-2-4-5-3-1;/h1-4H,5H2;1H2",62.25573000000001,7.0201899999999995,"1,3_Insertion_ROR"
5975,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1]=[C:2]([C:3]([C:4]([C:5](=[C:6]([H:7])[H:14])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2",80.75225999999999,6.918080000000001,
5976,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1]=[C:2](/[C:6](=[C:5](\[C:4]([C:3]([H:7])([H:9])[H:10])([H:11])[H:12])[H:13])[H:14])[H:8],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3-",80.86489,6.62702,
5977,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:13])([C:6](=[C:5]=[C:4]([H:11])[H:12])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h4-6H,1H2,2H3/t5-/m0/s1",133.34123,24.01559,
5978,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[H:7][H:12].[O:1]1[C@@:2]2([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:13])[C@@:6]12[H:14],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H6O.H2/c1-2-4-5(3-1)6-4;/h1-2,4-5H,3H2;1H/t4-,5+;/m1./s1",92.65401999999999,40.31313,
5979,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1]([C:2]([C:3]([C:4]([C:5](=[C:6])[H:13])([H:11])[H:12])([H:9])[H:10])([H:8])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,6H,3-5H2",82.25581,77.15019000000001,
5980,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H6O.H2/c6-5-3-1-2-4-5;/h1,3H,2,4H2;1H",79.72001999999999,7.837110000000001,
5981,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:6]1([C:5](=[C:4]([H:11])[H:12])[H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c1-2-4-3-5(4)6/h2,4-6H,1,3H2/t4-,5+/m1/s1",84.03053,23.5676,
5982,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1]1[C@@:2]2([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:7])([H:13])[C@@:6]12[H:14],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+",68.24234,8.07121,
5983,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1]=[C:2]([C:6]1([H:14])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1([H:7])[H:13])[H:8],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2",94.4822,9.57192,
5984,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[H:8][H:11].[O:1]([C:2]1=[C:6]([H:14])[C:5]([H:13])=[C:4]([H:12])[C:3]1([H:9])[H:10])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H6O.H2/c6-5-3-1-2-4-5;/h1-3,6H,4H2;1H",58.438269999999996,20.60209,
5985,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1](/[C:2](=[C:6](/[C:5]1([H:13])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h3-6H,1-2H2/b4-3+",81.65873,19.09328,
5986,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1]([C:2]/[C:6](=[C:5](\[C:4]([C:3]([H:8])([H:9])[H:10])([H:11])[H:12])[H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h3-4,6H,2H2,1H3/b4-3-",77.74663000000001,62.35572,
5987,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:13])[C:6]1([H:12])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2",82.71849,0.7676,
5988,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1]([C@@:2]([C:3][H:10])(/[C:6](=[C:5](\[C:4]([H:9])([H:11])[H:12])[H:13])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h2-6H,1H3/b4-3-/t5-/m0/s1",101.5264,95.33245,
5989,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5][C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h5-6H,1,3-4H2/t5-/m0/s1",69.41309,67.9974,Singlet_Carbene_Intra_Disproportionation
5990,[C:1]([C@@:2]1([C:5]#[C:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]([N:4]([C:3][H:11])[H:12])([C:5]#[C:6][H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5(2)4-6-5/h1,6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H7N/c1-4-5(2)6-3/h1,3,5-6H,2H3/t5-/m1/s1",74.91184,32.18079,
5991,[C:1]([C@@:2]1([C:5]#[C:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:4]\[C:3]([H:10])([H:11])[H:12])[C:5]#[C:6][H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5(2)4-6-5/h1,6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H7N/c1-4-5(2)6-3/h1H,2-3H3/b6-5+",66.57812,-9.39989,
5992,[C:1]([C@@:2]1([C:5]#[C:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]=[C:6]([H:13])[N:4]([H:12])[C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5(2)4-6-5/h1,6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h3,6H,4H2,1H3",77.33999,6.845610000000001,
5993,[C:1]([C@@:2]1([C:5]#[C:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]=[C:6]([H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5(2)4-6-5/h1,6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2,6H,4H2,1H3",71.45908,3.5055099999999997,
5994,[C:1]([C@@:2]1([C:5]#[C:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:5]#[C:6][H:13])[H:8])([H:7])[H:9].[C:3](=[N:4][H:12])([H:10])[H:11],"InChI=1S/C5H7N/c1-3-5(2)4-6-5/h1,6H,4H2,2H3/t5-/m1/s1","InChI=1S/C4H4.CH3N/c1-3-4-2;1-2/h1,4H,2H2;2H,1H2",99.67817,11.54073,
5995,[C:1]([C@@:2]1([C:5]#[C:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([N:4]([C-:3]([H:10])[H:11])[H:12])=[C:5]=[C+:6][H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5(2)4-6-5/h1,6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H7N/c1-4-5(2)6-3/h1,6H,3H2,2H3",47.360890000000005,21.401429999999998,
5996,[C:1]([C@@:2]1([C:5]#[C:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([N:4]([C:2](=[C:3]([H:10])[H:11])[C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5(2)4-6-5/h1,6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H7N/c1-4-5(2)6-3/h1,6H,2H2,3H3",90.24689000000001,-8.615089999999999,
5997,[C:1]([C@@:2]1([C:5]#[C:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C-:5]=[C:6]([H:11])[H:13])[C+:3]([H:10])[N:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5(2)4-6-5/h1,6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H7N/c1-3-5(2)4-6-5/h4,6H,1H2,2H3/t5-/m1/s1",122.16452,61.29201,
5998,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])/[C:4]1=[C:5](\[O:6][H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3,6H,2H2,1H3/b4-3+",70.87178,19.22781,ketoenol
5999,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:11])[C-:3]([H:10])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h2-5H,1H3/t4-/m0/s1",67.29777,52.543380000000006,
6000,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2](=[C:3]([H:10])[H:11])[C:4](=[C:5]([O-:6])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5(2)3-4-6/h3-4H,1H2,2H3",36.87127,13.59404,
6001,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C:3](/[N:2]=[C:4](\[C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h3-4H,2H2,1H3/b5-3-",89.65334,-10.522160000000001,
6002,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1](=[N+:2]1[C:3]([H:10])([H:11])[C:4]1=[C:5]([O-:6])[H:13])([H:7])[H:8].[H:9][H:12],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H5NO.H2/c1-5-2-4(5)3-6;/h3H,1-2H2;1H",81.23676999999999,61.012440000000005,
6003,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([N+:2]1([H:13])[C:3]([H:10])([H:11])[C-:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C3H7N.CO/c1-4-2-3-4;1-2/h2,4H,3H2,1H3;",57.97931,53.69924,
6004,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:12])[C:3]([H:10])([H:11])[C:4]1=[C:5]([O-:6])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3,6H,2H2,1H3",72.81253000000001,34.64132,
6005,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]([C:4](=[C:3]([H:10])[H:11])[H:12])[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-3-5(2)4-6/h3-4H,1H2,2H3",75.81667,-25.175179999999997,
6006,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N-:2][C:4](=[C:5]([O+:6]=[C:3]([H:10])[H:11])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-3-4-6-2/h3-4H,2H2,1H3",80.50693000000001,50.89014,
6007,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[N:2]2[C:3]([H:10])([H:11])[C@@:4]2([H:12])[C:5]([H:9])([H:13])[O:6]1,"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-4-2-6-3-5(1)4/h4H,1-3H2/t4-,5?/m0/s1",77.03985,0.07656,
6008,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@:2]2([H:10])[C@@:3]([O:4][H:12])([H:11])[C@:5]12[H:13].[O:6]([H:8])[H:14],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C4H6O.H2O/c5-4-2-1-3(2)4;/h2-5H,1H2;1H2/t2-,3+,4-;",105.2447,25.52307,
6009,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:13])[H:10])([H:7])([H:8])[H:9].[H:12][H:14],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C4H6O2.H2/c1-4(2-5)3-6;/h2-4H,1H3;1H",59.470819999999996,1.6412,
6010,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:6][H:14])([H:7])([H:8])[H:9].[C:2]1([H:10])=[C:5]([H:13])[C:3]1([O:4][H:12])[H:11],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C3H4O.CH4O/c4-3-1-2-3;1-2/h1-4H;2H,1H3",112.17754,45.45326,
6011,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C:5]1)([H:7])([H:8])[H:9].[O:6]([H:13])[H:14],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C4H6O.H2O/c1-3-2-4(3)5;/h3-5H,1H3;1H2/t3-,4+;/m1./s1",83.6057,19.4696,
6012,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3](=[O:4])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C4H6O2.H2/c1-2-3(5)4(2)6;/h2-3,5H,1H3;1H/t2-,3+;/m1./s1",88.89426,30.856540000000003,
6013,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3][O:4][H:12])([C:5]([O:6][H:14])([H:11])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C4H8O2/c1-4(2-5)3-6/h4-6H,2H2,1H3/t4-/m1/s1",54.86731999999999,33.14996,
6014,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:12])[H:11])[C:5]([O:6][H:14])([H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,5-6H,3H2,1H3/b4-2+",65.61759,-11.614130000000001,
6015,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:3]([O:4][H:12])([C:5]([O:6][H:14])([H:10])[H:13])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C4H8O2/c1-2-4(6)3-5/h4-6H,3H2,1H3/t4-/m1/s1",65.60452,64.63011,
6016,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([O:4][H:12])([C:5][O:6][H:14])[H:11])([H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C4H8O2/c1-2-4(6)3-5/h4-6H,2H2,1H3/t4-/m1/s1",56.1486,30.83721,
6017,[C:1]([O:2][C:3]([C:4]#[N:5])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:7])[O:2][C:3]([H:9])([H:10])[C:4][N:5]1[H:8],"InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3","InChI=1S/C3H5NO/c1-2-5-3-4-1/h4H,2-3H2",84.08145,33.40263,
6018,[C:1]([O:2][C:3]([C:4]#[N:5])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[O:2])([H:6])[H:7].[C:3](=[C:4]=[N:5][H:8])([H:9])[H:10],"InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3","InChI=1S/C2H3N.CH2O/c1-2-3;1-2/h3H,1H2;1H2",61.659659999999995,25.335739999999998,Retroene
6019,[C:1]([O:2][C:3]([C:4]#[N:5])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][C:3]([N+:5]#[C-:4])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3","InChI=1S/C3H5NO/c1-4-3-5-2/h3H2,2H3",52.20255,18.875770000000003,
6020,[C:1]([O:2][C:3]([C:4]#[N:5])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][C:4]1=[N:5][C:3]1([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3","InChI=1S/C3H5NO/c1-5-3-2-4-3/h2H2,1H3",97.04299999999999,29.876440000000002,
6021,[C:1]([O:2][C:3]([C:4]#[N:5])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[O:2])([H:6])[H:7].[C:3]1([H:9])([H:10])[C:4]([H:8])=[N:5]1,"InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3","InChI=1S/C2H3N.CH2O/c1-2-3-1;1-2/h1H,2H2;1H2",90.26626,48.63297,
6022,[C:1]([O:2][C:3]([C:4]#[N:5])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[O+:2][C:3](=[C:4]=[N-:5])[H:9])([H:6])[H:7].[H:8][H:10],"InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3","InChI=1S/C3H3NO.H2/c1-5-3-2-4;/h3H,1H2;1H",79.32084,71.82021,
6023,[C:1]([O:2][C:3]([C:4]#[N:5])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:7])[O:2][C:3]([H:9])([H:10])[C:4]1=[N:5][H:8],"InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3","InChI=1S/C3H5NO/c4-3-1-5-2-3/h4H,1-2H2",99.11704,15.830210000000001,
6024,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1](=[C:2](/[C:3](=[C:4](\[C:5]([O:6][H:10])([H:13])[H:14])[H:12])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-4,6H,1,5H2/b4-3-",72.99242,13.166210000000001,
6025,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]([C:2](/[C:3](=[C:4](\[C:5]([O:6][H:7])([H:13])[H:14])[H:12])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h1,3-4,6H,2,5H2/b4-3-",92.4009,85.15301,
6026,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1](=[C:2]([H:9])[H:10])([O:6][C:5]([C:4](=[C:3]([H:8])[H:11])[H:12])([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8O/c1-3-5-6-4-2/h3-4H,1-2,5H2",130.88198,17.79808,
6027,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4][C:5]([H:13])([H:14])[O:6]1,"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2,4-5H2",67.89907,68.17582,Singlet_Carbene_Intra_Disproportionation
6028,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C-:1](=[O+:6][C:5](/[C:4](=[C:3](\[C:2]([H:8])([H:9])[H:10])[H:11])[H:12])([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8O/c1-3-4-5-6-2/h2-4H,5H2,1H3/b4-3-",85.66455,63.886919999999996,
6029,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C-:5]=[O+:6]1.[H:13][H:14],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H6O.H2/c1-2-4-6-5-3-1;/h1-2H,3,5H2;1H",80.7154,68.9657,
6030,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]([C:2]([H:9])([H:10])[H:13])([O:6]/[C:5](=[C:4](\[C:3][H:11])[H:12])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8O/c1-3-5-6-4-2/h1,3,5H,4H2,2H3/b5-3-",125.7337,76.1775,
6031,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C@:1]12([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C@@:5]1([H:13])[O:6]2.[H:7][H:14],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H6O.H2/c1-2-4-5(3-1)6-4;/h1-2,4-5H,3H2;1H/t4-,5+;/m1./s1",140.72554,33.350159999999995,
6032,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2",InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2-5H2,70.81456,70.634,Singlet_Carbene_Intra_Disproportionation
6033,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])([H:8])[C+:2]([H:10])[C:3]([H:11])=[C-:4][C:5]([H:13])([H:14])[O:6]1.[H:9][H:12],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H6O.H2/c1-2-4-6-5-3-1;/h1-2H,4-5H2;1H",117.41792,91.13439,
6034,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:8])=[O+:6][C:5]([H:13])([H:14])[C:4]([H:12])=[C-:3][C:2]1([H:9])[H:10].[H:7][H:11],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H6O.H2/c1-2-4-6-5-3-1;/h2,5H,3-4H2;1H",109.14283,98.12226,
6035,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3](#[C:4][H:12])[H:11].[C:5](=[O:6])([H:13])[H:14],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2",InChI=1S/C2H4.C2H2.CH2O/c3*1-2/h1-2H2;1-2H;1H2,112.63083999999999,65.5949,
6036,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]([H:7])[H:8].[C:2]1([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C4H6O.CH2/c1-2-4-5-3-1;/h1-2H,3-4H2;1H2",125.24951000000001,114.7701,
6037,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])([H:8])[C:4]([C:3](=[C:2]([H:9])[H:10])[H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h2,5H,1,3-4H2",98.88046,22.98798,
6038,[O-:1][C:2](=[C:3]([N+:4]#[N:5])[H:7])[H:6],[O:1]=[C:2]([C:3]#[N+:4][N-:5][H:7])[H:6],InChI=1S/C2H2N2O/c3-4-1-2-5/h1-2H,InChI=1S/C2H2N2O/c3-4-1-2-5/h2-3H,90.61199,34.75466,
6039,[O-:1][C:2](=[C:3]([N+:4]#[N:5])[H:7])[H:6],[O:1]([C:2](=[C:3]=[N+:4]=[N-:5])[H:6])[H:7],InChI=1S/C2H2N2O/c3-4-1-2-5/h1-2H,"InChI=1S/C2H2N2O/c3-4-1-2-5/h2,5H",55.86617,24.59389,
6040,[O:1]=[C:2]1[O:3][C:4]([H:7])([H:8])[C:5]([H:9])([H:10])[O:6]1,[O:1]=[C:2]([O+:3]=[C-:4][H:8])[O:6][C:5]([H:7])([H:9])[H:10],InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2,"InChI=1S/C3H4O3/c1-5-3(4)6-2/h1H,2H3",94.52271,78.39583,
6041,[O:1]=[C:2]1[O:3][C:4]([H:7])([H:8])[C:5]([H:9])([H:10])[O:6]1,[O:1]=[C:2]1[C:5]([H:9])([H:10])[O:6]1.[O:3]=[C:4]([H:7])[H:8],InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2,InChI=1S/C2H2O2.CH2O/c3-2-1-4-2;1-2/h1H2;1H2,107.29613,55.2734,
6042,[O:1]=[C:2]1[O:3][C:4]([H:7])([H:8])[C:5]([H:9])([H:10])[O:6]1,[O:1]=[C:2]=[O:6].[O:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10],InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2,InChI=1S/C2H4O.CO2/c1-2-3-1;2-1-3/h1-2H2;,77.7335,14.189129999999999,
6043,[O:1]=[C:2]1[O:3][C:4]([H:7])([H:8])[C:5]([H:9])([H:10])[O:6]1,[C:4]([C:5](=[O:6])[H:10])([H:7])([H:8])[H:9].[O:1]=[C:2]=[O:3],InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2,"InChI=1S/C2H4O.CO2/c1-2-3;2-1-3/h2H,1H3;",68.84051,-11.34304,
6044,[O:1]=[C:2]1[O:3][C:4]([H:7])([H:8])[C:5]([H:9])([H:10])[O:6]1,[O:1]([C@:2]12[O:3][C@@:4]1([H:8])[C:5]([H:9])([H:10])[O:6]2)[H:7],InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2,"InChI=1S/C3H4O3/c4-3-2(6-3)1-5-3/h2,4H,1H2/t2-,3+/m0/s1",120.92696000000001,59.6047,
6045,[O:1]=[C:2]1[O:3][C:4]([H:7])([H:8])[C:5]([H:9])([H:10])[O:6]1,[C:5](=[O:6])([H:9])[H:10].[O+:1]#[C-:2].[O:3]=[C:4]([H:7])[H:8],InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2,InChI=1S/2CH2O.CO/c3*1-2/h2*1H2;,98.45700000000001,45.87697,
6046,[C:1]([O:2][C:3]([C:4]#[C:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:14])([H:7])([H:8])[H:9].[C:3](=[C:4]=[C:5]=[C:6]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C5H8O/c1-3-4-5-6-2/h5H2,1-2H3","InChI=1S/C4H4.CH4O/c1-3-4-2;1-2/h1-2H2;2H,1H3",70.09517,23.82574,
6047,[C:1]([O:2][C:3]([C:4]#[C:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:7])[H:8].[C:3](=[C:4]=[C:5]([C:6]([H:12])([H:13])[H:14])[H:9])([H:10])[H:11],"InChI=1S/C5H8O/c1-3-4-5-6-2/h5H2,1-2H3","InChI=1S/C4H6.CH2O/c1-3-4-2;1-2/h4H,1H2,2H3;1H2",47.87161,6.56367,Retroene
6048,[C:1]([O:2][C:3]([C:4]#[C:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]=[C:5]([C:6]([H:12])([H:13])[H:14])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5-6-2/h5H2,1-2H3","InChI=1S/C5H8O/c1-3-4-5-6-2/h3,5H,1-2H3",74.27727,-1.49945,
6049,[C:1]([O:2][C:3]([C:4]#[C:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:4](\[C:5][C:6]([H:12])([H:13])[H:14])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5-6-2/h5H2,1-2H3","InChI=1S/C5H8O/c1-3-4-5-6-2/h4-5H,1-2H3/b5-4-",68.55892,43.31284,
6050,[C:1]([O:2][C:3]([C:4]#[C:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:5](=[C:4]=[C:3]([H:10])[H:11])[C:6]([H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5-6-2/h5H2,1-2H3","InChI=1S/C5H8O/c1-4-5(2)6-3/h1H2,2-3H3",66.8623,1.23348,
6051,[C:1]([O:2][C:3]([C:4]#[C:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:5](=[C:4])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5-6-2/h5H2,1-2H3","InChI=1S/C5H8O/c1-5(2)4-6-3/h4H2,1,3H3",53.06418000000001,49.81876,
6052,[C:1]([O:2][C:3]([C:4]#[C:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4](=[C:5]=[C:6]([H:12])[H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5-6-2/h5H2,1-2H3","InChI=1S/C5H8O/c1-3-4-5-6-2/h4H,1,5H2,2H3",80.84306,3.03002,
6053,[C:1]([O:2][C:3]([C:4]#[C:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C-:4]=[C:5]([C+:6]([H:12])[H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5-6-2/h5H2,1-2H3","InChI=1S/C5H8O/c1-3-4-5-6-2/h3H,1,5H2,2H3",80.66181999999999,56.359159999999996,
6054,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[C:5]([H:12])([H:13])[C@@:6]21[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C:4]([H:11])([H:14])[C:5]([H:12])([H:13])[C:6]2,"InChI=1S/C6H8/c1-3-4(1)6-2-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h5-6H,1-2,4H2/t5-,6+/m1/s1",54.36577,17.56401,
6055,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[C:5]([H:12])([H:13])[C@@:6]21[H:14],[C:1]1([H:7])([H:8])[C@@:2]([C:6](=[C:5]([H:12])[H:13])[H:14])([H:9])[C@@:3]1([C:4][H:11])[H:10],"InChI=1S/C6H8/c1-3-4(1)6-2-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-3-6-4-5(6)2/h2-3,5-6H,1,4H2/t5-,6+/m1/s1",59.90857,42.53941,
6056,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[C:5]([H:12])([H:13])[C@@:6]21[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:6]([H:14])[C:5]([H:12])([H:13])[C:4]([H:11])=[C:3]1[H:10],"InChI=1S/C6H8/c1-3-4(1)6-2-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2",48.62622,-56.61356,
6057,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[C:5]([H:12])([H:13])[C@@:6]21[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C:4]([H:11])([H:12])[C@:6]2([C:5][H:13])[H:14],"InChI=1S/C6H8/c1-3-4(1)6-2-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-4-2-5-3-6(4)5/h1,4-6H,2-3H2/t4-,5-,6-/m1/s1",61.63749,53.77697,
6058,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[C:5]([H:12])([H:13])[C@@:6]21[H:14],[C:1]1([H:8])=[C:2]([H:9])[C:3]1([C:4]1([H:11])[C:5]([H:12])=[C:6]1[H:14])[H:10].[H:7][H:13],"InChI=1S/C6H8/c1-3-4(1)6-2-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6+",InChI=1S/C6H6.H2/c1-2-5(1)6-3-4-6;/h1-6H;1H,100.72219,56.70994,
6059,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([N:4]([H:13])[H:14])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:5]([N:4]([H:13])[H:14])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3","InChI=1S/C4H8N2/c1-4(2)3(5)6-4/h1-2H3,(H2,5,6)",87.98208000000001,26.15767,
6060,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([N:4]([H:13])[H:14])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@:2]([C:3]([H:10])([H:11])[H:12])([N:4]([H:13])[H:14])/[C:5]1=[N:6]/[H:7],"InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3","InChI=1S/C4H8N2/c1-4(6)2-3(4)5/h5H,2,6H2,1H3/b5-3+/t4-/m0/s1",107.32678999999999,38.058820000000004,
6061,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([N:4]([H:13])[H:14])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:10])([H:11])[H:12])[N:4]([H:13])[H:14])([H:8])[H:9].[C:5](#[N:6])[H:7],"InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3","InChI=1S/C3H7N.CHN/c1-3(2)4;1-2/h1,4H2,2H3;1H",44.62684,21.677020000000002,
6062,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([N:4]([H:13])[H:14])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C-:2]([N+:4]([C:3]([H:10])([H:11])[H:12])([H:13])[H:14])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3","InChI=1S/C4H8N2/c1-4(3-5)6-2/h6H2,1-2H3",108.38718,56.8073,
6063,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[C:4]([O:5][H:10])[N:6]([H:14])[H:15],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C3H6.CH3NO/c1-3-2;2-1-3/h3H,1H2,2H3;3H,2H2",78.62846,64.39311,
6064,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@:3]1([H:12])[C@@:4]([N:6]([H:14])[H:15])([H:13])[O:5]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO/c1-2-3-4(5)6-3/h3-4H,2,5H2,1H3/t3-,4-/m1/s1",104.66112,41.66106,
6065,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]1([O:5][H:7])[N:6]([H:14])[H:15],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO/c5-4(6)2-1-3-4/h6H,1-3,5H2",86.58677,32.51109,
6066,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O+:5]=[C-:4][N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO/c1-2-3-6-4-5/h2-3,5H2,1H3",102.83605,50.21697,
6067,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](/[C:4]([O:5][H:15])=[N:6]\[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)",43.57139,11.16586,ketoenol
6068,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:6]([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[C:3](=[C:4]=[O:5])([H:12])[H:13],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C2H7N.C2H2O/c2*1-2-3/h2-3H2,1H3;1H2",110.62756999999999,42.22283,
6069,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])/[C:4](=[N:6]/[H:14])[O:5]1)([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:15],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H7NO.H2/c1-2-3-4(5)6-3;/h3,5H,2H2,1H3;1H/b5-4-;/t3-;/m0./s1",101.51975,64.42690999999999,
6070,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[C:4](\[O:5][H:13])[N:6]([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO/c1-2-3-4(5)6/h3,6H,2,5H2,1H3/b4-3-",67.77528000000001,23.98321,ketoenol
6071,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([O:5][H:10])[N:6]([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO/c1-3-2-4(3,5)6/h3,6H,2,5H2,1H3/t3-,4+/m0/s1",84.26397,34.90517,
6072,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4](=[O:5])=[N:6][H:15],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C3H8.CHNO/c1-3-2;2-1-3/h3H2,1-2H3;2H",81.16971,11.3082,
6073,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:5][C:4](=[C:3]([H:12])[H:13])[N:6]([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO/c1-3-6-4(2)5/h2-3,5H2,1H3",99.45725999999999,36.04271,ketoenol
6074,[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6][H:12])[H:8])[H:7],"InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2","InChI=1S/C5H6O/c1-4-2-5(4)3-6/h1,3-5H,2H2/t4-,5+/m1/s1",93.80493,63.36532,
6075,[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C@:2]2([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5][C@:6]12[H:12],"InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2","InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h4-5H,1-2H2/t4-,5+/m1/s1",66.2407,63.694869999999995,
6076,[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:5]1[C:4]([H:10])([H:11])[C:3]([H:8])([H:9])[C:2]([H:7])=[C:6]1[H:12],"InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2",74.33668,-37.60223,
6077,[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:6](=[C:5]=[C:4]([H:10])[H:11])[H:12],"InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2","InChI=1S/C5H6O/c1-3-5-6-4-2/h4-5H,1-2H2",55.78974,20.906370000000003,
6078,[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:5]1=[C:6]([H:12])[C:4]1([H:10])[H:11],"InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2","InChI=1S/C5H6O/c1-2-6-5-3-4-5/h2-3H,1,4H2",91.49383,38.54802,
6079,[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4](=[C:5]=[C:6]([H:10])[H:12])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2","InChI=1S/C5H6O/c1-2-3-4-5-6/h3,5H,1,4H2",78.93647,-0.8183199999999999,
6080,[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[O+:1]#[C-:2],"InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2","InChI=1S/C4H6.CO/c1-3-4-2;1-2/h1H,4H2,2H3;",86.8761,-2.33374,"1,2_Insertion_CO"
6081,[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C@:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:11])=[C:5]=[C:6]1[H:12])[H:10],"InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,4-6H,3H2/t5-/m1/s1",85.32291,51.72041,
6082,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[O+:6][C:5](=[C:4]([N-:3][H:11])[H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-2-6-4-3-5/h2-5H,1H3",84.28164,49.24848,
6083,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C-:2]1[N+:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2,4H,5H2,1H3/t4-/m0/s1",76.48115,56.903240000000004,
6084,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C@@:2]1([H:10])[N+:3]([H:11])([H:13])[C-:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C3H7N.CO/c1-3-2-4-3;1-2/h2-3H,4H2,1H3;/t3-;/m1./s1",61.06064,52.62041,
6085,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]\[C:4]([C:5](=[O:6])[H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h2,4H,3H2,1H3/b5-2-",67.15314000000001,-7.83258,
6086,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N+:3]([H:11])([H:12])[C:4]1=[C:5]([O-:6])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-3,5-6H,1H3/t3-/m1/s1",71.66479,35.66903,
6087,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C+:4]=[C:5]([O-:6])[H:13])[H:11])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h4-5H,2H2,1H3",65.39348000000001,23.06159,
6088,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2][N:3]([C:4]([C:5](=[O:6])[H:13])([H:10])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h4-5H,3H2,1H3",72.07025,31.235129999999998,
6089,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])/[C:4]1=[C:5](/[O:6][H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-3,5-6H,1H3/b4-2+/t3-/m1/s1",69.67961,18.22192,ketoenol
6090,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5][O:6][H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h3-6H,1H3/t3-,4+/m1/s1",80.74278000000001,51.84021,
6091,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C:5](=[O:6])[H:13])([H:7])([H:8])[H:9].[C:2]1([H:10])=[C:4]([H:12])[N:3]1[H:11],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C2H3N.C2H4O/c1-2-3-1;1-2-3/h1-3H;2H,1H3",108.95318999999999,64.89578,
6092,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])[O:6][C:5]([H:13])=[C:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-4-2-3-6-5-4/h2-5H,1H3/t4-/m1/s1",69.06616,24.15374,ketoenol
6093,[C:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)([H:5])([H:6])[H:7],[C:1](=[C:2]([H:6])[H:8])([H:5])[H:7].[C:3](=[O:4])([H:9])[H:10],"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1",InChI=1S/C2H4.CH2O/c2*1-2/h1-2H2;1H2,84.26501,10.67453,
6094,[C:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)([H:5])([H:6])[H:7],[C:1]([C:2]([O+:4]=[C-:3][H:9])([H:8])[H:10])([H:5])([H:6])[H:7],"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O/c1-3-4-2/h2H,3H2,1H3",77.57311,47.2637,
6095,[C:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)([H:5])([H:6])[H:7],[C:1]([C:2](=[O+:4][C-:3]([H:9])[H:10])[H:8])([H:5])([H:6])[H:7],"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O/c1-3-4-2/h3H,2H2,1H3",66.1748,53.64493,
6096,[C:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)([H:5])([H:6])[H:7],[C:1]([C@@:2]([C:3][H:9])([O:4][H:10])[H:8])([H:5])([H:6])[H:7],"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O/c1-3(2)4/h1,3-4H,2H3/t3-/m1/s1",71.36835,67.74516,
6097,[C:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)([H:5])([H:6])[H:7],[C:1]([C:2][C:3]([O:4][H:8])([H:9])[H:10])([H:5])([H:6])[H:7],"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O/c1-2-3-4/h4H,3H2,1H3",70.64995,65.52623,
6098,[C:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)([H:5])([H:6])[H:7],[C:1](=[C:2]1[C:3]([H:9])([H:10])[O:4]1)([H:5])[H:7].[H:6][H:8],"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1",InChI=1S/C3H4O.H2/c1-3-2-4-3;/h1-2H2;1H,113.4813,36.3085,
6099,[C:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)([H:5])([H:6])[H:7],[C:1]([C-:2]=[O+:4][C:3]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7],"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1",InChI=1S/C3H6O/c1-3-4-2/h1-2H3,75.25674000000001,36.975590000000004,
6100,[C:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)([H:5])([H:6])[H:7],[C:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])([H:5])([H:6])[H:7],"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3",63.87222,-20.87148,
6101,[C:1]([C:2]([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3](=[C:4]=[C:5]([H:12])[H:13])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3","InChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3",79.88923,-1.6404400000000001,
6102,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C-:1]1=[O+:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12].[H:7][H:8],"InChI=1S/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H4O2.H2/c1-3-4(6-3)2-5-1;/h3-4H,1H2;1H/t3-,4+;/m1./s1",84.62369,69.81973,
6103,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O+:5]=[C-:6]1,"InChI=1S/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H2/t3-,4+",InChI=1S/C4H6O2/c1-2-6-4-3-5-1/h1-3H2,72.74077,39.58105,
6104,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C:4][C@:6]1([O:5][H:11])[H:12],"InChI=1S/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h4-5H,2-3H2/t4-/m1/s1",66.52739,58.422059999999995,
6105,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[O:5][C@@:6]1([C:4][H:11])[H:12],"InChI=1S/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c1-4-2-5-3-6-4/h1,4H,2-3H2/t4-/m1/s1",107.83221999999999,74.75913,
6106,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:8])=[C:6]([H:12])[C@@:4]([O:5][H:7])([H:11])[C:3]([H:9])([H:10])[O:2]1,"InChI=1S/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-2,4-5H,3H2/t4-/m0/s1",63.50611,-15.25245,
6107,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]([H:10])[C-:4]=[O+:5]1,"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-2-5-3-4-1/h4H,1-2H2",67.61731,26.04991,
6108,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1]([C:2]([N+:3]#[C-:4])([H:8])[H:9])([O:5][H:10])([H:6])[H:7],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-4-2-3-5/h5H,2-3H2",71.89947,17.18976,
6109,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1](/[C:2](=[N:3]\[C:4](=[O:5])[H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-2-4-3-5/h2-3H,1H3/b4-2-",64.39078,-0.37723,
6110,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C-:1]([O+:5]=[C:4]([N:3]=[C:2]([H:8])[H:9])[H:10])([H:6])[H:7],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-4-3-5-2/h3H,1-2H2",88.7436,74.46805,
6111,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1](=[C:2]([H:8])[H:9])([H:6])[H:7].[N:3](=[C:4]=[O:5])[H:10],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2",InChI=1S/C2H4.CHNO/c1-2;2-1-3/h1-2H2;2H,74.56873,-0.4054,
6112,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1]([C:2](=[N+:3]=[C-:4][H:10])[H:8])([O:5][H:9])([H:6])[H:7],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-4-2-3-5/h1-2,5H,3H2",90.27922,50.61611,
6113,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1]1([H:6])([H:7])[C@:4]([N:3]=[C:2]([H:8])[H:9])([H:10])[O:5]1,"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-4-3-2-5-3/h3H,1-2H2/t3-/m0/s1",71.8224,30.71107,
6114,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1]([O:5][C:4](=[N+:3]=[C-:2][H:8])[H:10])([H:6])([H:7])[H:9],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-4-3-5-2/h1,3H,2H3",80.67412,56.97576,
6115,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1]([C:2]([H:7])([H:8])[H:9])(=[O:5])[H:6].[N:3]#[C:4][H:10],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C2H4O.CHN/c1-2-3;1-2/h2H,1H3;1H",82.21875,8.72338,
6116,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1]1([H:6])([H:7])[C-:2]=[N+:3]=[C:4]([H:10])[O:5]1.[H:8][H:9],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H3NO.H2/c1-2-5-3-4-1;/h3H,2H2;1H",91.74174000000001,77.47803,
6117,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1]1([H:6])([H:7])[C:2]([H:8])=[N:3][C:4]([H:9])([H:10])[O:5]1,"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-2-5-3-4-1/h1H,2-3H2",105.58918999999999,7.664219999999999,
6118,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1](=[O:5])([H:6])[H:7].[C:2](=[N+:3]=[C-:4][H:10])([H:8])[H:9],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C2H3N.CH2O/c1-3-2;1-2/h1H,2H2;1H2",75.3242,66.75851,
6119,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C-:1](=[O+:5]/[C:4](=[N:3]\[C:2]([H:6])([H:8])[H:9])[H:10])[H:7],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-4-3-5-2/h2-3H,1H3/b4-3-",86.42081,78.15181,
6120,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]1[C:4](=[O:5])[H:10],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2",59.57289,15.26169,ketoenol
6121,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1]1([H:6])([H:7])[C-:2]([H:8])[N:3]([H:9])[C:4]([H:10])=[O+:5]1,"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-2-5-3-4-1/h1,3-4H,2H2",82.08318,55.19398,
6122,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C-:1]1=[O+:5][C:4]([H:10])=[N:3][C:2]1([H:8])[H:9].[H:6][H:7],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H3NO.H2/c1-2-5-3-4-1;/h3H,1H2;1H",87.7323,68.44636,
6123,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1](=[O:5])([H:6])[H:7].[C:2]1([H:8])([H:9])[N:3]=[C:4]1[H:10],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C2H3N.CH2O/c1-2-3-1;1-2/h1H,2H2;1H2",107.16897,57.37185,
6124,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C-:1]1([H:7])[C:2]([H:8])([H:9])[N:3]([H:6])[C:4]([H:10])=[O+:5]1,"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-2-5-3-4-1/h2-4H,1H2",82.48786,64.01648,
6125,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[N:1]#[C:2][C@@:3]([C:4]([O:5][H:11])([H:8])[H:9])([C:6][H:10])[H:7],"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2","InChI=1S/C4H5NO/c1-4(2-5)3-6/h1,4,6H,3H2/t4-/m0/s1",78.18028000000001,73.85744,
6126,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[H:10][H:11].[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O+:5]=[C-:6]1,"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2","InChI=1S/C4H3NO.H2/c5-1-4-2-6-3-4;/h4H,2H2;1H/t4-;/m0./s1",87.49428,69.55483000000001,
6127,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[N:1]#[C:2][C:3](=[C:4]([H:8])[H:9])[H:7].[O:5]=[C:6]([H:10])[H:11],"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2","InChI=1S/C3H3N.CH2O/c1-2-3-4;1-2/h2H,1H2;1H2",59.114869999999996,5.81815,2+2_cycloaddition
6128,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[N:1]#[C:2][C:3]([C:6]([O+:5]=[C-:4][H:8])([H:10])[H:11])([H:7])[H:9],"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2","InChI=1S/C4H5NO/c1-6-4-2-3-5/h1H,2,4H2",85.9382,50.38584,
6129,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[H:7][H:11].[N:1]#[C:2][C:3]1=[C:6]([H:10])[O:5][C:4]1([H:8])[H:9],"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2","InChI=1S/C4H3NO.H2/c5-1-4-2-6-3-4;/h2H,3H2;1H",104.47804000000001,28.91205,
6130,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[N:1](=[C:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2","InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h5H,2-3H2",96.17934,26.348259999999996,
6131,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[H:8][H:10].[N:1]#[C:2][C:3]1([H:7])[C-:4]([H:9])[O+:5]=[C:6]1[H:11],"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2",InChI=1S/C4H3NO.H2/c5-1-4-2-6-3-4;/h2-4H;1H,91.54663000000001,89.87951,
6132,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[N+:1](#[C-:2])[C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2","InChI=1S/C4H5NO/c1-5-4-2-6-3-4/h4H,2-3H2",60.27496,21.64772,
6133,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:6]([O+:5]=[C-:4][H:11])([H:13])[H:14])([H:10])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C4H8O2/c1-6-4-2-3-5/h1,5H,2-4H2",84.45012,46.59353,
6134,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4]([O:5][H:14])([H:11])[H:12])([C:6][H:13])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C4H8O2/c1-4(2-5)3-6/h1,4-6H,2-3H2",77.39948000000001,73.21679,
6135,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4]([O:5][H:10])([H:11])[H:12])=[C:6]([H:13])[H:14])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C4H8O2/c1-4(2-5)3-6/h5-6H,1-3H2",90.5886,-9.8812,
6136,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[H:10][H:13].[O:1]([C:2]([C:3]1=[C:6]([H:14])[O:5][C:4]1([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C4H6O2.H2/c5-1-4-2-6-3-4;/h2,5H,1,3H2;1H",114.10274,32.578309999999995,
6137,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[H:13][H:14].[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[O+:5]=[C-:6]1)([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C4H6O2.H2/c5-1-4-2-6-3-4;/h4-5H,1-2H2;1H/t4-;/m0./s1",85.58408,66.89506,
6138,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C@:2]1([H:9])[C@@:3]([C:6]([O:5][H:8])([H:13])[H:14])([H:10])[C:4]1([H:11])[H:12])[H:7],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1",100.25763,-6.50666,
6139,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:3]1([H:8])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14].[O:1]([C:2][H:9])[H:7],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2",InChI=1S/C3H6O.CH2O/c1-2-4-3-1;1-2/h1-3H2;1-2H,85.82218,70.00368,
6140,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3][C:6]([O:5][C:4]([H:10])([H:11])[H:12])([H:13])[H:14])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C4H8O2/c1-6-4-2-3-5/h5H,3-4H2,1H3",84.55105,69.35011,
6141,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[H:8][H:13].[O:1]([C@:2]1([H:9])[C@@:3]2([H:10])[C:4]([H:11])([H:12])[O:5][C@@:6]12[H:14])[H:7],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C4H6O2.H2/c5-3-2-1-6-4(2)3;/h2-5H,1H2;1H/t2-,3-,4-;/m1./s1",109.7862,40.83145,
6142,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:3](=[C:4]([H:11])[H:12])([C:6]([O:5][H:7])([H:13])[H:14])[H:10].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2,4H,1,3H2;1H2",74.7015,6.9005399999999995,2+2_cycloaddition
6143,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[H:7][H:8].[O:1]=[C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:9],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C4H6O2.H2/c5-1-4-2-6-3-4;/h1,4H,2-3H2;1H",85.56809,18.1964,
6144,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][o:6]1)([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])=[N:5][O:6]1)\[H:7],"InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h2,4H,1H2/b4-3-",77.30944000000001,10.535,
6145,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][o:6]1)([H:7])[H:8],[N:1](=[c:2]1\[c:3]([H:9])[c:4]([H:10])[n:5]([H:7])[o:6]1)\[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2,4-5H/b4-3+",108.77226999999999,19.87434,
6146,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][o:6]1)([H:7])[H:8],[N:1]([C:2](=[C:3]=[C:4]([N:5]=[O:6])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-2-1-3-5-6/h2-3H,4H2",82.35113,62.14564,
6147,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][o:6]1)([H:7])[H:8],[N:1]([C:2]([C:3](=[C:4]=[N:5][H:10])[H:9])=[O:6])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1,4H,(H2,5,6)",47.54809,-19.17074,
6148,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][o:6]1)([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[C@@:4]1([N:5]=[O:6])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-2-1-3(2)5-6/h1,3H,4H2/t3-/m0/s1",90.4724,70.56156999999999,ketoenol
6149,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][o:6]1)([H:7])[H:8],[N:1]([C:2]([C@:3]1([H:9])[C:4]([H:10])=[N:5]1)=[O:6])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3(6)2-1-5-2/h1-2H,(H2,4,6)/t2-/m0/s1",57.277609999999996,3.31435,ketoenol
6150,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[H:7][H:10].[O:1]=[C:2]([C:3]1([H:9])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:8],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2/c6-4-5-2-1-3-5;/h4-5H,1-3H2;1H",92.60386,16.92464,
6151,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14].[O:1]([C:2]([C:3](=[C:4]([H:11])[H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h2,4H,1,3H2;1-2H2",97.28473000000001,20.84533,
6152,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[H:8][H:16].[O:1](/[C:2](=[C:3](\[C:6]1([H:15])[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])[H:10])[H:9])[H:7],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2/c6-4-3-5-1-2-5;/h3-6H,1-2H2;1H/b4-3-;",109.52861999999999,26.304190000000002,
6153,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14].[O:1](/[C:2](=[C:3](/[C:4]([H:8])([H:11])[H:12])[H:10])[H:9])[H:7],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h2-4H,1H3;1-2H2/b3-2+;",110.48024,15.24039,
6154,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[C:2](=[C:3]1[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2",InChI=1S/C5H8.H2O/c1-5-3-2-4-5;/h1-4H2;1H2,69.99025,9.87984,"1,3_Insertion_ROR"
6155,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[C:2]([H:8])[H:9].[O:1]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C4H8O.CH2/c5-4-2-1-3-4;/h4-5H,1-3H2;1H2",121.59794,108.75341,
6156,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](/[C:4]([C:5]([C:6]([H:8])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])[H:10])[H:9])[H:7],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-2-3-4-5-6/h4-6H,2-3H2,1H3/b5-4+",88.37574000000001,-7.0933,
6157,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4]([C:5]([C:6]([H:7])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])[H:10])[H:9],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3",80.39365,-15.7314,
6158,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[H:8][H:12].[O:1]([C@:2]1([H:9])[C@:3]2([H:10])[C@@:4]1([H:11])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])[H:7],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2/c6-5-3-1-2-4(3)5;/h3-6H,1-2H2;1H/t3-,4+,5+;",110.6045,37.457809999999995,
6159,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]([C:4]([H:11])([H:12])[H:13])([C:6]([C:5][H:14])([H:15])[H:16])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-3-5(2)4-6/h1,5-6H,3-4H2,2H3/t5-/m0/s1",83.47015999999999,78.4214,
6160,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[C:3]1([C:6]([H:7])([H:15])[H:16])([H:10])[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C4H8.CH2O/c1-4-2-3-4;1-2/h4H,2-3H2,1H3;1H2",93.05349,17.02865,
6161,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[C:3]1([H:8])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16].[O:1]([C:2][H:9])[H:7],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2",InChI=1S/C4H8.CH2O/c1-2-4-3-1;1-2/h1-4H2;1-2H,87.19735,75.55394,
6162,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([C@:4]1([H:13])[C:5]([H:8])=[N:6]1)([H:11])[H:12])[H:10])([H:7])[H:9],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N/c1-2-3-5-4-6-5/h2,4-5H,1,3H2/t5-/m1/s1",91.98136,42.28865,
6163,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C+:2]1[C:3]([H:11])([H:12])[C@:4]1([C-:5]=[N:6][H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N/c1-4-2-5(4)3-6/h5-6H,2H2,1H3/t5-/m0/s1",133.55881000000002,88.26565,
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6166,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([C:4](=[C:5]=[N:6][H:8])[H:13])([H:11])[H:12])[H:10])([H:7])[H:9],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N/c1-2-3-4-5-6/h2,4,6H,1,3H2",53.99349,22.682010000000002,
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6169,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C+:4]=[C:5]=[N-:6])([H:11])[H:12])([H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H2,1H3",67.15361999999999,68.01937,
6170,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:4]([C:3]([C:2][H:10])([H:11])[H:12])([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N/c1-3-5(2)4-6/h1,5H,3H2,2H3/t5-/m0/s1",109.26017,75.99757,
6171,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1=[C:5]=[N:6][H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4,6H,2H2,1H3/t4-/m0/s1",104.75325,33.5125,
6172,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:8])[H:10])([H:7])[H:9].[C:3](=[C:4]([C:5]#[N:6])[H:13])([H:11])[H:12],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C3H3N.C2H4/c1-2-3-4;1-2/h2H,1H2;1-2H2",83.17806,22.19066,
6173,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([N+:6]#[C-:5])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N/c1-4-3-5(4)6-2/h4-5H,3H2,1H3/t4-,5+/m0/s1",62.05296,23.834670000000003,
6174,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C:4]([C:5]#[N:6])([H:10])[H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H2,1H3",72.68919,65.01348,
6175,[C:1]([C:2]#[C:3][C:4]#[N:5])([H:6])([H:7])[H:8],[C:1]([C:2](=[C-:3])[N+:5]#[C:4])([H:6])([H:7])[H:8],InChI=1S/C4H3N/c1-2-3-4-5/h1H3,InChI=1S/C4H3N/c1-4(2)5-3/h1H3,94.9316,83.02426,
6176,[C:1]([C:2]#[C:3][C:4]#[N:5])([H:6])([H:7])[H:8],[C:1](=[C:2]=[C:3]=[C:4]=[N:5][H:7])([H:6])[H:8],InChI=1S/C4H3N/c1-2-3-4-5/h1H3,"InChI=1S/C4H3N/c1-2-3-4-5/h5H,1H2",90.45872,30.887629999999998,
6177,[C:1]([C:2]#[C:3][C:4]#[N:5])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3])[C:4]#[N:5])([H:6])([H:7])[H:8],InChI=1S/C4H3N/c1-2-3-4-5/h1H3,InChI=1S/C4H3N/c1-4(2)3-5/h1H3,55.5132,57.34008000000001,
6178,[C:1]([O:2][C:3]([H:7])([H:8])[H:9])([H:4])([H:5])[H:6],[C-:1]([O+:2]=[C:3]([H:7])[H:9])([H:5])[H:6].[H:4][H:8],InChI=1S/C2H6O/c1-3-2/h1-2H3,InChI=1S/C2H4O.H2/c1-3-2;/h1-2H2;1H,84.45286999999999,82.85218,
6179,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[C:2]12=[C:3]([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14].[O:1]([H:7])[H:8],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H6.H2O/c1-2-5-3-4(1)5;/h3-4H,1-2H2;1H2/t4-;/m1./s1",89.40535,69.71852,
6180,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C@@:2]1([H:10])[C:3]([H:8])([H:9])[C:4][C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h5-6H,1,3-4H2/t5-/m1/s1",62.85791,41.758359999999996,
6181,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5-6H,1-3H2",69.71663000000001,-12.16575,
6182,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:3]([C@:4]1([H:10])[C:2][C:6]([H:13])([H:14])[C:5]1([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h5-6H,1-2,4H2/t5-/m0/s1",127.0959,57.486019999999996,
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6185,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C@:2]1([H:9])[C@:4]([C:3][H:8])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h1,4-6H,2-3H2/t4-,5-/m0/s1",68.86887,67.55412,
6186,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C@:2]1([H:14])[C:3]([H:8])([H:9])[C@:4]1([C:5]([C:6][H:13])([H:11])[H:12])[H:10])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-4-3-5(4)6/h1,4-6H,2-3H2/t4-,5-/m1/s1",84.5999,78.68803,
6187,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:2]1([C:3]([C:4][H:10])([H:8])[H:9])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-5(6)3-4-5/h1,6H,2-4H2",78.25869,77.10692,
6188,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:2][C:4]1([H:10])[C:3]([H:8])([H:9])[C:6]([H:13])([H:14])[C:5]1([H:11])[H:12])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h5-6H,1-3H2",109.31096000000001,37.90429,
6189,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C@:2]1([C:6]([C:5]([H:10])([H:11])[H:12])([H:13])[H:14])[C:3]([H:8])([H:9])[C:4]1)[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-5(6)3-4-5/h6H,2-3H2,1H3/t5-/m1/s1",77.80385,69.88678,
6190,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[C:2]12=[C:4]([C:3]1([H:8])[H:9])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14].[O:1]([H:7])[H:10],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1",InChI=1S/C5H6.H2O/c1-2-5-3-4(1)5;/h1-3H2;1H2,96.68245999999999,75.35859,
6191,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C@:4]1([C:5]([C:6]([H:7])([H:13])[H:14])([H:11])[H:12])[H:10],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-4-3-5(4)6/h4H,2-3H2,1H3/t4-/m1/s1",76.4986,-4.5536900000000005,
6192,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]=[C:2]1[C@:4]([C:3]([H:7])([H:8])[H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1",61.60824,-26.2368,
6193,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2",84.16863000000001,29.17428,
6194,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4][C:5]([O:6][H:12])([H:13])[H:14])[H:11],"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h5-6H,1-2,4H2",67.09691,48.26345,
6195,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]([C:5][H:13])([O:6][H:14])[H:12])[H:11],"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h1,4-6H,2-3H2/t4-/m1/s1",71.32464,67.04862,
6196,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]([O+:6]=[C-:5][H:13])([H:12])[H:14])[H:11],"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C5H8O/c1-6-4-5-2-3-5/h1,5H,2-4H2",78.03835,47.17315,
6197,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1=[C:4]([C:5]([O:6][H:11])([H:13])[H:14])[H:12],"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h3,6H,1-2,4H2",69.32448000000001,-0.8332299999999999,
6198,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C-:4]=[O+:6][C:5]([H:12])([H:13])[H:14])[H:11],"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C5H8O/c1-6-4-5-2-3-5/h5H,2-3H2,1H3",71.88158,32.13883,
6199,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([O:6][C:5]([C:4][H:12])([H:13])[H:14])[H:11],"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C5H8O/c1-2-6-5-3-4-5/h1,5H,2-4H2",115.4485,81.46892,
6200,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C:1]([C:2]([H:9])([H:10])[H:11])([C:3][C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])[H:8],"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C5H8O/c1-2-3-5-4-6-5/h5H,2,4H2,1H3/t5-/m0/s1",69.68089,60.720780000000005,
6201,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C-:1]1([H:7])[C:2]([H:9])([H:10])[C@@:3]1([C:4]1=[O+:6][C:5]1([H:13])[H:14])[H:11].[H:8][H:12],"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C5H6O.H2/c1-2-4(1)5-3-6-5;/h1,4H,2-3H2;1H/t4-;/m1./s1",131.68766000000002,97.83281,
6202,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][C:6]([C:5]([C:4]([H:10])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h3-4H2,1-2H3",68.35435,35.02453,
6203,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]1=[C:4]([H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C5H8O.H2/c1-6-5-3-2-4-5;/h3H,2,4H2,1H3;1H",107.00437,26.79648,
6204,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:6]([H:15])[H:16])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C3H6O.C2H4/c1-3-4-2;1-2/h3H,1H2,2H3;1-2H2",92.2229,20.195439999999998,
6205,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]1[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])[H:9].[H:8][H:10],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3",InChI=1S/C5H8O.H2/c1-6-5-3-2-4-5;/h1-4H2;1H,83.24406,81.24421,
6206,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2][H:15])([H:7])([H:8])[H:9].[C:3]1([H:10])=[C:6]([H:16])[C:5]([H:13])([H:14])[C:4]1([H:11])[H:12],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C4H6.CH4O/c1-2-4-3-1;1-2/h1-2H,3-4H2;2H,1H3",71.54524,21.3567,"1,3_Insertion_ROR"
6207,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:4]([C:5]([C:6]([H:8])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])[H:10])([H:7])[H:9],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h5H,2-4H2,1H3",84.271,51.317,
6208,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][H:10])([H:7])([H:8])[H:9].[C:4]1([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C3H6.C2H4O/c1-2-3-1;1-3-2/h1-3H2;1H,2H3",108.64471,75.2832,
6209,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:14].[O:2]=[C:3]([C:4]([C:5](=[O:6])[H:13])([H:11])[H:12])[H:10],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C3H4O2.CH4/c4-2-1-3-5;/h2-3H,1H2;1H4",68.11539,-19.6003,
6210,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([C:5][O:6][H:14])([H:11])[H:12])([H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h5H,2,4H2,1H3",61.147490000000005,36.01783,
6211,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C@@:5]([C:4]([H:8])([H:11])[H:12])([O:6][H:14])[H:13])[H:10])([H:7])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h3-5H,2H2,1H3/t4-/m1/s1",79.69377,44.519420000000004,
6212,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][H:11])([H:7])([H:8])[H:9].[C:3]1([H:10])=[C:4]([H:12])[C:5]1([O:6][H:14])[H:13],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C3H4O.CH4O/c4-3-1-2-3;1-2/h1-4H;2H,1H3",76.4893,34.52024,
6213,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5][O:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h4-5H,1-2H3/t4-/m0/s1",57.0869,30.0648,
6214,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]([C:4]([O:6][H:14])([H:11])[H:12])([C:5][H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h1,4-5H,3H2,2H3/t4-/m1/s1",99.39131,72.86381999999999,
6215,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:4]([C:5](=[O:6])[H:13])([H:11])[H:12])[H:10])([H:7])[H:9].[H:8][H:14],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2.H2/c1-6-4-2-3-5;/h3-4H,1-2H2;1H",92.62569,61.16903000000001,
6216,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]1)([H:7])([H:8])[H:9].[O:6]([H:13])[H:14],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O.H2O/c1-5-4-2-3-4;/h4H,2H2,1H3;1H2/t4-;/m0./s1",83.1247,21.0789,
6217,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:4](\[C:5]([O:6][H:14])([H:11])[H:13])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h2,4-5H,3H2,1H3/b4-2-",66.94395,-7.71921,
6218,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@@:5]12[H:13].[O:6]([H:8])[H:14],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O.H2O/c1-3-2-5-4(1)3;/h3-4H,1-2H2;1H2/t3-,4-;/m0./s1",107.1417,15.950829999999998,
6219,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][C:4]([C:5]([O:6][H:14])([H:10])[H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h5H,2-3H2,1H3",53.931000000000004,29.159390000000002,
6220,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:5](\[O:6][H:14])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4]([H:11])[H:12],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C3H6O2.CH2/c1-5-3-2-4;/h2-4H,1H3;1H2/b3-2-;",95.15460999999999,100.019,1+2_Cycloaddition
6221,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]1([H:10])[C:4]([H:12])=[C:5]1[H:13])([H:7])([H:8])[H:9].[O:6]([H:11])[H:14],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O.H2O/c1-5-4-2-3-4;/h2-4H,1H3;1H2",72.28525,31.160390000000003,
6222,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C:4]([C@:5]([C:3][H:10])([O:6][H:14])[H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h1,4-5H,3H2,2H3/t4-/m0/s1",97.47423,73.0338,
6223,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]=[C:2](/[C:3](=[C:4]([C:5](=[N:6]\[H:11])\[H:10])/[H:9])[H:7])[H:8],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1-5H/b2-1-,5-3+",56.63865,33.1428,
6224,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C-:5]=[N+:6]1[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h5H,1-2H2",58.22466,35.04177,Singlet_Carbene_Intra_Disproportionation
6225,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O-:1][C:2]1=[C:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[N+:6]1[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h2-3,6H,1H2",51.86076,34.5234,
6226,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]=[C:2]1[C@:5]([C:4](=[C:3]([H:7])[H:8])[H:9])([H:10])[N:6]1[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-4(6)5-3/h2-3H,1H2,(H,5,6)/t3-/m1/s1",91.11278,47.93659,
6227,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]1[C@:2]2([C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]2[H:10])[N:6]1[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-4(3-1)5-6-4/h1-2,5H,3H2/t4-/m1/s1",142.21905,92.82904,
6228,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:11])[C:5]([H:10])=[N:6]1,"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h3H,1-2H2",82.96167,5.83355,
6229,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[C:3](=[C:4]=[C:5]([H:9])[H:10])([H:7])[H:8].[O:1]=[C:2]=[N:6][H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)",InChI=1S/C3H4.CHNO/c1-3-2;2-1-3/h1-2H2;2H,118.8996,35.34599,
6230,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]([C+:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C-:5][N:6]1[H:11])[H:10],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,5-6H,2H2",133.56241,73.58413,
6231,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]=[C:2]=[C:3](/[C:4](=[C:5](\[N:6]([H:8])[H:11])[H:10])[H:9])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1-3H,5H2/b3-1-",69.64316,28.214209999999998,
6232,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]([C+:2]1[C:3]([H:7])([H:8])[C-:4]=[C:5]([H:10])[N:6]1[H:11])[H:9],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h3,5-6H,2H2",137.46537,79.08464000000001,
6233,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[C:4](#[C:5][H:10])[H:9].[O:1]1/[C:2](=[N:6]\[H:11])[C:3]1([H:7])[H:8],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C2H3NO.C2H2/c3-2-1-4-2;1-2/h3H,1H2;1-2H/b3-2-;",122.40222,88.93705,
6234,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]=[C:2]([N:6]([C:5](=[C:4]=[C:3]([H:7])[H:8])[H:10])[H:11])[H:9],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-5-4-6/h3-4H,1H2,(H,5,6)",134.70181000000002,35.61252,
6235,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]1(/[C:5](=[N:6]/[H:11])[H:10])[H:9],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h2-3,5H,1H2/b5-2+/t3-/m1/s1",69.19755,47.281690000000005,
6236,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]([c:2]1[c:3]([H:7])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:8],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H",69.29855,7.164569999999999,ketoenol
6237,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]1/[C:2](=[N:6]\[H:11])[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]1[H:10],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1,3,5H,2H2/b5-4-",123.94736,17.15008,ketoenol
6238,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]([C:2]1=[N:6][C:5]([H:10])=[C:4]([H:9])[C:3]1([H:7])[H:8])[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)",51.479420000000005,11.505180000000001,ketoenol
6239,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[C:5](=[C:6]([H:12])[H:13])([H:10])[H:11].[O:1]=[C:2]=[N:3][C:4]([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2",InChI=1S/C2H3NO.C2H4/c1-3-2-4;1-2/h1H3;1-2H2,99.70255,2.37659,
6240,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]=[C:2]([N+:3]1([H:12])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C-:6]1[H:13])[H:7],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h2,4-5H,1,3H2",83.45279000000001,78.15628000000001,
6241,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[H:8][H:13].[O:1]=[C:2]([N+:3]1=[C:6]([H:12])[C:5]([H:10])([H:11])[C-:4]1[H:9])[H:7],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C4H5NO.H2/c6-4-5-2-1-3-5;/h2-4H,1H2;1H",90.65377,83.22316,
6242,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]([C@:2]1([H:7])[N:3]2[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C@:6]12[H:12])[H:13],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C4H7NO/c6-4-3-1-2-5(3)4/h3-4,6H,1-2H2/t3-,4+,5?/m1/s1",98.87980999999999,35.77425,
6243,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]([C:2](=[N+:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C-:6]1[H:12])[H:7])[H:13],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h2,4,6H,1,3H2",59.999109999999995,57.266009999999994,
6244,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1](/[C:2](=[N:3]\[C:4]([C:5](=[C:6]([H:12])[H:13])[H:10])([H:8])[H:9])[H:7])[H:11],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6)",73.79630999999999,6.28951,
6245,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]=[C:2]([N+:3]1([H:11])[C:4]([H:8])([H:9])[C-:5]([H:10])[C:6]1([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C4H6NO/c6-4-5-2-1-3-5/h1,4H,2-3H2/q-1/p+1",93.32374,91.40044,
6246,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]=[C:2]([N:3]([C:4]([C:5][H:10])([H:8])[H:9])[C:6]([H:11])([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C4H7NO/c1-3-5(2)4-6/h1,4H,3H2,2H3",88.62271,74.18177,
6247,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]1[C:2]([H:7])=[N:3][C:6]([H:12])([H:13])[C:5]([H:10])([H:11])[C:4]1([H:8])[H:9],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2",75.85706,-5.31768,ketoenol
6248,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]1([H:10])[C:3]([H:12])=[C:4]1[H:13])([H:7])([H:8])[H:9].[H:11][H:14],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H6.CO.H2/c1-4-2-3-4;1-2;/h2-4H,1H3;;1H",93.54301,55.09899,
6249,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5][O:6][H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-4-2-5(4)3-6/h4-6H,2H2,1H3/t4-,5-/m0/s1",77.91761,48.406859999999995,
6250,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:4]([C:3]([H:10])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-3-5(2)4-6/h4-5H,1-2H3/t5-/m1/s1",71.51086,69.62893000000001,
6251,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:14])([C:4](=[C:5]=[O:6])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-5(2)3-4-6/h3,5H,1-2H3",63.527280000000005,-6.98298,
6252,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3]([C:4](=[C:5](/[O:6][H:11])[H:14])\[H:13])/[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-6H,1H3/b3-2-,5-4-",60.245819999999995,0.24131,
6253,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([C@:4]1([H:13])[C:5]([H:9])([H:14])[O:6]1)([H:11])[H:12])[H:10])([H:7])[H:8],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-2-3-5-4-6-5/h2,5H,1,3-4H2/t5-/m1/s1",98.48015,20.05845,
6254,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H4O.CH4/c5-3-4-1-2-4;/h3-4H,1H2;1H4/t4-;/m1./s1",97.87017,90.98646,
6255,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1=[C:5]=[O:6])([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H6O.H2/c1-4-2-5(4)3-6;/h4H,2H2,1H3;1H/t4-;/m0./s1",88.29669,36.376509999999996,
6256,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2,4-5H,3H2,1H3/t5-/m0/s1",52.75824,-5.70605,ketoenol
6257,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[C:2]1([H:10])=[C:3]([H:12])[C:4]1([C:5](=[O:6])[H:14])[H:13],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1",InChI=1S/C4H4O.CH4/c5-3-4-1-2-4;/h1-4H;1H4,120.8119,41.84192,
6258,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]([H:11])[C@:4]1([C:5]#[O+:6])[H:13])([H:7])([H:8])[H:9].[H:12][H:14],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H6O.H2/c1-4-2-5(4)3-6;/h2,4-5H,1H3;1H/t4-,5-;/m0./s1",119.77582,84.07975,
6259,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:4](=[C:3]([H:11])[H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-3-5(2)4-6/h3-5H,1H2,2H3/t5-/m0/s1",84.45174,-1.7507700000000002,
6260,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([O+:6]=[C-:5][H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-4-3-5(4)6-2/h2,4-5H,3H2,1H3/t4-,5+/m0/s1",119.66722,69.3212,
6261,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3](/[C:4](=[C:5](/[O:6][H:9])[H:14])[H:13])([H:11])[H:12])[H:10])([H:7])[H:8],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,4-6H,1,3H2/b5-4+",62.585919999999994,6.733339999999999,
6262,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:10])[H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h5H,3-4H2,1H3",71.29202,65.31593000000001,
6263,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4]1=[C:5](/[O:6][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-4,6H,2H2,1H3/b5-3-/t4-/m0/s1",70.99533000000001,19.91187,ketoenol
6264,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:6][C:5]([H:14])=[C:4]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2-3,5H,4H2,1H3/t5-/m1/s1",55.20091,-2.85348,ketoenol
6265,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](\[C:3]([C:5](=[O:6])[H:14])([H:11])[H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-3,5H,4H2,1H3/b3-2-",77.43694,-3.06903,
6266,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4-,5+/m0/s1",74.70231,23.53715,
6267,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3](=[C:4]([C:5](=[O:6])[H:14])[H:13])([H:11])[H:12],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C3H4O.C2H4/c1-2-3-4;1-2/h2-3H,1H2;1-2H2",109.15711999999999,19.898329999999998,
6268,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]([C-:2]=[O+:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h4-5H,1-2H2",76.55834,43.2253,
6269,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]=[C:2]([H:7])[H:8].[O:3]=[C:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2",InChI=1S/C3H4O.CH2O/c4-3-1-2-3;1-2/h1-2H2;1H2,79.00955,38.58012,
6270,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]([C:2]([O:3][C:4]1([H:8])[C:5]([H:10])=[C:6]1[H:12])([H:7])[H:9])[H:11],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h1-2,4-5H,3H2",89.1212,48.747240000000005,
6271,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[C:4]1([H:8])=[C:6]([H:12])[C:5]1([H:9])[H:10].[O:1]([C:2](=[O:3])[H:7])[H:11],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C3H4.CH2O2/c1-2-3-1;2-1-3/h1-2H,3H2;1H,(H,2,3)",61.166059999999995,37.45234,Retroene
6272,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]=[C:2]([C:6]([O:3][C:4](=[C:5]([H:9])[H:10])[H:8])([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-2-6-4-3-5/h2-3H,1,4H2",102.09285,14.188220000000001,
6273,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]([C:2](=[O:3])[H:7])[C:6]([C:4](=[C:5]([H:9])[H:10])[H:8])([H:11])[H:12],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2",61.0158,-4.81442,
6274,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O+:1]#[C-:2].[O:3]([C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C3H6O.CO/c4-3-1-2-3;1-2/h3-4H,1-2H2;",68.7311,9.31995,"1,2_Insertion_CO"
6275,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O+:1]#[C-:2].[O:3]=[C:4]([C:5]([C:6]([H:7])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C3H6O.CO/c1-2-3-4;1-2/h3H,2H2,1H3;",58.973859999999995,-9.17065,
6276,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]1[C:2]([H:7])=[O+:3][C-:4]([H:8])[C:6]([H:11])([H:12])[C:5]1([H:9])[H:10],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-2-5-4-6-3-1/h2,4H,1,3H2",82.36009,61.43779,
6277,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]=[C:2]([C:6]([C:5]([C:4](=[O:3])[H:8])([H:9])[H:10])([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2",65.97641999999999,-8.30387,
6278,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O+:4]=[C-:5][H:13])([H:11])[H:12])([O:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h2,4-5H,3H2,1H3/t4-/m0/s1",78.78229,60.2296,
6279,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([O:4][H:8])([H:11])[H:12])[H:10])([H:7])[H:9].[C:5](=[O:6])([H:13])[H:14],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2,4H,1,3H2;1H2",92.32928000000001,24.88564,
6280,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[O:4][C:5]([O:6][H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-2-3-6-4-5/h2-3,5H,4H2,1H3/b3-2+",75.97116,5.511,
6281,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([O:6][C:5](=[O+:4][C-:3]([H:11])[H:12])[H:14])([H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-3-6-4-5-2/h4H,2-3H2,1H3",118.83025,72.21244,
6282,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:6][C:5]([O:4][C:3]([H:10])([H:11])[H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-3-6-4-5-2/h4H2,1-2H3",83.65116,56.18636,
6283,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[O:6][C:5]([O:4][H:10])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-4(2)6-3-5/h5H,1,3H2,2H3",79.80861,1.828,
6284,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C-:2]1=[O+:6][C:5]([H:13])([H:14])[O:4][C:3]1([H:11])[H:12].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H4O2.CH4/c1-2-5-3-4-1;/h1,3H2;1H4",82.77315,54.791869999999996,
6285,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[O:6])([H:7])([H:8])[H:9].[O:4]=[C:5]([H:13])[H:14],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1",InChI=1S/C3H6O.CH2O/c1-3(2)4;1-2/h1-2H3;1H2,79.72584,2.63199,
6286,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:13])[H:14],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h3H,2H2,1H3;1H2",66.99642,10.83328,
6287,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]([O+:6]=[C:5]([O:4][C:3]([H:11])([H:12])[H:14])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-3-6-4-5-2/h3-4H,1-2H3",113.90637,73.77773,
6288,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]=[O+:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H6O2.H2/c1-4-2-5-3-6-4;/h4H,3H2,1H3;1H/t4-;/m0./s1",82.70703,63.64815,
6289,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([O:4][C:5]([O:6][H:8])([H:13])[H:14])([H:11])[H:12])[H:10])([H:7])[H:9],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-2-3-6-4-5/h2,5H,1,3-4H2",66.17713,11.34639,
6290,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([O:6][C:5]([O+:4]=[C-:3][H:11])([H:13])[H:14])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-3-6-4-5-2/h2H,3-4H2,1H3",81.31652,66.98210999999999,
6291,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]1[C:3]([H:11])([H:12])[O+:4]=[C:5]([H:14])[O:6]1)([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H6O2.H2/c1-4-2-5-3-6-4;/h3H,2H2,1H3;1H",85.21611999999999,79.07973,
6292,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]([H:12])[O+:4]=[C:5]([H:14])[O:6]1)([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H6O2.H2/c1-4-2-5-3-6-4;/h2-4H,1H3;1H/t4-;/m0./s1",84.65633000000001,77.97098000000001,
6293,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:17].[C:2](=[C:3]([C:4]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11].[O:5]=[C:6]([H:16])[H:18],"InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C3H6.CH2O.CH4/c1-3-2;1-2;/h3H,1H2,2H3;1H2;1H4",113.01777,26.648690000000002,
6294,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:4]([H:13])([H:14])[H:15])[H:12])[H:11])([H:7])([H:8])[H:9].[O:5]([C:6]([H:16])([H:17])[H:18])[H:10],"InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C4H8.CH4O/c1-3-4-2;1-2/h3-4H,1-2H3;2H,1H3/b4-3+;",66.20643000000001,14.259570000000002,"1,3_Insertion_ROR"
6295,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([O:5][C:6]([H:16])([H:17])[H:18])([H:13])([H:14])[H:15],"InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C3H6.C2H6O/c2*1-3-2/h1H,3H2,2H3;1-2H3",125.86238,28.40417,
6296,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O+:5][C-:6]([H:16])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([H:13])([H:14])([H:15])[H:17],"InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C4H8O.CH4/c1-3-4-5-2;/h4H,2-3H2,1H3;1H4",91.02202,73.02809,
6297,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:17])([H:7])([H:8])[H:9].[C:3]([C:4]([H:13])([H:14])[H:15])(=[O+:5][C-:6]([H:16])[H:18])[H:12],"InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C3H6O.C2H6/c1-3-4-2;1-2/h3H,2H2,1H3;1-2H3",92.8241,74.90415,
6298,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])=[O+:5][C-:6]([H:16])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:17],"InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C5H10O.H2/c1-4-5(2)6-3;/h3-4H2,1-2H3;1H",81.41556,77.13750999999999,
6299,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:3](/[C:4](=[N:5]/[H:13])[O+:6]=[C-:2][H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-4(5)6-2/h2,5H,3H2,1H3/b5-4-",130.5261,64.03408,
6300,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([O:6]/[C:4]([C:3]([C:2][H:10])([H:11])[H:12])=[N:5]\[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-4(5)6-2/h1,5H,3H2,2H3/b5-4-",129.29105,87.16638,
6301,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[C:4]=[N:5][H:13])[H:11])([O:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO/c1-4(6)2-3-5/h2,4-6H,1H3/t4-/m0/s1",86.72522,15.449689999999999,
6302,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])=[C:4]([N:5]([H:11])[H:13])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h2-3H,5H2,1H3/t3-/m0/s1",84.08793,17.11111,
6303,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:11])[H:12])([O:6][H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m0/s1",67.16699,-10.92433,
6304,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2][H:10])([H:7])([H:8])[H:9].[C:3]1([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1,"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C2H3NO.C2H4/c3-2-1-4-2;1-2/h3H,1H2;1H,2H3/b3-2-;",129.85173,122.1119,
6305,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:3]=[C:4]([N:5]([C-:6]([H:13])[H:15])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H9NO/c1-3-6-4-5-2/h4-5H,2-3H2,1H3",81.88679,52.94517,
6306,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([N:5]([C:4](=[O+:3][C-:2]([H:10])[H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H9NO/c1-5(2)4-6-3/h4H,3H2,1-2H3",104.07562,75.60857,
6307,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:5]([C:4](=[O:3])[H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3",55.78719,-15.09632,ketoenol
6308,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:4](=[N+:5]=[C:6]([H:13])[H:15])[H:12].[C:1]([C:2]([O:3][H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C2H3N.C2H6O/c1-3-2;1-2-3/h1H,2H2;3H,2H2,1H3",88.28881,56.16441999999999,
6309,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:3]=[C-:4][N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H9NO/c1-3-6-4-5-2/h5H,3H2,1-2H3",80.40048,40.98981,
6310,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4](#[N:5])[H:12],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C3H8O.CHN/c1-3-4-2;1-2/h3H2,1-2H3;1H",97.67844000000001,16.1302,
6311,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C-:4]=[N+:5]=[C:6]([H:13])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:14],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H7NO.H2/c1-3-6-4-5-2;/h2-3H2,1H3;1H",79.91664,65.00731,
6312,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([N:5]=[C:6]([H:13])[H:15])([H:12])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H9NO/c1-3-6-4-5-2/h2-4H2,1H3",82.9573,15.410810000000001,
6313,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2](=[O+:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])[H:10].[C:1]([H:7])([H:8])([H:9])[H:11],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C3H5NO.CH4/c1-4-3-5-2;/h2-3H,1H3;1H4/b4-3+;",90.44145,77.17899,
6314,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O:1]=[C:2]=[N:3][C:4]([C:5](=[O:6])[H:9])([H:7])[H:8],"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-2-1-4-3-6/h2H,1H2",67.7326,8.023010000000001,
6315,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O:1]=[C:2](/[N:3]=[C:4](\[C:5](=[O:6])[H:9])[H:8])[H:7],"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)",InChI=1S/C3H3NO2/c5-2-1-4-3-6/h1-3H/b4-1-,76.8024,32.26882,
6316,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[N:3](=[C:4](/[C:5](=[O:6])[H:9])[H:8])\[H:7].[O+:1]#[C-:2],"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)",InChI=1S/C2H3NO.CO/c3-1-2-4;1-2/h1-3H;/b3-1+;,68.67312,34.18177,
6317,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O:1]=[C:2]1[N:3]([H:7])[C@:4]1([C:5](=[O:6])[H:9])[H:8],"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-1-2-3(6)4-2/h1-2H,(H,4,6)/t2-/m0/s1",60.76616,44.84406,ketoenol
6318,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O:1]=[C:2]1[C@@:5](/[C:4](=[N:3]/[H:7])[H:8])([H:9])[O:6]1,"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c4-1-2-3(5)6-2/h1-2,4H/b4-1+/t2-/m0/s1",82.75286,43.36707,
6319,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O:1]=[C:2](/[N+:3](=[C:4](\[C-:5])[H:8])[H:7])[O:6][H:9],"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)","InChI=1S/C3H2NO2/c1-2-4-3(5)6/h2H,(H,5,6)/q-1/p+1/b4-2-",90.47749,79.85217,
6320,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[o:6]1)[H:7],"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)",54.62209,8.92875,ketoenol
6321,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C-:5]=[O+:6]1,"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1H2,(H,4,5)",60.50046,46.615559999999995,Singlet_Carbene_Intra_Disproportionation
6322,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O:1]=[C:2]1[N+:3]([H:7])=[C-:4][C:5]([H:8])([H:9])[O:6]1,"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h4H,2H2",54.554069999999996,33.32767,Singlet_Carbene_Intra_Disproportionation
6323,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[C:4](#[C:5][H:9])[H:8].[O:1]1[C:2](=[N:3][H:7])[O:6]1,"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)",InChI=1S/C2H2.CHNO2/c1-2;2-1-3-4-1/h1-2H;2H,155.60735,135.61081000000001,
6324,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O:1]=[C:2]1[N+:3]([H:7])([H:8])[C-:4]=[C:5]([H:9])[O:6]1,"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h2H,4H2",91.17169,72.64649,
6325,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([O+:2]=[C-:3][N:4]([C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-4-3-5-2/h3H,1-2H3/b4-3+","InChI=1S/C3H7NO/c1-4-3-5-2/h4H,1-2H3",80.37109,41.25161,
6326,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([O:2]/[C:3](=[N:4]/[H:9])[C:5]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-4-3-5-2/h3H,1-2H3/b4-3+","InChI=1S/C3H7NO/c1-3(4)5-2/h4H,1-2H3/b4-3+",89.41826,-12.0976,
6327,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C-:1]([O+:2]=[C:3]([N:4]=[C:5]([H:11])[H:12])[H:9])([H:6])[H:7].[H:8][H:10],"InChI=1S/C3H7NO/c1-4-3-5-2/h3H,1-2H3/b4-3+","InChI=1S/C3H5NO.H2/c1-4-3-5-2;/h3H,1-2H2;1H",108.1731,88.99963000000001,
6328,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([O:2][C-:3]=[N+:4]=[C:5]([H:11])[H:12])([H:6])([H:7])[H:8].[H:9][H:10],"InChI=1S/C3H7NO/c1-4-3-5-2/h3H,1-2H3/b4-3+","InChI=1S/C3H5NO.H2/c1-4-3-5-2;/h1H2,2H3;1H",80.51924,65.27011,
6329,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([N:4]([C:3](=[O:2])[H:9])[C:5]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-4-3-5-2/h3H,1-2H3/b4-3+","InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3",56.94774,-16.89501,ketoenol
6330,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([O:2][C:3]([N:4]=[C:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-4-3-5-2/h3H,1-2H3/b4-3+","InChI=1S/C3H7NO/c1-4-3-5-2/h1,3H2,2H3",82.86822,15.6523,
6331,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]1[C:2]2=[C:7]([H:11])[C@@:6]1([H:10])[C:5]([H:9])=[C:4]([H:8])[O:3]2,InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,InChI=1S/C5H4O2/c1-2-6-5-3-4(1)7-5/h1-4H/t4-/m1/s1,127.03521,114.03361000000001,
6332,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]1[C@:2]23[O:3][C:4]([H:8])=[C:5]([H:9])[C@@:6]2([H:10])[C@:7]13[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c1-2-6-5-3(1)4(5)7-5/h1-4H/t3-,4-,5+/m0/s1",103.30364,99.10963000000001,
6333,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]=[C:2]1[O:3][C:4]([H:8])=[C:5]([H:9])[C:6]1=[C:7]([H:10])[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c1-4-2-3-7-5(4)6/h2-3H,1H2",118.60033999999999,8.80878,
6334,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]=[C:2]1[O:3][C@@:5]([C:4][H:8])([H:9])[C:6]([H:10])=[C:7]1[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h1-4H/t4-/m1/s1,116.44248,98.2441,
6335,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]=[C:2]1[O+:3]=[C:4]([H:8])[C:5]([H:9])=[C-:6][C:7]1([H:10])[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h2,4H,3H2",79.58844,70.81024000000001,Singlet_Carbene_Intra_Disproportionation
6336,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]=[C:2]1[O+:3]=[C-:4][C:5]([H:8])([H:9])[C:6]([H:10])=[C:7]1[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1,3H,2H2",74.00265,61.42017,Singlet_Carbene_Intra_Disproportionation
6337,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[H:10][H:11].[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]#[c:7]1,InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H2O2.H2/c6-5-3-1-2-4-7-5;/h2,4H;1H",114.00034,92.16669,
6338,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]=[C:2]1[C@:5]([C:4](=[O:3])[H:8])([H:9])[C:6]([H:10])=[C:7]1[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,InChI=1S/C5H4O2/c6-3-4-1-2-5(4)7/h1-4H/t4-/m1/s1,54.30871,34.75343,ketoenol
6339,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]=[C:2]1[O:3][C@:4]2([H:8])[C:5]([H:9])([H:10])[C:6]2=[C:7]1[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c6-5-2-3-1-4(3)7-5/h2,4H,1H2/t4-/m1/s1",101.29648,59.07461,
6340,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]([C:2]1=[C:7]=[C:6]([H:10])[C:5]([H:9])=[C:4]([H:8])[O:3]1)[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-2,4,6H",71.19341999999999,55.93983000000001,ketoenol
6341,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O-:1][C:2]1=[C:7]([H:11])[C:6]([H:10])=[C+:5][C:4]([H:8])([H:9])[O:3]1,InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1,3H,4H2",76.89902,76.45291999999999,Singlet_Carbene_Intra_Disproportionation
6342,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]=[C:2]1[O:3][C:4]([H:8])=[C:5]2[C:6]([H:9])([H:10])[C@@:7]12[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c6-5-4-1-3(4)2-7-5/h2,4H,1H2/t4-/m1/s1",107.21813,58.484269999999995,
6343,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]([C:2]1=[O+:3][C-:4]([H:8])[C:5]([H:9])=[C:6]=[C:7]1[H:11])[H:10],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h2-4,6H",146.06513999999999,65.26928000000001,
6344,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]=[C:2]1/[C:6](=[C:5](\[C:4](=[O:3])[H:8])[H:9])[C:7]1([H:10])[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c6-2-1-4-3-5(4)7/h1-2H,3H2/b4-1-",118.5709,61.566669999999995,
6345,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]=[C:2]1[C:4](=[O:3])[C:5]([H:8])([H:9])[C:6]([H:10])=[C:7]1[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2",83.62118000000001,11.64535,
6346,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O+:1]#[C-:2].[o:3]1[c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,InChI=1S/C4H4O.CO/c1-2-4-5-3-1;1-2/h1-4H;,91.44488,13.329579999999998,
6347,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O+:3]=[C-:4][O:5][C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c1-2-6-4-7-3-5/h5H,2-3H2,1H3",99.41456,52.63448,
6348,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2](=[O+:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])[H:11].[C:1]([H:8])([H:9])([H:10])[H:12],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C3H4O3.CH4/c1-6-3(5)2-4;/h1,4H,2H2;1H4",91.85149,79.53759000000001,
6349,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C@:4]1([O:5][H:15])[C:6]([H:13])([H:14])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c1-2-6-4(5)3-7-4/h5H,2-3H2,1H3/t4-/m1/s1",56.335080000000005,33.85256,
6350,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](=[O:5])([C:6]([O:7][H:15])([H:13])[H:14])[H:12],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C2H4O2.C2H4O/c3-1-2-4;1-2-3/h1,4H,2H2;2H,1H3",74.59621,26.961170000000003,
6351,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[O:3]=[C:4]([O:5][H:9])[C:6]([O:7][H:15])([H:13])[H:14],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C2H4O3.C2H4/c3-1-2(4)5;1-2/h3H,1H2,(H,4,5);1-2H2",49.23992,18.795370000000002,Retroene
6352,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3]/[C:4]([O:5][H:15])=[C:6](/[O:7][H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h3,5-6H,2H2,1H3/b4-3+",72.08683,27.53293,ketoenol
6353,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C:2](=[O+:3][C:4]([O-:5])=[C:6]([O:7][H:15])[H:13])([H:11])[H:12],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C3H4O3.CH4/c1-6-3(5)2-4;/h2H,1H2,(H-,4,5);1H4",107.77712,71.6105,
6354,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@:3]1([H:13])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]([H:14])[H:19],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O.H2O/c1-2-5-3-4-6-5;/h5H,2-4H2,1H3;1H2/t5-;/m1./s1",76.52715,21.12521,
6355,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:5](/[C:6]([O:7][H:19])([H:17])[H:18])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]([H:14])[H:16],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O.H2O/c1-2-3-4-5-6;/h3-4,6H,2,5H2,1H3;1H2/b4-3+;",66.23555999999999,14.88636,"1,3_Insertion_ROR"
6356,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3]([O:4][H:14])=[C:5](\[C:6]([O:7][H:19])([H:17])[H:18])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2.H2/c1-2-5(7)3-4-6;/h3,6-7H,2,4H2,1H3;1H/b5-3+;",106.50458,27.38145,
6357,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:5]([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:17])[H:18].[O:4]([H:14])[H:19],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C4H8.CH2O.H2O/c1-3-4-2;1-2;/h3H,1,4H2,2H3;1H2;1H2",62.22523,31.19224,
6358,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[C:6]([H:17])[H:18])([H:15])[H:16].[O:7]([H:14])[H:19],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C3H6O.C2H4.H2O/c1-2-3-4;1-2;/h3H,2H2,1H3;1-2H2;1H2",63.08319,25.46119,
6359,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3]([O:4][H:9])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C3H8O2.C2H4/c4-2-1-3-5;1-2/h4-5H,1-3H2;1-2H2",117.92026000000001,29.57119,
6360,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[O:4][H:14])[C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:13])[H:15])[H:12])([H:8])([H:9])[H:10].[H:11][H:16],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2.H2/c1-2-5(7)3-4-6;/h2,6-7H,3-4H2,1H3;1H/b5-2+;",112.12603999999999,25.13728,
6361,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:14])([H:13])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[O:7]1)([H:8])([H:9])[H:10].[H:12][H:19],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2.H2/c1-4-5(6)2-3-7-4;/h4-6H,2-3H2,1H3;1H/t4-,5-;/m0./s1",109.3367,21.98076,
6362,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[C:3]1([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13].[O:4]([H:9])[H:14],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O.H2O/c6-4-3-5-1-2-5;/h5-6H,1-4H2;1H2",103.83914,21.43584,
6363,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:18])([H:15])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:16][H:19],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2.H2/c1-2-5(7)3-4-6;/h4-5,7H,2-3H2,1H3;1H/t5-;/m1./s1",93.99325,16.236539999999998,
6364,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]([O:4][H:14])([H:13])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18].[O:7]([H:8])[H:19],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O.H2O/c6-5-3-1-2-4-5;/h5-6H,1-4H2;1H2",99.59622,-0.13214,
6365,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5](=[C:6]([H:17])[H:18])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:16])[H:19],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O.H2O/c1-3-5(6)4-2;/h3,5-6H,1,4H2,2H3;1H2/t5-;/m0./s1",67.89663,13.0852,"1,3_Insertion_ROR"
6366,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:14])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([C:6]([C:7]([H:13])([H:20])[H:21])([H:18])[H:19])[H:17])([H:15])[H:16],"InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3","InChI=1S/C4H8.C3H6/c1-3-4-2;1-3-2/h3H,1,4H2,2H3;3H,1H2,2H3",87.55588,16.223229999999997,
6367,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5][C:6]([C:7]([H:17])([H:20])[H:21])([H:18])[H:19])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3","InChI=1S/C7H14/c1-4-5-6-7(2)3/h7H,4,6H2,1-3H3",67.28733000000001,62.87753000000001,
6368,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([H:12])([H:13])[H:14])[H:11])([H:9])[H:10].[C:4](=[C:5]1[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16].[H:8][H:17],"InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3","InChI=1S/C4H6.C3H6.H2/c1-4-2-3-4;1-3-2;/h1-3H2;3H,1H2,2H3;1H",104.76285,60.41939,
6369,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2](=[C:3]([H:12])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11],"InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3","InChI=1S/C6H10.CH4/c1-2-3-6-4-5-6;/h2,6H,1,3-5H2;1H4",112.81962,19.19976,
6370,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]([C:3]([H:12])([H:13])[H:14])[C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16],"InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3","InChI=1S/C6H10.CH4/c1-2-3-6-4-5-6;/h6H,3-5H2,1H3;1H4",91.73871,86.24306,
6371,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[C:5]([H:15])[H:17])[H:16])[H:11])([H:8])([H:9])[H:10].[C:6](=[C:7]([H:20])[H:21])([H:18])[H:19],"InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3","InChI=1S/C5H10.C2H4/c1-4-5(2)3;1-2/h4-5H,1H2,2-3H3;1-2H2",102.0443,18.18693,
6372,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])=[C:4]([H:15])[H:16])([H:8])([H:9])[H:10].[C:5](=[C:6]([H:18])[H:19])([C:7]([H:11])([H:20])[H:21])[H:17],"InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3","InChI=1S/C4H8.C3H6/c1-4(2)3;1-3-2/h1H2,2-3H3;3H,1H2,2H3",89.00706,12.06785,
6373,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C:4]1([C:5]([H:12])([H:13])[H:14])[N:6]=[N:7]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-4(3-5-2)6-7-4/h3H,1-2H3/b5-3+",70.12784,36.22781,
6374,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:2]([C:3](=[C:4]=[N:6][C:5]([H:12])([H:13])[H:14])[H:11])=[N-:7])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-6-3-4-7(2)5/h4H,1-2H3",127.79018,71.05955,
6375,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C@:3]([C:5]([H:12])([H:13])[H:14])([H:11])[C:4]#[N+:6][N-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-4-3-5-6-7(4)2/h4H,1-2H3/t4-/m0/s1",98.04285,78.62442,
6376,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1](=[N+:2]1[C:3]([H:10])([H:11])[C:4]([C:5]([H:12])([H:13])[H:14])=[N:6][N-:7]1)([H:8])[H:9],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h2-3H2,1H3",104.42919,48.47068,
6377,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]=[N+:6]([C:5]([H:12])([H:13])[H:14])[N-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-6-3-4-7(2)5-6/h3H,1-2H3",109.20036999999999,46.38628,
6378,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C-:4]([C:5]([H:12])([H:13])[H:14])[N+:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-4(7-5)3-6-2/h3H,1-2H3/b6-3+",37.378820000000005,22.82829,
6379,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([C@:3]1([H:11])[N:2]=[N:7][N:6]=[C:4]1[C:5]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-3-4(2)6-7-5-3/h3H,1-2H3/t3-/m0/s1",68.9973,17.85504,
6380,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:13])[C:4](=[C:5]([H:12])[H:14])[N:6]=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h1,3H2,2H3",103.24423,30.17223,
6381,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([n:7]1[n:2][c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-4-3-5-7(2)6-4/h3H,1-2H3",65.03499000000001,-5.53252,
6382,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]=[N+:7]=[N-:6])([H:8])([H:9])[H:10].[C:3](#[C:4][C:5]([H:12])([H:13])[H:14])[H:11],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C3H4.CH3N3/c1-3-2;1-3-4-2/h1H,2H3;1H3",93.33506,64.53286,
6383,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]1([H:8])([H:9])[C@@:2]([C@@:7]2([H:13])[C:5]([H:11])([H:12])[O:6]2)([H:10])[O+:3]=[C-:4]1,"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c1-2-6-4(1)5-3-7-5/h4-5H,1,3H2/t4-,5-/m1/s1",70.45476,34.78799,
6384,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]1([H:8])([H:9])[C:2][C@@:7]2([H:13])[C@@:5]([H:12])([C@:4]1([O:3][H:10])[H:11])[O:6]2,"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c6-3-1-2-4-5(3)7-4/h3-6H,1H2/t3-,4-,5+/m0/s1",68.10595,38.508590000000005,
6385,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]([C@@:2]1([H:10])[O+:3]=[C-:4][C@@:5]2([H:12])[O:6][C@@:7]12[H:13])([H:8])([H:9])[H:11],"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c1-3-5-4(7-5)2-6-3/h3-5H,1H3/t3-,4-,5+/m1/s1",75.21973,14.22749,
6386,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]1([H:8])([H:9])[C:2]([H:10])=[C:7]([H:13])[O:6][C@@:5]2([H:12])[O:3][C@@:4]12[H:11],"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c1-2-4-5(7-4)6-3-1/h1,3-5H,2H2/t4-,5-/m0/s1",52.39005,-35.66016,
6387,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]1([H:8])([H:9])[C@@:2]([C:7][H:13])([H:10])[O:3][C@@:4]1([C:5](=[O:6])[H:12])[H:11],"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c1-4-2-5(3-6)7-4/h1,3-5H,2H2/t4-,5-/m0/s1",52.54484,49.723659999999995,
6388,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]1([H:11])[C@:5]([O:6][H:13])([H:12])[C:7]2,"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c6-4-1-3-2-5(4)7-3/h3-6H,2H2/t3-,4-,5-/m0/s1",66.06835,47.86564,
6389,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]1([H:11])[C-:5]=[O+:6][C:7]2([H:12])[H:13],"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c1-4-2-6-3-5(1)7-4/h4-5H,1-2H2/t4-,5+/m1/s1",69.89778000000001,22.44466,
6390,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@@:7]2([O+:6]=[C-:5][H:12])[H:13],"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c1-6-5-3-2-4(5)7-3/h1,3-5H,2H2/t3-,4+,5+",100.33865,68.69117,
6391,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1](=[C:2]([C@@:7]1([H:13])[C@:5]([C:4](=[O:3])[H:11])([H:12])[O:6]1)[H:10])([H:8])[H:9],"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c1-2-4-5(3-6)7-4/h2-5H,1H2/t4-,5+/m0/s1",46.52949,-25.05088,
6392,[C:1]([O:2][C:3]([C:4](=[O:5])[O:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:8])[H:10].[C:3](=[C:4]([O:5][H:9])[O:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12],"InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3","InChI=1S/C3H6O2.CH2O/c1-3(4)5-2;1-2/h4H,1H2,2H3;1H2",71.7348,30.87991,Retroene
6393,[C:1]([O:2][C:3]([C:4](=[O:5])[O:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[O:2][C:3]([H:11])([H:12])[C:4]1([O:5][H:9])[O:6][C:7]([H:13])([H:14])[H:15],"InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3","InChI=1S/C4H8O3/c1-6-4(5)2-7-3-4/h5H,2-3H2,1H3",88.05435,27.678959999999996,
6394,[C:1]([O:2][C:3]([C:4](=[O:5])[O:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([H:11])[H:12])([H:8])[H:10].[C:4](=[O:5])([O:6][C:7]([H:13])([H:14])[H:15])[H:9],"InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3","InChI=1S/C2H4O2.C2H4O/c1-4-2-3;1-3-2/h2H,1H3;1-2H2",84.05645,79.30712,
6395,[C:1]([O:2][C:3]([C:4](=[O:5])[O:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4](=[O:5])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[O:6]=[C:7]([H:13])[H:15],"InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3","InChI=1S/C3H6O2.CH2O/c1-5-3-2-4;1-2/h2H,3H2,1H3;1H2",78.00173000000001,33.54274,
6396,[C:1]([O:2][C:3]([C:4](=[O:5])[O:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[C:4](\[O:5][H:12])[O:6][C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3","InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3,5H,1-2H3/b4-3+",79.47378,24.80537,ketoenol
6397,[C:1]([O:2][C:3]([C:4](=[O:5])[O:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][O:5][C:4](=[C:3]([H:11])[H:12])[O:6][C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3","InChI=1S/C4H8O3/c1-4(5-2)7-6-3/h1H2,2-3H3",111.86143999999999,80.06687,ketoenol
6398,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4](=[N:5][H:12])[C-:6]1[N+:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2,6H,1,5H3/t2-/m1/s1",74.18902,53.49569,
6399,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C:4](=[N:5]\[H:12])/[C:6](=[N:7]\[H:15])[H:13])[H:11])([H:8])[H:10].[H:9][H:14],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H6N2O.H2/c1-2-7-4(6)3-5;/h2-3,5-6H,1H2;1H/b5-3-,6-4-;",83.74878000000001,35.023070000000004,
6400,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:6](\[N:7]([H:14])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10].[O:3]=[C:4]=[N:5][H:12],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C3H7N.CHNO/c1-2-3-4;2-1-3/h2-3H,4H2,1H3;2H/b3-2-;",44.66598,-9.78306,2+2_cycloaddition
6401,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:6]([C:4]#[N:5])([N:7]([H:14])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H8N2O/c1-3(7)4(6)2-5/h3-4,7H,6H2,1H3/t3-,4-/m1/s1",65.17341,-9.166160000000001,
6402,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:6]([N:7]([H:14])[H:15])([H:11])[H:13])([H:8])([H:9])[H:10].[C:4]=[N:5][H:12],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C3H7NO.CHN/c1-3(5)2-4;1-2/h2,4H2,1H3;2H",71.7667,19.88147,
6403,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4]#[N:5])(/[C:6](=[N:7]/[H:14])[H:13])[H:11])([H:8])([H:9])[H:10].[H:12][H:15],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H6N2O.H2/c1-4(2-5)7-3-6;/h2,4-5H,1H3;1H/b5-2+;/t4-;/m1./s1",92.65949,30.415309999999998,
6404,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[N+:7]([H:14])([H:15])[C-:6]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H8N2O/c1-3-2-6-4(5)7-3/h2-3,5H,6H2,1H3/b5-4-/t3-/m1/s1",66.97044,53.748709999999996,
6405,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([N:5]([N:7]([H:14])[H:15])[H:12])=[C:6]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H8N2O/c1-3-2-4(6-5)7-3/h2-3,6H,5H2,1H3/t3-/m1/s1",109.57836,42.48167,
6406,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](=[N:5][H:12])=[C:6]([N:7]([H:14])[H:15])[H:13],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C2H4N2.C2H4O/c3-1-2-4;1-2-3/h1,4H,3H2;2H,1H3",60.268159999999995,29.10535,2+2_cycloaddition
6407,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3]/[C:4](=[N:5]\[H:12])[H:13])([C:6][N:7]([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H8N2O/c1-4(2-5)7-3-6/h3-4,6H,5H2,1H3/b6-3-/t4-/m1/s1",75.28415,40.24456,
6408,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C-:2]=[O+:3]/[C:4](=[N:5]\[H:12])[C:6]([N:7]([H:14])[H:15])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H8N2O/c1-2-7-4(6)3-5/h6H,3,5H2,1H3/b6-4-",80.28827,50.42438,
6409,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]1([N:5]([H:12])[H:15])/[C:6](=[N:7]/[H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H8N2O/c1-3-4(6,2-5)7-3/h2-3,5H,6H2,1H3/b5-2+/t3-,4-/m1/s1",57.1674,12.418339999999999,
6410,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:5]([C:3](=[C:4]([H:9])[H:10])[C:6](=[O:7])[H:13])([H:11])[H:12])[H:8],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C5H6O2/c1-5(4-7)2-3-6/h3-4H,1-2H2",86.90465,-3.16035,
6411,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C@:3]12[C@:4]([H:9])([C:5]1([H:11])[H:12])[O:7][C:6]2([H:10])[H:13])[H:8],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C5H6O2/c6-2-5-1-4(5)7-3-5/h2,4H,1,3H2/t4-,5+/m0/s1",149.08767,29.23875,
6412,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:5]([C:4]([C+:3]=[C:6]([O-:7])[H:13])([H:9])[H:10])([H:11])[H:12])[H:8],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4-5H,1-2H2",78.01919000000001,67.93075,
6413,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[H:8][H:9].[O+:1]#[C:2][C@:3]1([C:6](=[O:7])[H:13])[C-:4]([H:10])[C:5]1([H:11])[H:12],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C5H4O2.H2/c6-3-5(4-7)1-2-5;/h1,3H,2H2;1H/t5-;/m1./s1",125.9096,89.99173,
6414,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[C-:6]#[O+:7].[O:1]([C:2](=[C:3]1[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8])[H:13],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C4H6O.CO/c5-3-4-1-2-4;1-2/h3,5H,1-2H2;",54.10098000000001,19.951810000000002,
6415,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:3]1([C:6][O:7][H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3,7H,1-2H2",77.85121,48.73741,
6416,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[O:1]([C:2](=[C:3]1[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8])[C:6](=[O:7])[H:13],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C5H6O2/c6-4-7-3-5-1-2-5/h3-4H,1-2H2",59.190830000000005,17.13384,ketoenol
6417,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[C:3]([C:4]([H:8])([H:9])[H:10])(=[C:5]([H:11])[H:12])[C:6](=[O:7])[H:13].[O+:1]#[C-:2],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C4H6O.CO/c1-4(2)3-5;1-2/h3H,1H2,2H3;",92.5371,-4.54477,
6418,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:3]([C:5]([C:4]([H:9])([H:10])[H:13])([H:11])[H:12])=[C:6]=[O:7])[H:8],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h3H,2H2,1H3",58.84336,-10.76108,
6419,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:3]1=[C:6]([H:13])[O:7][C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h3-4H,1-2H2",46.21499,-6.935060000000001,ketoenol
6420,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:3]1([O+:7]=[C-:6][H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C5H6O2/c1-7-5(4-6)2-3-5/h1,4H,2-3H2",112.04831999999999,69.58349,
6421,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C:6]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10].[C:3](=[O:4])=[C:5]([O:7][H:15])[H:11],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C2H2O2.C2H6O/c3-1-2-4;1-3-2/h1,3H;1-2H3",117.67873,60.66072,
6422,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[O:4])[C:6]([C:5](=[O:7])[H:11])([H:12])[H:14])([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H6O3.H2/c1-7-4(6)2-3-5;/h3H,2H2,1H3;1H",111.33798999999999,23.15304,
6423,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([O:4][H:15])([C:5](=[O:7])[H:11])[C:6]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O3/c1-4(6,3-5)7-2/h3,6H,1-2H3/t4-/m1/s1",61.862669999999994,18.982039999999998,
6424,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]1([O:4][H:15])[C@:5]([C:6]([H:12])([H:13])[H:14])([H:11])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O3/c1-3-4(5,6-2)7-3/h3,5H,1-2H3/t3-,4-/m1/s1",54.70713000000001,31.935990000000004,
6425,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[O:4])[C:5](=[O:7])[H:11])([H:8])([H:9])[H:10].[C:6]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C3H4O3.CH4/c1-6-3(5)2-4;/h2H,1H3;1H4",91.9347,18.7256,
6426,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][H:11])([H:8])([H:9])[H:10].[C:3](=[O:4])=[C:5]([C:6]([H:12])([H:13])[H:14])[O:7][H:15],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C3H4O2.CH4O/c1-3(5)2-4;1-2/h5H,1H3;2H,1H3",80.99266,48.44648,"1,3_Insertion_ROR"
6427,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:8])[H:9].[C:3](=[O:4])([C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])[H:10],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C3H6O2.CH2O/c1-3(5)2-4;1-2/h2-3,5H,1H3;1H2/t3-;/m1./s1",79.16802,32.89727,
6428,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][H:13])([H:8])([H:9])[H:10].[C:3]1(=[O:4])[C@@:5]([O:7][H:15])([H:11])[C:6]1([H:12])[H:14],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C3H4O2.CH4O/c4-2-1-3(2)5;1-2/h2,4H,1H2;2H,1H3/t2-;/m1./s1",94.46724,63.66065,
6429,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]([O:4][H:15])([C:5]([C:6]([H:12])([H:13])[H:14])=[O:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h4,6H,1-2H3/t4-/m0/s1",54.45553,14.01405,
6430,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:6]([C@:5]([C:3]([O:2][H:12])=[O:4])([O:7][H:15])[H:11])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1",91.21542,-4.87148,
6431,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:17])[C:6]1([H:15])[H:16])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h6H,2-4H2,1H3/t6-,7+/m1/s1",56.006330000000005,37.40518,
6432,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C@@:5]3([H:14])[C@:6]1([H:16])[C@@:7]23[H:17])([H:8])[H:9].[H:10][H:15],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H8.H2/c1-3-2-4-6-5(3)7(4)6;/h4-7H,1-2H2;1H/t4-,5+,6-,7+;",102.36341,18.644470000000002,
6433,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:6]1([H:15])[H:16])[C@:7]2([C:5][H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-5-6-3-7(5,2)4-6/h1,5-6H,3-4H2,2H3/t5-,6?,7?/m1/s1",121.46388999999999,82.49902,
6434,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:17])[C@@:4]([C:5](=[C:6]([H:15])[H:16])[H:14])([H:13])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-3-7-4-6(2)5-7/h3-4,7H,1,5H2,2H3/t7-/m0/s1",61.989830000000005,-11.54909,
6435,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]([C:7][H:17])([H:14])[C:6]2([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-5-3-7(2)4-6(5)7/h1,5-6H,3-4H2,2H3/t5-,6+,7+/m1/s1",86.5771,70.4937,
6436,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:6]([H:15])([H:16])[C:5]([C:4](=[C:3]([H:11])[H:12])[H:13])([H:14])[C:7]1([H:10])[H:17])([H:8])[H:9],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-3-7-4-6(2)5-7/h3,7H,1-2,4-5H2",100.20064,-11.332469999999999,
6437,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5][C:6]1([H:15])[H:16])[C:7]2([H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h6H,3-5H2,1H3",58.510380000000005,44.61061,
6438,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:16])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C@:5]([C:6][H:15])([H:14])[C@@:7]12[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-4-3-6-5(2)7(4)6/h2,4-7H,3H2,1H3/t4-,5-,6+,7-/m1/s1",83.25542,67.95721,
6439,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:16].[C:2]12=[C:6]([H:15])[C@:5]3([H:14])[C@:4]([H:13])([C:3]1([H:11])[H:12])[C@:7]23[H:17],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C6H6.CH4/c1-3-2-5-4(1)6(3)5;/h1,4-6H,2H2;1H4/t4-,5+,6-;/m1./s1",136.014,84.15732,
6440,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C:6]([C@:5]1([H:14])[C@:4]2([H:13])[C:3]([H:11])([H:12])[C:2][C@@:7]21[H:17])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-5-6-3-4-7(5)6/h5-7H,2-3H2,1H3/t5-,6+,7-/m1/s1",126.18593999999999,49.75505,
6441,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:7]1([H:17])[C@@:4]2([H:13])[C:3]([H:11])([H:12])[C:2][C:6]([H:15])([H:16])[C@:5]21[H:14])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h5-7H,3-4H2,1H3/t5-,6+,7-",110.51632,40.50465,
6442,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]12[C:3]([H:11])([H:12])[C:5]([H:14])([C:4]([H:13])=[C:7]1[H:17])[C:6]2([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3",84.61395999999999,-9.236410000000001,
6443,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:17])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-5-2-6-4-7(6)3-5/h5-7H,2-3H2,1H3/t5-,6+,7-",57.805969999999995,44.5012,
6444,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4][C@@:7]1([H:17])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-7-4-2-6(7)3-5-7/h6H,2,4-5H2,1H3/t6-,7+/m1/s1",60.46321,58.77758000000001,
6445,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([O:7]/[C:6](=[C:4](\[C:5]([H:14])([H:15])[H:16])[H:13])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-3-4-7-5-6-2/h3-4H,5H2,1-2H3/b4-3-",75.68842,12.43473,ketoenol
6446,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:6]1([H:17])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-4-5(7-4)3-6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1",81.81285,20.28494,
6447,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](/[C:4]([C:5]([H:14])([H:15])[H:16])=[C:6](/[O:7][H:13])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,6H,4H2,1-2H3/b5-3+",70.36874,7.911289999999999,ketoenol
6448,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[O:2][C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C@:6]1([O:7][H:8])[H:17],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-4-2-7-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m1/s1",76.68468,-7.021160000000001,
6449,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([O+:7]=[C-:6][H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-5(7-3)4-6-2/h3,5H,4H2,1-2H3/t5-/m1/s1",114.94866999999999,63.4792,
6450,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:6]([C:4]([C:5]([H:14])([H:15])[H:16])([H:13])[H:17])=[O:7])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-3-5(6)4-7-2/h3-4H2,1-2H3",74.11917,-5.51626,
6451,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:7][C@@:6]1([H:17])[O:2][C:3]([H:11])([H:12])[C@:4]1([C:5]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-4-3-7-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1",84.79526,11.36192,
6452,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:13])([H:8])([H:9])[H:10].[C:3](=[C:4]([C:5]([H:14])([H:15])[H:16])[C:6](=[O:7])[H:17])([H:11])[H:12],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H6O.CH4O/c1-4(2)3-5;1-2/h3H,1H2,2H3;2H,1H3",57.31503000000001,9.25612,"1,3_Insertion_ROR"
6453,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[C:4](\[C:5]([H:14])([H:15])[H:16])[H:13])[H:11])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:12])[H:17],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O.CH2O/c1-3-4-5-2;1-2/h3-4H,1-2H3;1H2/b4-3-;",67.0841,25.38579,
6454,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](/[C:4](=[C:6](/[O:7][C:5]([H:14])([H:15])[H:16])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-6-4-3-5-7-2/h3-4H,5H2,1-2H3/b4-3+",97.19955999999999,18.73818,ketoenol
6455,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]1([H:11])[C@:6]([C:4]([C:5]([H:14])([H:15])[H:16])([H:12])[H:13])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-3-4-5(6-2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m1/s1",80.0978,13.945179999999999,
6456,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[C:4](/[C:5]([H:14])([H:15])[H:16])[C:6](=[O:7])[H:17])[H:11])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H8O2.H2/c1-5(3-6)4-7-2;/h3-4H,1-2H3;1H/b5-4-;",95.99493000000001,21.14631,
6457,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([O:2][C:6]1=[N:7][C:3]1([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3",InChI=1S/C5H9NO/c1-5(2)4(6-5)7-3/h1-3H3,81.15751999999999,28.856690000000004,
6458,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[N+:7]#[C-:6])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3","InChI=1S/C5H9NO/c1-5(2,6-3)7-4/h1-2,4H3",51.32973,17.25345,
6459,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([O:2][N:7]=[C:6]=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3",InChI=1S/C5H9NO/c1-5(2)4-6-7-3/h1-3H3,92.48071999999999,55.050819999999995,
6460,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:8])[H:10].[C:3]1([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]([H:9])=[N:7]1,"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3","InChI=1S/C4H7N.CH2O/c1-4(2)3-5-4;1-2/h3H,1-2H3;1H2",84.59875,48.19708,
6461,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1](=[O+:2][C:3]([C:5]([H:14])([H:15])[H:16])=[C:6]=[N-:7])([H:8])[H:10].[C:4]([H:9])([H:11])([H:12])[H:13],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3","InChI=1S/C4H5NO.CH4/c1-4(3-5)6-2;/h2H2,1H3;1H4",91.07143,61.2152,
6462,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]1([C:5]([H:14])([H:15])[H:16])[C:4]([H:11])([H:13])/[C:6]1=[N:7]\[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3","InChI=1S/C5H9NO/c1-5(7-2)3-4(5)6/h6H,3H2,1-2H3/b6-4+/t5-/m1/s1",107.41683,36.53529,
6463,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([O:2][H:10])([N:7]=[C:6]=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[H:16])([H:8])[H:9],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3","InChI=1S/C5H9NO/c1-5(2)3-6-4-7/h7H,4H2,1-2H3",99.56545,18.892570000000003,
6464,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:6]#[N:7])([H:8])([H:9])[H:10].[O:2]=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[H:16],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3",InChI=1S/C3H6O.C2H3N/c1-3(2)4;1-2-3/h1-2H3;1H3,93.06291,-9.685780000000001,
6465,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:8])[H:10].[C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])=[C:6]=[N:7][H:9],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3","InChI=1S/C4H7N.CH2O/c1-4(2)3-5;1-2/h5H,1-2H3;1H2",58.327830000000006,30.668740000000003,Retroene
6466,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[N:5]([C:6](=[O:7])[H:16])([H:14])[H:15],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C3H6O.CH3NO/c1-2-3-4;2-1-3/h3H,2H2,1H3;1H,(H2,2,3)",71.54531,6.8422,
6467,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C:2](\[C:3]([O:4][H:14])([H:12])[H:13])(=[N:5]\[C:6](=[O:7])[H:16])[H:11],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C3H5NO2.CH4/c5-2-1-4-3-6;/h1,3,5H,2H2;1H4/b4-1-;",96.17835,27.939190000000004,
6468,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@:2]([C:3]([O:4][H:14])([H:12])[H:13])([H:11])[N:5]([H:15])[C@:6]1([O:7][H:10])[H:16],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H9NO2/c6-2-3-1-4(7)5-3/h3-7H,1-2H2/t3-,4-/m0/s1",97.87474,27.71495,
6469,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[N:5]([C+:6]([O-:7])[H:16])[H:15])([H:8])([H:9])[H:10].[O:4]([H:11])[H:14],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H7NO.H2O/c1-4(2)5-3-6;/h3,5H,1H2,2H3;1H2",66.17600999999999,11.108239999999999,"1,3_Insertion_ROR"
6470,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6][O:7][H:16])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h4-7H,2H2,1H3/t4-/m0/s1",73.80858,41.167320000000004,
6471,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[O:4][H:14])[H:12])[H:11])([H:8])([H:9])[H:10].[N:5](=[C:6](/[O:7][H:13])[H:16])\[H:15],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C3H6O.CH3NO/c1-2-3-4;2-1-3/h2-4H,1H3;1H,(H2,2,3)/b3-2+;",62.2812,26.26356,Retroene
6472,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:6](=[O:7])[H:16])([H:8])([H:9])[H:10].[C:2](\[C:3]([O:4][H:14])([H:12])[H:13])(=[N:5]/[H:15])[H:11],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C2H5NO.C2H4O/c3-1-2-4;1-2-3/h1,3-4H,2H2;2H,1H3/b3-1+;",102.78954,33.46038,
6473,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C-:2]([N:5]([C:6](=[O+:7][C:3]([O:4][H:14])([H:12])[H:13])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H9NO2/c1-2-5-3-7-4-6/h2-3,5-6H,4H2,1H3",96.53745,69.33105,
6474,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]1[C:6]([H:15])([H:16])[O:7]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H9NO2/c1-4(2-6)5-3-7-5/h4,6H,2-3H2,1H3/t4-,5?/m0/s1",118.79438,72.58242,
6475,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])(/[N:5]=[C:6](/[O:7][H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1",45.07577,10.99335,ketoenol
6476,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C3H9NO.CO/c1-3(4)2-5;1-2/h3,5H,2,4H2,1H3;/t3-;/m0./s1",83.79294,14.64335,"1,2_Insertion_CO"
6477,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@@:6]([O:7][H:14])([H:16])[N:5]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H9NO2/c1-3-2-7-4(6)5-3/h3-6H,2H2,1H3/t3-,4-/m0/s1",43.904340000000005,12.40477,
6478,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[O:4])[H:12])([N:5]([C:6]([O:7][H:14])([H:13])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h2,4-5,7H,3H2,1H3/t4-/m0/s1",58.88629,23.13198,
6479,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C+:2]([C:3]([O:4][H:14])([H:12])[H:13])[N:5]([C-:6]([O:7][H:11])[H:16])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3,5-7H,2H2,1H3",63.41417,58.548730000000006,
6480,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([O:4][H:14])([H:12])[H:13])[H:11])([H:8])[H:9].[N:5](=[C:6](/[O:7][H:10])[H:16])\[H:15],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C3H6O.CH3NO/c1-2-3-4;2-1-3/h2,4H,1,3H2;1H,(H2,2,3)",59.510419999999996,31.837940000000003,Retroene
6481,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:11])[C@:3]1([O:4][H:14])[H:12].[H:10][H:13],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H7NO2.H2/c6-2-5-3-1-4(3)7;/h2-4,7H,1H2,(H,5,6);1H/t3-,4-;/m0./s1",102.9224,37.49192,
6482,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]([C:3](=[O:4])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:12])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H7NO2.H2/c1-4(2-6)5-3-7;/h2-4H,1H3,(H,5,7);1H/t4-;/m1./s1",87.18927,20.941879999999998,
6483,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:11])[H:13])([H:8])([H:9])[H:10].[C:3]([O:4][H:14])[H:12],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C3H7NO.CH2O/c1-2-4-3-5;1-2/h3H,2H2,1H3,(H,4,5);1-2H",82.5272,72.10831,
6484,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4]1)([H:8])([H:9])[H:10].[N:5](=[C:6](/[O:7][H:14])[H:16])\[H:15],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C3H6O.CH3NO/c1-3-2-4-3;2-1-3/h3H,2H2,1H3;1H,(H2,2,3)/t3-;/m0./s1",78.54281,38.4175,
6485,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3][H:12])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10].[O:4]([H:13])[H:14],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H7NO.H2O/c1-4(2)5-3-6;/h1,3-4H,2H3,(H,5,6);1H2/t4-;/m1./s1",77.90626,21.21376,
6486,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([O:7]/[C:6](=[N:5]/[H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H9NO2/c1-4(2-6)7-3-5/h3-6H,2H2,1H3/b5-3+/t4-/m0/s1",69.4917,18.034879999999998,ketoenol
6487,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[O:4])[H:12])(/[N:5]=[C:6](\[O:7][H:14])[H:16])[H:11])([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H7NO2.H2/c1-4(2-6)5-3-7;/h2-4H,1H3,(H,5,7);1H/t4-;/m0./s1",73.33010999999999,32.70685,
6488,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[n:5][n:6][o:7]1)([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([N-:4][H:11])[n:5]([H:12])[n:6][o+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-3(4)5-6-7-2/h4H2,1H3","InChI=1S/C3H5N3O/c1-2-3(4)5-6-7-2/h4-5H,1H3",70.59361,35.54615,
6489,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[n:5][n:6][o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][N:4]([H:11])[H:12])([H:8])([H:9])[H:10].[N-:5]=[N+:6]=[O:7],"InChI=1S/C3H5N3O/c1-2-3(4)5-6-7-2/h4H2,1H3","InChI=1S/C3H5N.N2O/c1-2-3-4;1-2-3/h4H2,1H3;",75.15149,36.489979999999996,
6490,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[n:5][n:6][o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C+:3][N:4]([H:11])[H:12])[O-:7])([H:8])([H:9])[H:10].[N:5]#[N:6],"InChI=1S/C3H5N3O/c1-2-3(4)5-6-7-2/h4H2,1H3","InChI=1S/C3H5NO.N2/c1-3(5)2-4;1-2/h4H2,1H3;",10.818589999999999,-16.21181,
6491,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[O:1]1/[C:2](=[N:7]\[H:15])[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]1([C:6]([H:12])([H:13])[H:14])[H:11],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H8N2O/c1-3-2-6-4(5)7-3/h3H,2H2,1H3,(H2,5,6)/t3-/m0/s1",113.76935,16.683970000000002,
6492,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C-:6]([H:13])[N+:7]1([H:14])[H:15],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h2H,1,3,5H2,(H,6,7)",86.4312,79.25543,
6493,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]([C:6]([H:12])([H:13])[H:14])([H:11])[N:7]1[H:15],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H8N2O/c1-3-2-5-4(7)6-3/h3H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1",103.62548000000001,-1.02332,
6494,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[N:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]1([C:6]([H:12])([H:13])[H:14])[H:11].[O:1]=[C:2]=[N:7][H:15],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C3H7N.CHNO/c1-3-2-4-3;2-1-3/h3-4H,2H2,1H3;2H/t3-;/m0./s1",103.65499,40.982459999999996,
6495,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[C:5](=[C:6]([H:13])[H:14])([H:11])[H:12].[O-:1][C+:2]([N:3]([C+:4]([H:9])[H:10])[H:8])[N-:7][H:15],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C2H4N2O.C2H4/c1-4-2(3)5;1-2/h3-4H,1H2;1-2H2",90.3107,70.94243,
6496,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[O:1]=[C:2]([N+:3](=[C-:4][H:9])[H:8])[N:7]([C:6]([C:5]([H:10])([H:11])[H:12])([H:13])[H:14])[H:15],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H8N2O/c1-3-6-4(7)5-2/h2,5H,3H2,1H3,(H,6,7)",86.45201999999999,62.5137,
6497,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[O:1]=[C:2]([N:3]=[C:4]([H:9])[H:10])[N:7]([C:6]([C:5]([H:8])([H:11])[H:12])([H:13])[H:14])[H:15],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H8N2O/c1-3-6-4(7)5-2/h2-3H2,1H3,(H,6,7)",113.09618999999999,21.69209,
6498,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[H:9][H:10].[O:1]=[C:2]1[N+:3]([H:8])=[C-:4][C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H6N2O.H2/c7-4-5-2-1-3-6-4;/h6H,1-2H2,(H,5,7);1H",81.64294,62.77441999999999,
6499,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[O:1]([C:2]1=[N:3][C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])[H:8],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)",43.4625,13.53931,ketoenol
6500,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[H:9][H:15].[O:1]=[C:2]=[N:7][C:6]([C:5](/[C:4](=[N:3]/[H:8])[H:10])([H:11])[H:12])([H:13])[H:14],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H6N2O.H2/c5-2-1-3-6-4-7;/h2,5H,1,3H2;1H/b5-2+;",91.75435,39.83115,
6501,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[C:6](=[N:7][H:15])([H:13])[H:14].[O:1]=[C:2]=[N:3][C:4]([C:5]([H:8])([H:11])[H:12])([H:9])[H:10],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C3H5NO.CH3N/c1-2-4-3-5;1-2/h2H2,1H3;2H,1H2",129.47681,36.6833,
6502,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[O:1]1[C:2]([N:7]([C:6]([C:5]([C:4]([H:8])([H:9])[H:10])([H:11])[H:12])([H:13])[H:14])[H:15])=[N:3]1,"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H8N2O/c1-2-3-5-4-6-7-4/h2-3H2,1H3,(H,5,6)",96.47296,88.15054,
6503,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1](#[C:2][C@@:3]1([H:11])[C:4]([H:9])([H:10])[C-:5]=[O+:6][C:7]1([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,6H,3,5H2/t6-/m0/s1",58.00771999999999,9.13211,
6504,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1](#[C:2][C@:3]1([C:4]([H:9])([H:10])[H:11])[C-:5]=[O+:6][C:7]1([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-3-6(2)4-7-5-6/h1H,4H2,2H3/t6-/m0/s1",54.60479,28.72966,
6505,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1](#[C:2][C@@:5]1([H:11])[C:4]([H:9])([H:10])[C:3][C:7]([H:12])([H:13])[O:6]1)[H:8],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-2-6-4-3-5-7-6/h1,6H,4-5H2/t6-/m0/s1",72.94398000000001,37.91193,
6506,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1](#[C:2][C:3]1=[C:5]([H:11])[C:4]1([H:9])[H:10])[H:8].[O:6]=[C:7]([H:12])[H:13],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C5H4.CH2O/c1-2-5-3-4-5;1-2/h1,3H,4H2;1H2",65.44666,25.92793,2+2_cycloaddition
6507,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1]1([H:8])=[C:2]2[C@@:3]3([C:4]([H:9])([H:10])[C@:5]23[H:11])[C:7]([H:12])([H:13])[O:6]1,"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-4-5-2-7-3-6(1,4)5/h2,4H,1,3H2/t4-,6+/m1/s1",123.59579,21.98743,
6508,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1](#[C:2][C:3]1=[C:4]([H:10])[C:5]([H:9])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2",69.19377,-29.9193,
6509,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1](#[C:2][C:3]1([C:4][H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-3-6(2)4-7-5-6/h1-2H,4-5H2",68.91508,69.5295,
6510,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1](#[C:2][C@:3]1([H:9])[C@:5]([C:4][H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-3-6-4-7-5(6)2/h1-2,5-6H,4H2/t5-,6+/m1/s1",65.19167,65.41592,
6511,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1]1([H:8])=[C:2]=[C:3]2[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-2-6-3-5(1)4-7-6/h2,6H,3-4H2/t6-/m0/s1",66.13221999999999,38.94576,
6512,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1](#[C:2][C:3]([C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])=[C:7]([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-3-6(2)4-5-7/h1,5H,2,4H2",32.72415,-31.81012,
6513,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[O:4][C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:5]([O+:4]=[C-:2][C:3]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5(2)6(3,4)7-5/h1-4H3","InChI=1S/C6H12O/c1-5-7-6(2,3)4/h1-4H3",104.9963,37.42731,
6514,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[O:4][C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[O:4][C:5]([C:6]([H:14])([H:15])[H:16])([C:7]([H:17])([H:18])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5(2)6(3,4)7-5/h1-4H3","InChI=1S/C6H12O/c1-5(2)7-6(3)4/h6H,1H2,2-4H3",95.2913,0.30314,
6515,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[O:4][C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([O:4][C:5]([C:2][C:3]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5(2)6(3,4)7-5/h1-4H3","InChI=1S/C6H12O/c1-5-6(2,3)7-4/h1-4H3",113.87768,81.57415,
6516,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[O:4][C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C-:2]([C:3]([H:11])([H:12])[H:13])[O+:4]=[C:5]([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5(2)6(3,4)7-5/h1-4H3",InChI=1S/C6H12O/c1-5(2)7-6(3)4/h1-4H3,67.37414,54.67494,
6517,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[O:4][C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:5]([C:2]([C:3]([H:11])([H:12])[H:13])=[O:4])([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5(2)6(3,4)7-5/h1-4H3","InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3",59.40785,-19.216739999999998,
6518,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C:5]1=[C:6]=[C:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h5H,1,4H2,2H3/t5-/m0/s1",68.11046,-4.67605,
6519,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:8])([H:11])[C:3]([H:12])([H:13])[O:4][C:5]([H:14])=[C:6]=[C:7]1[H:15],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-4-6-7-5-3-1/h1,5H,2,4,6H2",88.825,-3.5956,
6520,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C:7]([H:15])=[C:6]=[C:5]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-6-3-2-4-7-5-6/h3-4,6H,5H2,1H3/t6-/m1/s1",61.844280000000005,7.3977699999999995,
6521,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:7](=[C:6])[H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h3,5-6H,4H2,2H3/t5-,6-/m0/s1",57.181869999999996,48.70955,Singlet_Carbene_Intra_Disproportionation
6522,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[O:4])[H:13])([C:5]1([H:14])[C:6]([H:12])=[C:7]1[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-5(4-7)6-2-3-6/h2-6H,1H3/t5-/m0/s1",80.20051,-1.8819,
6523,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@@:2]2([H:11])[C:3]([H:12])([H:13])[O:4][C@@:5]2([H:14])[C:6][C:7]1([H:9])[H:15],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h5-6H,1-2,4H2/t5-,6-/m0/s1",73.90467,45.38213,
6524,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[O:4])[H:13])([C:5](=[C:6]=[C:7]([H:12])[H:15])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-4-6(2)5-7/h4-6H,1H2,2H3/t6-/m1/s1",67.40930999999999,-23.67512,
6525,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([O:4][C:5]([C:6]#[C:7][H:15])([H:11])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-5-7-6-4-2/h1H,5-6H2,2H3",83.275,67.71392,
6526,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([O:4][C:3](/[C:2](=[C:5](/[C:6]#[C:7][H:15])[H:14])[H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-4-5-6-7-2/h1,4-5H,6H2,2H3/b5-4+",95.44714,-0.72048,
6527,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4]/[C:5]1=[C:6](\[C:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,3,5H,4H2,2H3/b6-3-/t5-/m0/s1",64.55353000000001,43.251459999999994,
6528,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:5]([O:4][C:3]([H:11])([H:12])[H:13])([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-4-6(5-2)7-3/h1,6H,2-3H3/t6-/m0/s1",85.4893,71.25356,
6529,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([O:4][C:5](=[C:6]=[C:7]([H:9])[H:15])[H:14])([H:12])[H:13])[H:11])([H:8])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-5-7-6-4-2/h3,6H,1-2,5H2",46.17658,-0.6584300000000001,
6530,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([O:4][C:5]1([H:14])[C:6]([H:9])=[C:7]1[H:15])([H:12])[H:13])[H:11])([H:8])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-5-7-6-3-4-6/h2-4,6H,1,5H2",84.82251,17.23038,
6531,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]=[C:6](/[C:5](=[N:4]\[N:3]([C:2]#[N:7])[H:8])[H:9])[H:10],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c4-3-6-5-1-2-7/h1-2,6H/b5-1-",107.79978999999999,41.51501,
6532,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]=[c:2]1[n:3]([H:8])[n:4]2[c:5]([H:9])[c:6]([H:10])[n:7]12,"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-4-6-2-1-5(3)6/h1-2H,(H,4,7)",106.09958,76.42319,
6533,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]=[C:2]1[N+:4]([N-:3][H:8])=[C:5]([H:9])[C:6]([H:10])=[N:7]1,"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c4-6-2-1-5-3(6)7/h1-2,4H",31.143259999999998,30.93075,
6534,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]=[C:2]1[N:3]([H:8])/[C:5](=[N:4]\[H:9])[C:6]([H:10])=[N:7]1,"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c4-2-1-5-3(7)6-2/h1H,(H2,4,6,7)",85.68301,-17.37266,
6535,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]=[c:2]1[n-:3][n:4]([H:8])[c+:5]([H:9])[c:6]([H:10])[n:7]1,"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2,5H",69.72628,24.50995,
6536,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]([c:2]1[n:3][n:4][c:5]([H:9])[c:6]([H:10])[n:7]1)[H:8],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)",39.23242,3.84582,ketoenol
6537,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O-:1][C:2]1=[N:7][C:6]([H:10])=[C:5]=[N+:4]([H:9])[N:3]1[H:8],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1H,(H2,4,6,7)",85.65762,50.0645,
6538,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O-:1][N:3]([N-:4][C:5](=[C:6]([N+:7]#[C+:2])[H:10])[H:9])[H:8],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c1-4-2-3-5-6-7/h2-3,6H",120.5481,86.4179,
6539,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]=[c:2]1[n:3][n:4][c:5]([H:9])[c:6]([H:10])[n:7]1[H:8],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)",77.56704,12.41333,
6540,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]([C-:3]([C:4]([O:5][H:15])([H:13])[H:14])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h7H,3,6H2,1H3",65.49479000000001,41.53098,
6541,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])=[C:6]=[N:7][H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h5-7H,3H2,1H3",87.64667,26.18706,
6542,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[C:4]([H:13])[H:14])[C:6]#[N:7])[H:11])([H:8])([H:9])[H:10].[O:5]([H:12])[H:15],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2.H2O/c1-4(3-5)6-2;/h6H,1H2,2H3;1H2",63.62384,7.59563,"1,3_Insertion_ROR"
6543,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C:4]([O:5][H:15])([H:13])[H:14])[H:12])([H:8])([H:9])[H:10].[C:6]=[N:7][H:11],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H7NO.CHN/c1-4-2-3-5;1-2/h2,5H,3H2,1H3;2H/b4-2+;",51.60524,36.97698,
6544,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[O:5]/[C:6]1=[N:7]\[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-6-3-2-7-4(3)5/h3,5-6H,2H2,1H3/b5-4-/t3-/m0/s1",75.81405,12.44638,
6545,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C-:1]([N+:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,7H,1,3,6H2/t4-/m1/s1",85.51561,70.17668,
6546,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3](=[C:4](\[O:5][H:15])[H:14])[H:12])[H:11])([H:8])([H:9])[H:10].[C:6](#[N:7])[H:13],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H7NO.CHN/c1-4-2-3-5;1-2/h2-5H,1H3;1H/b3-2-;",91.11105,20.75536,
6547,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[C:6]=[N:7][H:15])[H:12])[H:11])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:13])[H:14],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H6N2.CH2O/c1-5-3-2-4;1-2/h3-5H,1H3;1H2",50.68683,45.50287,Retroene
6548,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]([C-:3]([C:6]#[N:7])[H:12])([C:4]([O:5][H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-6(4-7)3-2-5/h3,6-7H,4H2,1H3",93.60186,47.491009999999996,
6549,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C+:1]([N:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])=[C:6]=[N-:7])[H:11])([H:8])[H:9].[H:10][H:12],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2O.H2/c1-6-4(2-5)3-7;/h6-7H,1,3H2;1H",66.34631999999999,50.097770000000004,
6550,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([N+:7]#[C-:6])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-5-4(3-7)6-2/h4-5,7H,3H2,1H3/t4-/m1/s1",47.78597,18.61758,
6551,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:6]1=[N:7][C@@:3]1([C:4]([O:5][H:15])([H:13])[H:14])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-5-4-3(2-7)6-4/h3,7H,2H2,1H3,(H,5,6)/t3-/m1/s1",96.60625,28.88145,
6552,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[N:2]([H:11])[C@:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:12])[C:6][N:7]1[H:10],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c7-2-4-1-5-3-6-4/h4-7H,2-3H2/t4-/m1/s1",81.10472,40.075790000000005,
6553,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][H:11])([H:8])[H:9].[C:3]([C:4]([O:5][H:15])([H:13])[H:14])(=[C:6]=[N:7][H:10])[H:12],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H5NO.CH3N/c4-2-1-3-5;1-2/h1,4-5H,3H2;2H,1H2",68.78102,37.5915,Retroene
6554,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[O:1]([C@:2]1([H:9])[N:6]2[C@@:3]3([H:10])[C@:4]([H:11])([C:5]3([H:12])[H:13])[C@@:7]12[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H7NO/c7-5-4-2-1-3(2)6(4)5/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m0/s1",90.67433,-23.63,
6555,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[O:1]=[C:2]([C@@:3]1([H:10])[C:4]2([H:11])[C:5]([H:12])([H:13])[N:6]1[C:7]2([H:8])[H:14])[H:9],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H7NO/c7-3-5-4-1-6(5)2-4/h3-5H,1-2H2/t5-/m0/s1",77.08154,-13.16441,
6556,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[O:1]([C@:2]1([H:9])[C@:3]2([H:10])[C-:4]3[N+:6]2([C:5]([H:11])([H:12])[H:13])[C@@:7]13[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H7NO/c1-6-2-3(6)5(7)4(2)6/h3-5,7H,1H3/t3-,4+,5+,6?",77.89703,37.632509999999996,
6557,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[O:1]([C@@:2]1([H:9])[C:3][C@:4]2([H:11])[C:5]([H:12])([H:13])[N:6]([H:10])[C@:7]12[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H7NO/c7-4-1-3-2-6-5(3)4/h3-7H,2H2/t3-,4+,5+/m1/s1",66.20326,39.59497,
6558,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C:4][C:5]([H:12])([H:13])[N:6]2[C:7]1([H:11])[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4-5,7H,2-3H2/t4-,5-/m1/s1",69.1733,44.61699,
6559,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[O:1](/[C:2](=[C:3](/[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]=[C:7]1[H:14])[H:10])[H:9])[H:8],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H7NO/c7-2-1-5-3-6-4-5/h1-3,5,7H,4H2/b2-1+/t5-/m0/s1",50.00266,-44.702729999999995,
6560,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[H:8][H:9].[O:1]=[C:2]1[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H5NO.H2/c7-5-3-2-1-6(3)4(2)5;/h2-4H,1H2;1H/t2-,3+,4-;",82.02186,16.4212,
6561,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C-:4]3[C:5]([H:12])([H:13])[N+:6]23[C:7]1([H:11])[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H7NO/c7-4-2-6-1-3(6)5(4)6/h4-5,7H,1-2H2/t4-,5-,6?/m1/s1",69.1894,36.16644,
6562,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[C:2]1[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14].[O:1]([H:8])[H:9],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H5N.H2O/c1-4-3-2-6(4)5(1)3;/h3-5H,2H2;1H2/t3-,4-,5+;",80.0361,69.10564000000001,
6563,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([N+:7]#[C-:6])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3","InChI=1S/C6H11N/c1-4-6(5-2)7-3/h6H,4-5H2,1-2H3",59.04277,21.11431,
6564,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([H:13])/[C:6]1=[N:7]/[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3","InChI=1S/C6H11N/c1-3-5-4(2)6(5)7/h4-5,7H,3H2,1-2H3/b7-6+/t4-,5-/m1/s1",108.03761999999999,36.17348,
6565,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[C@:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([H:13])[C:6][N:7]1[H:9],"InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3","InChI=1S/C6H11N/c1-2-6-3-4-7-5-6/h6-7H,2-4H2,1H3/t6-/m1/s1",96.88478,43.99385,
6566,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:6]=[N:7][C:5]([C:4]([H:14])([H:15])[H:17])([H:16])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3","InChI=1S/C6H11N/c1-3-5-6-7-4-2/h5H,3-4H2,1-2H3",101.10072,30.01874,
6567,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:6]=[N:7][H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:16])[H:18])([H:14])[H:15],"InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3","InChI=1S/C4H7N.C2H4/c1-2-3-4-5;1-2/h3,5H,2H2,1H3;1-2H2",69.42604,49.22378,Retroene
6568,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:6]([C:5]([C:4]([H:14])([H:15])[H:17])([H:16])[H:18])=[N:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3","InChI=1S/C6H11N/c1-3-5-6(4-2)7-5/h5H,3-4H2,1-2H3/t5-/m0/s1",136.35618,37.22956,
6569,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])[H:11])([H:8])[H:10].[H:9][H:12],"InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3","InChI=1S/C6H9N.H2/c1-3-6(4-2)5-7;/h3,6H,1,4H2,2H3;1H/t6-;/m0./s1",117.64491000000001,32.37372,
6570,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:6]([H:17])=[N:7]1)([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:16])[H:18])([H:14])[H:15],"InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3","InChI=1S/C4H7N.C2H4/c1-2-4-3-5-4;1-2/h3-4H,2H2,1H3;1-2H2/t4-;/m0./s1",107.09151999999999,68.79757,
6571,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1)([H:8])([H:9])[H:10].[C:6]([C:7]([H:17])([H:18])[H:19])([H:14])([H:15])[H:16],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C4H6O.C2H6/c1-4-2-3-5-4;1-2/h4H,3H2,1H3;1-2H3/t4-;/m1./s1",157.96188,92.68975999999999,
6572,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2][C:5]([C:4]([O:3][H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C6H12O/c1-4-6(2,3)5-7/h7H,5H2,1-3H3",74.54699000000001,62.14127,
6573,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:17])([C:5]1([C:6]([H:14])([H:15])[H:16])[C:4]([H:12])([H:13])[C:7]1([H:18])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C6H12O/c1-5(7)6(2)3-4-6/h5,7H,3-4H2,1-2H3/t5-/m1/s1",100.99693,-1.61589,
6574,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:6]([H:15])([H:16])[C:5]1=[C:7]([H:18])[H:19])([H:8])([H:9])[H:10].[H:14][H:17],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C6H10O.H2/c1-5-3-4-7-6(5)2;/h6H,1,3-4H2,2H3;1H/t6-;/m1./s1",122.91488000000001,15.163260000000001,
6575,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O+:3]=[C-:4][H:12])([C:5]([C:6]([H:14])([H:15])[H:16])([C:7]([H:17])([H:18])[H:19])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C6H12O/c1-5(2)6(3)7-4/h4-6H,1-3H3/t6-/m1/s1",82.42604,45.186170000000004,
6576,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:5]([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])[H:11])([H:8])([H:9])[H:10].[O:3]=[C:4]([H:12])[H:13],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C5H10.CH2O/c1-4-5(2)3;1-2/h4H,1-3H3;1H2",63.10211999999999,9.06435,2+2_cycloaddition
6577,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C-:2]1=[O+:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C5H8O.CH4/c1-5(2)3-6-4-5;/h3H2,1-2H3;1H4",88.03562,58.703880000000005,
6578,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1=[C:7]([H:18])[H:19])([H:8])([H:9])[H:10].[C:6]([H:14])([H:15])([H:16])[H:17],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C5H8O.CH4/c1-4-3-6-5(4)2;/h5H,1,3H2,2H3;1H4/t5-;/m1./s1",115.69505,21.054029999999997,
6579,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:13])([C:5]([C:4][H:12])([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C6H12O/c1-5(7)6(2,3)4/h2,5,7H,1,3-4H3/t5-/m1/s1",78.08788,75.13509,
6580,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([O:3][C:4]([C:5]([C:2][H:11])([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C6H12O/c1-6(2,3)5-7-4/h1H,5H2,2-4H3",125.37888999999998,87.30046,
6581,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:5]([C:4]([O:3][H:8])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])[H:11])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C6H12O/c1-4-6(2,3)5-7/h4,7H,1,5H2,2-3H3",61.96898,-4.7272300000000005,
6582,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2][H:11])([H:8])([H:9])[H:10].[O:3]1[C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C4H8O.C2H4/c1-4(2)3-5-4;1-2/h3H2,1-2H3;1H,2H3",115.46808999999999,100.11013,
6583,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:6]#[C:7][H:15])[C:3]([H:12])([H:13])[C@@:4]1([C:5][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C7H8/c1-4-7(3)5-6(7)2/h1-2,6H,5H2,3H3/t6-,7-/m0/s1",91.94887,63.15433,
6584,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:7](=[C:6]=[C:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])[H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C7H8/c1-3-5-7-6-4-2/h1,4,7H,5H2,2H3",96.05434,-1.64172,
6585,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2=[C:5]([H:14])[C:6]2=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C7H8/c1-5-2-6-4-7(6)3-5/h2,4-5H,3H2,1H3/t5-/m1/s1",61.7672,22.09816,
6586,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:7](=[C:6])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C7H8/c1-4-6-7(3)5-2/h1,5,7H,6H2,3H3/t7-/m1/s1",59.06823000000001,46.43595,Singlet_Carbene_Intra_Disproportionation
6587,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:6]#[C:7][H:15])[H:11])([H:8])[H:9].[C:3](=[C:4]=[C:5]([H:10])[H:14])([H:12])[H:13],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C4H4.C3H4/c1-3-4-2;1-3-2/h1,4H,2H2;1-2H2",56.92442,20.02135,Retroene
6588,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4](=[C:5])[C:6]1=[C:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C7H8/c1-5-4-6(2)7(5)3/h5H,3-4H2,1H3/t5-/m0/s1",91.18503,41.748509999999996,
6589,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]2[C:6]1=[C:7]2[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C7H8/c1-5-2-3-6-4-7(5)6/h3-5H,2H2,1H3/t5-/m0/s1",85.21218,23.25339,
6590,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]=[C:7]([C:5](=[C:4]=[C:3]([H:12])[H:13])[H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C7H8/c1-3-5-7-6-4-2/h4-5,7H,1H2,2H3",41.37871,-5.0461,6_membered_central_C-C_shift
6591,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])=[C:6]=[C:7]([H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C7H8/c1-4-6-7(3)5-2/h1H,2,6H2,3H3",79.49504,-2.7810599999999996,
6592,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[C:4]=[C:5]([H:13])[H:14])[H:12])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C7H8/c1-4-6-7(3)5-2/h2,6-7H,1H2,3H3/t7-/m1/s1",84.06179,-0.54089,
6593,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C:4](=[O:5])[H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:13])[H:14],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C3H5NO.CH2O/c1-4-2-3-5;1-2/h2-3H,1H3;1H2/b4-2+;",81.34048,22.5595,
6594,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]=[C:4]([O:5][H:12])[H:11])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:13])[H:14],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C3H5NO.CH2O/c1-4-2-3-5;1-2/h3,5H,1H3;1H2",83.11691,44.32022,
6595,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3](=[O:7])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO2/c1-5-3-7-2-4(5)6/h2-3H2,1H3",61.250409999999995,-16.70014,ketoenol
6596,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[N:2]#[C:3][C:4]([O:5][C:6](=[O:7])[H:13])([H:11])[H:12],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C3H3NO2.CH4/c4-1-2-6-3-5;/h3H,2H2;1H4",120.0378,-8.49682,
6597,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C-:4]([O+:5]=[C:6]([H:13])[H:14])([H:11])[H:12].[C:1]([N:2]=[C:3]=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-",InChI=1S/C2H3NO.C2H4O/c1-3-2-4;1-3-2/h1H3;1-2H2,69.09751999999999,66.72179,
6598,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]1/[C-:4]=[O+:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H5NO2.H2/c1-5-4-2-6-3-7-4;/h3H2,1H3;1H/b5-4-;",86.03644,69.65574000000001,
6599,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3](=[O:7])[C:4]1([H:11])[H:12])([H:8])([H:9])[H:10].[O:5]=[C:6]([H:13])[H:14],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C3H5NO.CH2O/c1-4-2-3(4)5;1-2/h2H2,1H3;1H2",62.400259999999996,37.38384,
6600,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([O:7][C:6]([O:5][C:4]([C:3]#[N:2])([H:11])[H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO2/c1-6-4-7-3-2-5/h3-4H2,1H3",100.8851,8.20525,
6601,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C:4]([O+:5]=[C-:6][H:14])([H:11])[H:12])[O:7][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO2/c1-5-4(6)3-7-2/h2H,3H2,1H3,(H,5,6)",81.87179,61.81977,
6602,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](/[N:5]=[C:6](/[O:7][H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1",45.57841,11.5539,ketoenol
6603,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@:2]([O:3][H:12])([H:11])[C:4]([H:13])([H:14])[N:5]([H:15])[C@@:6]1([O:7][H:10])[H:16],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H9NO2/c6-3-1-4(7)5-2-3/h3-7H,1-2H2/t3-,4-/m1/s1",86.63391,15.113170000000002,
6604,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4]([O:7]/[C:6](=[N:5]/[H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H9NO2/c1-4(6)2-7-3-5/h3-6H,2H2,1H3/b5-3+/t4-/m1/s1",71.00039,16.43127,ketoenol
6605,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C-:2](=[O+:3][H:12])[C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C3H5NO2.CH4/c5-2-1-4-3-6;/h3,5H,1H2,(H,4,6);1H4",87.11691,59.83144,
6606,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([N:5]([C:6]([O:7][H:12])([H:11])[H:16])[H:15])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h5-6H,2-3H2,1H3",57.8068,19.99444,
6607,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])[H:9].[O:3]([H:10])[H:12],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H7NO.H2O/c1-2-3-5-4-6;/h2,4H,1,3H2,(H,5,6);1H2",66.57958,16.796229999999998,"1,3_Insertion_ROR"
6608,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]1([H:13])[H:14])([H:8])([H:9])[H:10].[N:5](=[C:6](/[O:7][H:12])[H:16])\[H:15],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C3H6O.CH3NO/c1-3-2-4-3;2-1-3/h3H,2H2,1H3;1H,(H2,2,3)/t3-;/m1./s1",80.93374,40.18885,
6609,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4](/[N:5]=[C:6](\[O:7][H:12])[H:16])([H:13])[H:14])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H7NO2.H2/c1-4(7)2-5-3-6;/h3H,2H2,1H3,(H,5,6);1H",70.46573000000001,28.19238,
6610,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:12])=[C:4]([H:13])[H:14])([H:8])([H:9])[H:10].[N:5](=[C:6](/[O:7][H:11])[H:16])\[H:15],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C3H6O.CH3NO/c1-3(2)4;2-1-3/h4H,1H2,2H3;1H,(H2,2,3)",67.17511,24.07773,Retroene
6611,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:12])[H:11])([H:8])[H:9].[C:4](=[N:5][H:15])([H:13])[H:14].[C:6](=[O:7])([H:10])[H:16],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C2H4O.CH3N.CH2O/c1-2-3;2*1-2/h2-3H,1H2;2H,1H2;1H2",96.55742,65.88839,
6612,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:4]([N:5]([C+:6]([O-:7])[H:16])[H:15])[H:14])[H:11])([H:8])([H:9])[H:10].[O:3]([H:12])[H:13],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H7NO.H2O/c1-2-3-5-4-6;/h2-5H,1H3;1H2",64.23895999999999,14.57911,"1,3_Insertion_ROR"
6613,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C-:4]([N:5]([C+:6]([O:7][H:13])[H:16])[H:15])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h2-7H,1H3/t4-/m1/s1",62.68294,56.24279,
6614,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2][C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:8])([H:9])[H:10].[O:3]([H:11])[H:12],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H7NO.H2O/c1-2-3-5-4-6;/h4H,3H2,1H3,(H,5,6);1H2",76.76031,81.38982,
6615,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6][O:7][H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h4-7H,2H2,1H3/t4-/m1/s1",73.8503,41.19117,
6616,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:6](=[O:7])[H:16])[H:11])([H:8])([H:9])[H:10].[C:4](=[N:5][H:15])([H:13])[H:14],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C3H6O2.CH3N/c1-3(5)2-4;1-2/h2-3,5H,1H3;2H,1H2/t3-;/m1./s1",104.6276,35.86545,
6617,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]=[C:6]=[O:7])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H7NO2.H2/c1-4(7)2-5-3-6;/h4,7H,2H2,1H3;1H/t4-;/m1./s1",80.95344,18.76274,
6618,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:4]([H:13])([H:14])[N:5]1[H:15])([H:8])([H:9])[H:10].[O:3]([C:6](=[O:7])[H:16])[H:12],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C3H7N.CH2O2/c1-3-2-4-3;2-1-3/h3-4H,2H2,1H3;1H,(H,2,3)/t3-;/m1./s1",90.34555,29.399359999999998,
6619,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:6]([O:7][H:12])([H:16])[N:5]([H:15])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H9NO2/c1-3-2-5-4(6)7-3/h3-6H,2H2,1H3/t3-,4-/m1/s1",45.31245,12.87808,
6620,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C3H9NO.CO/c1-3(5)2-4;1-2/h3,5H,2,4H2,1H3;/t3-;/m1./s1",84.11673,13.179379999999998,"1,2_Insertion_CO"
6621,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:6](=[O:7])[N:5]([H:15])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10].[H:12][H:16],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H7NO2.H2/c1-3-2-5-4(6)7-3;/h3H,2H2,1H3,(H,5,6);1H/t3-;/m1./s1",83.21296,5.6851400000000005,
6622,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O:1]1[C@@:2]2([H:8])[C@@:3]3([H:9])[C@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]23,"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c1-2-6-4-3(1)7-5(4)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1",56.728,-0.76664,
6623,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O:1]([C@:2]1([H:8])[C@@:3]2([H:9])[C@@:4]3([H:10])[C:5]([H:11])([H:12])[C@:6]1([H:14])[N:7]23)[H:13],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5+,6?/m1/s1",82.70031,7.90477,
6624,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O:1]=[C:2](/[C:3](=[C:4](\[N:7]1[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:10])[H:9])[H:8],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c7-5-1-2-6-3-4-6/h1-2,5H,3-4H2/b2-1-",63.43723000000001,-11.39552,
6625,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[H:8][H:10].[O:1]=[C-:2][C@@:3]1([H:9])[C:4]2=[N+:7]1[C:6]([H:13])([H:14])[C:5]2([H:11])[H:12],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H5NO.H2/c7-3-5-4-1-2-6(4)5;/h5H,1-2H2;1H/t5-;/m0./s1",116.56648,87.79413000000001,
6626,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[C-:4]2[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N+:7]12[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3,5-6H,1-2H2/t5-/m0/s1",60.1847,45.77875,
6627,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O-:1][C:2](=[C:3]([N+:7]1=[C:4]([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:9])[H:8],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c7-5-4-6-2-1-3-6/h2,4-5H,1,3H2",36.13236,-4.739,
6628,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O-:1][C:2](=[C:3]1[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N+:7]12[H:9])[H:8],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-4,7H,1-2H2/t4-,6?/m1/s1",53.74289,28.898509999999998,
6629,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O-:1][C:2](=[C:3]([N+:7]([C:4](=[C:5]([H:11])[H:12])[H:10])=[C:6]([H:13])[H:14])[H:9])[H:8],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c1-3-6(2)4-5-7/h3-5H,1-2H2",63.344930000000005,0.26018,
6630,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O:1](/[C:2](=[C:3](\[N:7]1[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C@:6]21[H:14])[H:9])[H:8])[H:13],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c7-2-1-6-4-3-5(4)6/h1-2,4-5,7H,3H2/b2-1-/t4-,5+,6?",75.12047,23.94731,
6631,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O:1]1[C:2]([H:8])=[C:3]([H:9])[N:7]2[C:4]([H:10])([H:12])[C:5]1([H:11])[C:6]2([H:13])[H:14],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c1-2-7-5-3-6(1)4-5/h1-2,5H,3-4H2",78.77968,-0.10023,
6632,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[C:3]1([H:8])([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12.[O+:1]#[C-:2],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C4H7N.CO/c1-2-5-3-4(1)5;1-2/h4H,1-3H2;/t4-,5?;/m1./s1",86.79852,-3.5931900000000003,"1,2_Insertion_CO"
6633,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[C:3]1([H:9])=[C:4]([H:10])[N:7]1[C:6]([C:5]([H:8])([H:11])[H:12])([H:13])[H:14].[O+:1]#[C-:2],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C4H7N.CO/c1-2-5-3-4-5;1-2/h3-4H,2H2,1H3;",91.39258000000001,32.66152,
6634,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O:1]1[C:2]([H:8])([H:13])[C@@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]([H:14])=[N:7]1)[H:9],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c1-2-6-4(1)5-3-7-5/h2,4-5H,1,3H2/t4-,5-/m1/s1",73.46764,3.1001,
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6658,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10].[C:3]1([H:11])=[C:6]([H:14])[O:5][C:4]1([H:12])[H:13],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C3H4O.C2H6O/c1-2-4-3-1;1-3-2/h1-2H,3H2;1-2H3",119.15498000000001,32.21833,
6659,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([O:5][C:7]([H:15])([H:16])[H:17])([H:12])[H:13])([C:6][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-5(7-3)4-6-2/h1,5H,4H2,2-3H3/t5-/m1/s1",122.8387,85.53505,
6660,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]1[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:9])[H:10].[H:8][H:11],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H8O2.H2/c1-4-5(6-2)3-7-4;/h4H,2-3H2,1H3;1H/t4-;/m0./s1",86.07468,84.62384,
6661,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[C:6](\[C:7]([H:15])([H:16])[H:17])[H:14])[H:11])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:12])[H:13],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C4H8O.CH2O/c1-3-4-5-2;1-2/h3-4H,1-2H3;1H2/b4-3-;",65.296,7.459210000000001,2+2_cycloaddition
6662,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:5][C:4]([C@:3]([O-:2])([C+:6]([C:7]([H:15])([H:16])[H:17])[H:14])[H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-3-5(6)4-7-2/h3,5H,4H2,1-2H3/t5-/m1/s1",91.18089,59.89383,
6663,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][H:12])([H:8])([H:9])[H:10].[C:3]1([H:11])=[C:4]([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH4O/c1-4-2-3-5-4;1-2/h2-4H,1H3;2H,1H3/t4-;/m0./s1",76.18904,18.25319,"1,3_Insertion_ROR"
6664,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][H:17])([H:8])([H:9])[H:10].[C@:3]12([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]1([H:14])[C:7]2([H:15])[H:16],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH4O/c1-3-2-5-4(1)3;1-2/h3-4H,1-2H2;2H,1H3/t3-,4-;/m0./s1",101.27463,30.31563,
6665,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[C:7]([H:15])[H:17])([H:8])([H:9])[H:10].[H:14][H:16],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H8O2.H2/c1-4-5(6-2)3-7-4;/h5H,1,3H2,2H3;1H/t5-;/m0./s1",108.30587,27.260790000000004,
6666,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:6]([O+:5]=[C-:4][H:12])([C:7]([H:15])([H:16])[H:17])[H:14])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-5(7-3)4-6-2/h3,5H,4H2,1-2H3/t5-/m0/s1",83.56649,51.43319,
6667,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@:5]1([H:13])[C:6]([H:14])=[C:7]2[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@:5]1([H:13])[C:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-5-2-3-6(4)7-5/h2-6H,1H3/t4-,5-,6+","InChI=1S/C6H8O/c1-4-5-2-3-6(4)7-5/h4-6H,2H2,1H3/t4-,5-,6+/m0/s1",63.07274,55.138740000000006,Singlet_Carbene_Intra_Disproportionation
6668,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@:5]1([H:13])[C:6]([H:14])=[C:7]2[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@@:3]2([H:12])[O:4][C:5]([H:13])=[C:6]([H:14])[C@@:7]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-5-2-3-6(4)7-5/h2-6H,1H3/t4-,5-,6+","InChI=1S/C6H8O/c1-4-5-2-3-7-6(4)5/h2-6H,1H3/t4-,5-,6+/m0/s1",39.11379,-22.854570000000002,
6669,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@:5]1([H:13])[C:6]([H:14])=[C:7]2[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[C:7]([H:15])[C+:6]([H:14])[C@:5]1([O:4][H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-5-2-3-6(4)7-5/h2-6H,1H3/t4-,5-,6+","InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h2,4-7H,1H3/t5-,6+/m0/s1",69.60998000000001,28.8009,
6670,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@:5]1([H:13])[C:6]([H:14])=[C:7]2[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:7]2([H:15])[C:6]([H:14])=[C:5]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-5-2-3-6(4)7-5/h2-6H,1H3/t4-,5-,6+","InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2-6H,1H3/t4-,5+,6-/m1/s1",36.046440000000004,-22.817970000000003,
6671,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:4]([H:12])[H:13])([H:8])([H:9])[H:10].[C:5](=[C:6]=[O:7])([H:14])[H:15],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H6O.C2H2O/c1-3(2)4;1-2-3/h4H,1H2,2H3;1H2",52.01856,16.66958,
6672,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10].[O:3]([H:8])[H:11],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1",InChI=1S/C5H6O.H2O/c1-4-2-3-5(4)6;/h1-3H2;1H2,68.49308,14.470989999999999,"1,3_Insertion_ROR"
6673,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2][C:4]([C:5]([C:6]([O:3][H:11])=[O:7])([H:14])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H2,1H3,(H,6,7)",63.59446,48.87053,
6674,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:6]([C:5]([C:4]([C:2][O:3][H:11])([H:12])[H:13])([H:14])[H:15])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h6H,2-3H2,1H3",66.61531,41.739470000000004,
6675,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([C:5]([C:6](=[O:7])[H:11])([H:14])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h4H,2-3H2,1H3",73.28448,-10.88603,
6676,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C@:2]([O:3][H:11])([C:4](=[C:5]([H:14])[H:15])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H8O.CO/c1-3-4(2)5;1-2/h3-5H,1H2,2H3;/t4-;/m0./s1",80.67949,5.30853,
6677,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:6]=[O:7])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H4O2.C2H4/c1-3(5)2-4;1-2/h5H,1H3;1-2H2",54.20548,36.19194,
6678,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:6]1([O:7][H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3",32.88165,1.26601,
6679,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])([C:4]([H:12])([H:13])[H:15])[C:6](=[C+:5][H:14])[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-4(6)5(2,3)7/h1,7H,2-3H3",73.78711,70.65253,
6680,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[C:6]=[O:7])[H:15])([H:12])[H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h2,5,7H,3H2,1H3/t5-/m1/s1",75.87101,3.9023,
6681,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2](=[O:3])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7].[H:8][H:11],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1",InChI=1S/C5H6O2.H2/c6-4-1-2-5(7)3-4;/h1-3H2;1H,93.50667,-1.8895099999999998,
6682,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6](=[O:7])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-5(7)2-4(5)3-6/h3-4,7H,2H2,1H3/t4-,5-/m1/s1",75.87583000000001,7.371810000000001,
6683,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:11])=[C:4](\[C:5]([C:6](=[O:7])[H:13])([H:14])[H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h3-4,7H,2H2,1H3/b5-3+",102.24824,-0.3009,
6684,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:4]([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10].[O:3]([H:11])[H:12],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H6O.H2O/c1-4-2-3-5(4)6;/h2H,3H2,1H3;1H2",70.87256,12.66977,"1,3_Insertion_ROR"
6685,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2]1([O:3][H:11])=[C:4]([H:12])[C:5]([H:14])([H:15])[C:6]1=[O:7],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H4O2.CH4/c5-3-1-2-4(3)6;/h1,5H,2H2;1H4",113.01253,16.614079999999998,
6686,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:11])[C@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10].[H:8][H:12],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H6O2.H2/c1-3(6)4-2-5(4)7;/h4,6H,1-2H2;1H/t4-;/m0./s1",123.11745,46.26664,
6687,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:6](=[C:5]([H:14])[H:15])[O:7][H:11])[O:3][C:4]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-4(6)5(2)3-7-5/h6H,1,3H2,2H3/t5-/m1/s1",78.91017,17.105339999999998,
6688,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2](/[C:3](=[N:4]\[C:5]([N:6]([H:12])[H:13])=[O:7])[H:11])[H:9])([H:8])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-2-3-6-4(5)7/h2-3H,1H2,(H2,5,7)/b6-3-",75.04061999999999,9.48573,
6689,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([c:2]1[c-:3][n:4]([H:11])[c:5]([N:6]([H:12])[H:13])[o+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h6H,5H2,1H3",85.15305,49.90803,
6690,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:9])([H:11])[N:4]=[C:5]([N:6]([H:12])[H:13])[O:7]1)([H:8])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h1-2H2,(H2,5,6)",81.07285,11.47614,
6691,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[N:4][C:5]([N:6]([H:12])[H:13])=[O:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-2-3-6-4(5)7/h2H,1H3,(H2,5,7)",67.72853,14.57434,
6692,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C@:3]1([H:11])[N:4]=[C:5]1[N:6]([H:12])[H:13])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-2(7)3-4(5)6-3/h3H,1H3,(H2,5,6)/t3-/m0/s1",68.82939,35.2576,ketoenol
6693,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:5]([N:6]([H:12])[H:13])=[O:7])[C:3]([H:11])=[N:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-4(2-6-4)3(5)7/h2H,1H3,(H2,5,7)/t4-/m0/s1",97.42349,30.0607,
6694,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])[C:3]([H:11])=[N:4]/[C:5](=[N:6]\[H:13])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2-3,5H,1H3/b5-4+/t3-/m0/s1",98.3677,13.20795,
6695,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])=[N:4][C@:5]1([N:6]([H:12])[H:13])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-3-2-6-4(3,5)7-3/h2H,5H2,1H3/t3-,4+/m1/s1",84.48987,72.51274000000001,
6696,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[C-:2]=[O+:7][C:5]([N:6]([H:12])[H:13])=[N:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-3-2-7-4(5)6-3/h3H,1H3,(H2,5,6)/t3-/m0/s1",73.80833,54.46075,
6697,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]=[O:7])[H:11])([H:8])([H:9])[H:10].[N:4]#[C:5][N:6]([H:12])[H:13],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C3H4O.CH2N2/c1-2-3-4;2-1-3/h2H,1H3;2H2",91.51478,33.51232,
6698,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])/[c:5](=[N:6]/[H:13])[o:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)",57.432809999999996,8.43263,
6699,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[n:6][o:7]1)[H:8],[O+:1](=[C-:2][H:8])[c:3]1[n:4][c:5]([H:9])[n:6][o:7]1,InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h1-2H,InChI=1S/C3H2N2O2/c1-6-3-4-2-5-7-3/h1-2H,92.87971999999999,69.28256999999999,
6700,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[n:6][o:7]1)[H:8],[O:1]=[c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6][o:7]1,InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h1-2H,InChI=1S/C3H2N2O2/c6-3-1-4-2-5-7-3/h1-2H,95.98645,9.458060000000001,
6701,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[n:6][o:7]1)[H:8],[O-:1][C:2](=[C:3]=[N:4][C:5](=[N+:6]=[O:7])[H:9])[H:8],InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h1-2H,InChI=1S/C3H2N2O2/c6-2-1-4-3-5-7/h2-3H,86.60752,69.9613,
6702,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[n:6][o:7]1)[H:8],[O:1]=[C:2]([C:3]1=[N:4][C:5]([H:9])=[N+:6]1[O-:7])[H:8],InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h1-2H,InChI=1S/C3H2N2O2/c6-1-3-4-2-5(3)7/h1-2H,86.61569,86.88771,
6703,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[n:6][o:7]1)[H:8],[O:1]([C+:2]=[C:3]1[N:4]=[C:5]([H:9])[N-:6][O:7]1)[H:8],InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h1-2H,"InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h2H,(H-,4,5,6)",82.6422,50.550979999999996,
6704,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[n:6][o:7]1)[H:8],[O:1]=[C:2]=[C:3]1[N:4]=[C:5]([H:9])[N:6]([H:8])[O:7]1,InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h1-2H,"InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h2H,(H,4,5)",95.24136999999999,46.370059999999995,
6705,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[n:6][o:7]1)[H:8],[O:1]=[C:2]([C:3]([N:4]=[C:5]=[N:6][H:9])=[O:7])[H:8],InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h1-2H,"InChI=1S/C3H2N2O2/c4-2-5-3(7)1-6/h1,4H",53.446369999999995,-14.84099,
6706,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[n:6][o:7]1)[H:8],[O+:1]#[C-:2].[c-:3]1[n:4]([H:8])[c:5]([H:9])[n:6][o+:7]1,InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h1-2H,"InChI=1S/C2H2N2O.CO/c1-3-2-5-4-1;1-2/h1H,(H,3,4);",60.60677,24.85068,
6707,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[n:6][o:7]1)[H:8],[O:1]=[C:2]([O:7][N:6]=[C:5]([N+:4]#[C-:3])[H:9])[H:8],InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h1-2H,InChI=1S/C3H2N2O2/c1-4-2-5-7-3-6/h2-3H,77.35043,33.10897,
6708,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[n:6][o:7]1)[H:8],[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:9])=[N:6]1)=[O:7])[H:8],InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h1-2H,InChI=1S/C3H2N2O2/c6-1-3(7)5-2-4-5/h1-2H,66.41566999999999,52.94392,ketoenol
6709,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[C:3]1([H:10])([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15].[O:1]([C:2][H:9])[H:8],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C4H6O.CH2O/c1-3-2-5-4(1)3;1-2/h3-4H,1-2H2;1-2H/t3-,4-;/m0./s1",89.91471999999999,77.88608,
6710,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[C:7](\[C@@:5]1([H:12])[O:4][C:6]1([H:13])[H:14])[H:15])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c6-3-1-2-5-4-7-5/h1-2,5-6H,3-4H2/b2-1-/t5-/m1/s1",93.93189,-6.65527,
6711,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@:5]([C:6]([H:13])([H:14])[H:15])([H:12])[C:7]1)([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(3-6)7-4/h4-6H,3H2,1H3/t4-,5-/m0/s1",61.817809999999994,55.483630000000005,
6712,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[H:11][H:12].[O:1]([C:2]([C:3]1=[O+:4][C-:5]2[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2.H2/c6-2-5-3-1-4(3)7-5;/h3,6H,1-2H2;1H/t3-;/m1./s1",99.98173,67.09208000000001,
6713,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@:5]([C:6][H:14])([H:12])[C:7]1([H:13])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(3-6)7-4/h1,4-6H,2-3H2/t4-,5-/m0/s1",62.16956999999999,60.2099,
6714,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[O+:4]=[C-:5][C@:7]1([C:6]([H:12])([H:13])[H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-3-7-5(4)2-6/h4-6H,2H2,1H3/t4-,5-/m1/s1",53.612869999999994,26.437209999999997,
6715,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[H:8][H:11].[O:1]=[C:2]([C@:3]1([H:9])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:10],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2.H2/c6-2-5-3-1-4(3)7-5;/h2-5H,1H2;1H/t3-,4+,5+;/m1./s1",85.77991,22.20298,
6716,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[C:7](\[C:6]([C:5](=[O:4])[H:12])([H:13])[H:14])[H:15])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h1-2,5-6H,3-4H2/b2-1-",41.4228,-27.78895,
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6718,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[O+:4][C-:5]([H:12])[C:6]([H:13])([H:14])[C:7]1([H:11])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c6-4-5-2-1-3-7-5/h3,6H,1-2,4H2",75.34328000000001,22.0011,
6719,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[O:1]([C:2]([O:4][C@@:5]1([H:12])[C:6]([H:13])([H:14])[C@:7]1([C:3][H:11])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(4)7-3-6/h1,4-6H,2-3H2/t4-,5+/m1/s1",113.86343000000001,63.19546,
6720,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[O:4][C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c6-4-5-2-1-3-7-5/h1-2,5-6H,3-4H2/t5-/m0/s1",66.69941999999999,-29.43517,
6721,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[O:4][C:5]([H:12])([H:15])[C:6]([H:13])([H:14])[C:7]1)([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c6-4-5-2-1-3-7-5/h5-6H,1,3-4H2/t5-/m0/s1",63.416740000000004,35.62189,
6722,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[C:2](=[C:3]1[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10].[O:1]([H:8])[H:11],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O.H2O/c1-3-4-2-5(4)6-3;/h4-5H,1-2H2;1H2/t4-,5-;/m0./s1",73.90841,6.82907,"1,3_Insertion_ROR"
6723,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[O:4][C:5]([H:12])([H:14])[C@:7]1([C:6][H:13])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-3-7-5(4)2-6/h1,4-6H,2-3H2/t4-,5-/m1/s1",66.34898000000001,66.33497,
6724,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]([C:4]([O:5][H:11])([H:14])[H:15])([H:12])[H:13])=[C:6](/[C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-6(2)4-5-7/h3,7H,4-5H2,1-2H3/b6-3-",83.13638,6.5442800000000005,
6725,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10].[C:4]([H:14])[H:15],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C5H10O.CH2/c1-4-3-6-5(4)2;/h4-5H,3H2,1-2H3;1H2/t4-,5-;/m0./s1",132.95583,128.05293,
6726,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([H:16])[O:5][C:4]([H:14])([H:15])[C:3]1([H:12])[H:13])([C:7]([H:17])([H:18])[H:19])([H:9])[H:10].[H:8][H:11],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H10O.H2/c1-2-6-3-4-7-5-6;/h5H,2-4H2,1H3;1H",154.90212,27.28097,
6727,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[O+:5][C-:6]([C:7]([H:17])([H:18])[H:19])[H:16])[H:15])([H:12])[H:13])([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4,6H,3,5H2,1-2H3",118.44209,67.98047,
6728,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4]([H:13])([H:14])[H:15])[H:12])[H:11])([H:8])([H:9])[H:10].[O:5]=[C:6]([C:7]([H:17])([H:18])[H:19])[H:16],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3/h3-4H,1-2H3;2H,1H3/b4-3+;",87.25583,15.50665,
6729,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C:6]1([H:16])[H:18])([H:8])([H:9])[H:10].[C:7]([H:17])[H:19],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C5H10O.CH2/c1-5-2-3-6-4-5;/h5H,2-4H2,1H3;1H2/t5-;/m0./s1",108.80993000000001,114.39658,"1,2_Insertion_carbene"
6730,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]([H:14])[H:15])[H:12])([H:11])[H:13])([H:8])([H:9])[H:10].[O:5]=[C:6]([C:7]([H:17])([H:18])[H:19])[H:16],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3/h3H,1,4H2,2H3;2H,1H3",96.63503,18.52625,
6731,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:6]1([O:5][C:4]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-5-4-6(5,2)7-3/h5H,4H2,1-3H3/t5-,6-/m0/s1",131.12107,25.602829999999997,
6732,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([O+:5]=[C-:6][H:16])([H:14])[H:15])([H:12])[H:13])([C:7]([H:17])([H:18])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-6(2)4-5-7-3/h3,6H,4-5H2,1-2H3",137.31663,67.47988000000001,
6733,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:16])([C:6](=[O+:5][C-:4]([H:14])[H:15])[C:7]([H:17])([H:18])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-5(2)6(3)7-4/h5H,4H2,1-3H3",120.99982,69.51035,
6734,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:6]([O:5][C:4]([C:3]([H:8])([H:12])[H:13])([H:14])[H:15])([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-4-6(3)7-5-2/h4,6H,1,5H2,2-3H3/t6-/m0/s1",109.41845,19.56912,
6735,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@@:2]2([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@@:6]12[C:7]([H:17])([H:18])[H:19].[H:8][H:16],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H10O.H2/c1-6-4-5(6)2-3-7-6;/h5H,2-4H2,1H3;1H/t5-,6+;/m1./s1",110.63025,35.9648,
6736,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([O+:5]=[C-:6][C:7]([H:17])([H:18])[H:19])([H:14])[H:15])([H:12])[H:13])([H:11])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-5-6-7-4-2/h3,5-6H2,1-2H3",85.53569,62.59195,
6737,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C-:4]([H:14])[O+:5]=[C:6]1[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H10O.H2/c1-5-3-4-7-6(5)2;/h4-5H,3H2,1-2H3;1H/t5-;/m0./s1",82.93526999999999,77.60423,
6738,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[C:4]([H:14])[H:15])[H:13])([C@@:6]([O:5][H:12])([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-4-5(2)6(3)7/h4-7H,1H2,2-3H3/t5-,6-/m0/s1",83.89166999999999,9.09924,
6739,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([H:16])[O:5][C:4]([H:14])([H:15])[C@@:3]1([C:7]([H:17])([H:18])[H:19])[H:12])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H10O.H2/c1-5-3-7-4-6(5)2;/h3,6H,4H2,1-2H3;1H/t6-;/m0./s1",161.92436999999998,25.422520000000002,
6740,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4]([O:5][C:7]([H:17])([H:18])[H:19])([H:14])[H:15])([H:12])[H:13])([C:6][H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-6(2)4-5-7-3/h1,6H,4-5H2,2-3H3/t6-/m0/s1",124.56200000000001,93.41155,
6741,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([O:5][C:6]([C:7]([H:17])([H:18])[H:19])([H:14])[H:16])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1",128.6562,22.2082,
6742,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:6]([O+:5]=[C-:4][H:15])([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-5(2)6(3)7-4/h4-6H,1-3H3/t6-/m0/s1",84.84795,58.837219999999995,
6743,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C:7]([H:17])([H:19])[C:6]1([H:16])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-6-2-4-7-5-3-6/h6H,2-5H2,1H3",100.67153,5.2003,
6744,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:6](=[O:5])[C:7]([H:17])([H:18])[H:19])([H:11])[H:16])([H:8])([H:9])[H:10].[C:3](=[C:4]([H:14])[H:15])([H:12])[H:13],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C4H8O.C2H4/c1-3-4(2)5;1-2/h3H2,1-2H3;1-2H2",86.51985,14.89069,
6745,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:3](=[O:4])[N+:5]([C-:6]([H:9])[H:10])=[C:7]([H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c1-5(2)4(7)3-6/h3H,1-2H2",54.3872,38.633990000000004,
6746,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:6]([C:7]([N:5]=[C:3]=[O:4])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-1-2-5-4-7/h3H,1-2H2",70.8276,-32.42415,
6747,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:3](=[O:4])[N+:5]1([H:12])[C:6]([H:9])([H:10])[C-:7]1[H:11])[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h1,3,5H,2H2",70.01098,58.98095,
6748,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[o+:1]1[c:2]([H:8])[c:3]([O-:4])[n:5]([C:6]([H:9])([H:10])[H:11])[c:7]1[H:12],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c1-5-3-7-2-4(5)6/h2-3H,1H3",71.85396,-6.9377699999999995,
6749,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[C-:3]#[O+:4].[N:5]1([H:8])[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12].[O+:1]#[C-:2],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C2H5N.2CO/c1-2-3-1;2*1-2/h3H,1-2H2;;",65.07519,3.24378,
6750,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]([C+:2]=[C:3]([O-:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h1-2H2,(H-,6,7)",83.67023,51.10949,
6751,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]=[C:2](/[C:3]([O:4][H:9])=[N:5]/[C:6](=[C:7]([H:11])[H:12])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c1-2-5-4(7)3-6/h2-3H,1H2,(H,5,7)",60.126909999999995,-6.75125,
6752,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]1[C:2]([H:8])=[C:3]([O-:4])[N+:5](=[C:6]([H:9])[H:10])[C:7]1([H:11])[H:12],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c1-5-3-7-2-4(5)6/h2H,1,3H2",53.42246,23.16335,
6753,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C@@:3]12[O:4][N:5]1[C:6]([H:9])([H:10])[C:7]2([H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-4-1-2-5(4)7-4/h3H,1-2H2/t4-,5?/m1/s1",92.55566,46.84998,
6754,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]([C:2](=[C:3]=[O:4])[H:8])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-4-7-5-1-2-5/h4H,1-2H2",101.99794,64.34992,ketoenol
6755,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:3](=[O:4])[C:7]([N:5]=[C:6]([H:9])[H:10])([H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c1-5-2-4(7)3-6/h3H,1-2H2",53.46539,-0.4034,
6756,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O-:1][C:2](=[C:3]([O:4][H:9])[N+:5]1=[C:6]([H:10])[C:7]1([H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h1,3H,2H2,(H-,6,7)",65.02135,52.250679999999996,
6757,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:3]1=[N:5][C:6]([H:9])([H:10])[C:7]([H:11])([H:12])[O:4]1)[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-4-5-1-2-7-4/h3H,1-2H2",48.971070000000005,-12.757489999999999,ketoenol
6758,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]([C@@:2]1([H:8])[C@@:3]2([O:4]1)[N:5]1[C@@:6]2([H:9])[C:7]1([H:11])[H:12])[H:10],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-4(7-3)2-1-5(2)4/h2-3,6H,1H2/t2-,3+,4+,5?/m0/s1",74.99396,49.49709,
6759,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[H:8][H:11].[O:1]=[C:2]=[C:3]([O-:4])[N+:5]1=[C:7]([H:12])[C:6]1([H:9])[H:10],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H3NO2.H2/c6-3-4(7)5-1-2-5;/h1H,2H2;1H",108.01546,100.99538000000001,
6760,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[O:4])[H:11])[H:16])([H:8])([H:9])[H:10].[C:5]1([H:12])([H:13])[C:6]([H:14])([H:15])[O:7]1,"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C2H5NO.C2H4O/c1-3-2-4;1-2-3-1/h2H,1H3,(H,3,4);1-2H2",61.01325,16.77072,
6761,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10].[N:2]#[C:3][H:11],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C3H8O2.CHN/c1-5-3-2-4;1-2/h4H,2-3H2,1H3;1H",98.42466999999999,16.80215,
6762,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3](=[O+:4][C-:5]([C:6]([O:7][H:16])([H:14])[H:15])[H:13])[H:11])([H:9])[H:10].[H:8][H:12],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H7NO2.H2/c1-5-4-7-3-2-6;/h3-4,6H,1-2H2;1H",108.33616,92.22916,
6763,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3]([O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:8])[H:11])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h6H,1-4H2",85.51828,17.66858,
6764,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[O:4])[H:11])[H:16])([H:8])([H:9])[H:10].[C:5]([C:6](=[O:7])[H:14])([H:12])([H:13])[H:15],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C2H5NO.C2H4O/c1-3-2-4;1-2-3/h2H,1H3,(H,3,4);2H,1H3",42.3242,-9.782689999999999,
6765,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[O+:4][C-:5]([H:12])[H:13])[H:11])[C:6]([O:7][H:16])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H9NO2/c1-5(3-6)4-7-2/h4,6H,2-3H2,1H3",97.80836,72.14956,
6766,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[H:12][H:16],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H7NO2.H2/c1-5-4-7-3-2-6;/h2,4H,3H2,1H3;1H/b5-4+;",92.87196999999999,21.93937,
6767,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C-:3]=[O+:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h5-6H,2-3H2,1H3",81.5986,42.379670000000004,
6768,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3](=[O:4])[H:11])([H:8])[H:9].[C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:10])([H:12])[H:13],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C2H3NO.C2H6O/c1-3-2-4;1-2-3/h2H,1H2;3H,2H2,1H3",72.86735,12.41442,
6769,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C@@:3]1([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([O:7][H:15])[H:14])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H9NO2/c1-5-4-3(6)2-7-4/h3-6H,2H2,1H3/t3-,4+/m1/s1",102.16288,17.68972,
6770,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C:6]([O:7][H:16])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10].[O:4]=[C:5]([H:12])[H:13],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C3H7NO.CH2O/c1-4-2-3-5;1-2/h2,5H,3H2,1H3;1H2/b4-2+;",110.79005,20.240470000000002,
6771,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H9NO2/c1-5(4-7)2-3-6/h4,6H,2-3H2,1H3",54.73529,-13.452570000000001,ketoenol
6772,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([O:4][C:5]([C:6](=[O:7])[H:15])([H:12])[H:13])([H:11])[H:14])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h2,5H,3-4H2,1H3",48.95962,9.72831,
6773,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1([H:11])[O:4][C:5]([H:12])([H:13])[C:6]([H:14])([H:15])[O:7]1)[H:16])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H9NO2/c1-5-4-6-2-3-7-4/h4-5H,2-3H2,1H3",43.340340000000005,2.04308,
6774,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]#[C-:3])([H:8])([H:9])[H:10].[O:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C2H3N.C2H6O2/c1-3-2;3-1-2-4/h1H3;3-4H,1-2H2",67.75988000000001,23.92694,
6775,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2](/[C:3](=[N:5]\[C:4]([C:6](=[O:7])[H:12])([H:10])[H:11])[H:9])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-3-1-5-2-4-7/h1,3-4H,2H2/b5-1-",76.57563,3.92648,
6776,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]1[C@@:2]2([H:8])[C@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]2,"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-3-4(7-3)6-2-5-1/h2-4H,1H2/t3-,4-/m0/s1",53.92952,0.01008,
6777,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1](/[C:2](=[C:3](\[N:5]=[C:4]([H:10])[H:11])[H:9])[H:8])[C:6](=[O:7])[H:12],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-5-2-3-7-4-6/h2-4H,1H2/b3-2-",59.13275,-1.951,
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6779,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[C-:3]1([H:9])[C:4]([H:10])([H:11])[N+:5]1([C:6](=[O:7])[H:12])[H:8].[O+:1]#[C-:2],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C3H5NO.CO/c5-3-4-1-2-4;1-2/h1,3-4H,2H2;",64.86171999999999,57.93326999999999,
6780,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]([C:3]([N:5]=[C:4]([H:10])[H:11])([C:6](=[O:7])[H:12])[H:9])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-5-4(2-6)3-7/h2-4H,1H2",80.87229,2.17205,
6781,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]1[C@:2]2([H:8])[C@@:3]3([H:9])[C:4]([H:10])([H:11])[N:5]3[C@:6]2([H:12])[O:7]1,"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-2-3-4(5(1)2)7-6-3/h2-4H,1H2/t2-,3-,4-,5?/m1/s1",134.38857,96.87364000000001,
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6783,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]1[C@:2]2([H:8])[C@@:3]3([H:9])[C:4]([H:10])([H:11])[C@:6]([H:12])([N:5]13)[O:7]2,"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-2-4-6-3(1)5(2)7-4/h2-4H,1H2/t2-,3-,4-/m1/s1",105.52391999999999,61.87138,
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6785,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2",64.3222,-33.87148,
6786,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]1[C@@:2]2([H:8])[C@@:3]([H:9])([C:4]1([H:10])[H:11])[N:5]=[C:6]([H:12])[O:7]2,"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-3-4(6-1)7-2-5-3/h2-4H,1H2/t3-,4-/m1/s1",59.7526,-2.95421,
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6788,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1",45.88207,-14.391520000000002,ketoenol
6789,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[C@:3]12([H:9])[C:4]([H:10])([H:11])[N:5]1[C@:6]2([O:7][H:8])[H:12].[O+:1]#[C-:2],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C3H5NO.CO/c5-3-2-1-4(2)3;1-2/h2-3,5H,1H2;/t2-,3+,4?;/m1./s1",66.68454,28.6515,
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6795,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]1[C@:2]2([H:8])[C@@:3]1([H:9])[N+:5]([C-:4]([H:10])[H:11])=[C:6]([H:12])[O:7]2,"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-5-2-6-4-3(5)7-4/h2-4H,1H2/t3-,4+/m0/s1",90.97095,58.47299,
6796,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]1[C@@:2]2([H:8])[C@@:3]3([H:9])[C:4]([H:10])([H:11])[N:5]3[C@:6]1([H:12])[O:7]2,"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-2-3-6-4(7-3)5(1)2/h2-4H,1H2/t2-,3-,4+,5?/m1/s1",67.42736,42.9343,
6797,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]1[C:2]([H:8])=[C:3]([H:9])[C:4]([H:10])([H:11])[N:5]2[C@@:6]1([H:12])[O:7]2,"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-2-5-4(7-5)6-3-1/h1,3-4H,2H2/t4-,5?/m1/s1",71.84182,38.5781,
6798,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1](/[C:2](=[C:3]1\[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8])[H:9],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-3,6H,1H2/b4-2+",71.38362,18.30947,ketoenol
6799,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]1[C:2]([H:8])=[C:3]([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-4-5-2-1-3-7-5/h1,3-4H,2H2",66.76138,18.7922,ketoenol
6800,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[C:6](=[O:7])([H:9])[H:12].[O:1]=[C:2]([C:3]1=[N:5][C:4]1([H:10])[H:11])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C3H3NO.CH2O/c5-2-3-1-4-3;1-2/h2H,1H2;1H2",84.37889,46.00799,
6801,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[C-:4]([H:10])[N+:5]1=[C:6]([O:7][H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h1-4,7H/t4-/m1/s1",62.694959999999995,57.149519999999995,
6802,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O-:1][C:2](=[C:3]([N+:5](=[C:4]([H:10])[H:11])[C:6](=[O:7])[H:12])[H:9])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-5(4-7)2-3-6/h2-4H,1H2",36.67941,22.94425,
6803,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]([O:7][C:6](=[N+:5]1[C-:3]([H:9])[C:4]1([H:10])[H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-4-7-3-5-1-2-5/h1,3-4H,2H2",72.37352,55.9305,
6804,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[C-:4]([H:11])[N+:5]1([C:6](=[O:7])[H:12])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1",InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h1-5H/t4-/m1/s1,71.07538000000001,56.73689,
6805,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O+:1](=[C-:2][H:8])[C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-7-4-2-5(4)3-6/h1,3-4H,2H2/t4-,5?/m0/s1",110.11612,66.92808000000001,
6806,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[C@:4]([C:5]([H:16])([H:17])[H:18])([H:15])[C:6][N:7]1[H:8],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H11N/c1-6-3-2-4-7-5-6/h6-7H,2-4H2,1H3/t6-/m1/s1",104.77153,45.21427,
6807,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])(/[C:6](=[N:7]/[H:8])[H:11])[H:15])([H:13])[H:14])[H:12])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H11N/c1-3-4-6(2)5-7/h3,5-7H,1,4H2,2H3/b7-5+/t6-/m1/s1",94.03304,22.87261,
6808,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([N+:7]#[C-:6])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H11N/c1-4-5-6(2)7-3/h6H,4-5H2,1-2H3/t6-/m1/s1",58.66805,21.04895,
6809,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[C@:4]([C:5]([H:16])([H:17])[H:18])([H:15])/[C:6]1=[N:7]/[H:9],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H11N/c1-5-3-2-4-6(5)7/h5,7H,2-4H2,1H3/b7-6+/t5-/m1/s1",92.32724,1.58566,
6810,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:18])/[C:6]1=[N:7]\[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H11N/c1-2-3-5-4-6(5)7/h5,7H,2-4H2,1H3/b7-6+/t5-/m0/s1",107.46566000000001,36.95555,
6811,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:12])[C:3]([H:13])([H:14])[C@@:4]([C:5]([H:16])([H:17])[H:18])([H:15])/[C:6]1=[N:7]\[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H11N/c1-4-3-5(2)6(4)7/h4-5,7H,3H2,1-2H3/b7-6-/t4-,5+/m1/s1",99.23147,18.20421,
6812,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[C:4]([C:5]([H:16])([H:17])[H:18])(=[C:6]=[N:7][H:12])[H:15],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C3H5N.C3H6/c1-2-3-4;1-3-2/h2,4H,1H3;3H,1H2,2H3",68.80563000000001,45.46312,Retroene
6813,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])=[C:6]=[N:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H11N/c1-3-4-6(2)5-7/h7H,3-4H2,1-2H3",93.04454,24.03472,
6814,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:3]([H:13])([H:14])[C@:4]([C:5]([H:16])([H:17])[H:18])([H:15])[C:6][N:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H11N/c1-5-3-6(2)7-4-5/h5-7H,3H2,1-2H3/t5-,6-/m1/s1",94.66188000000001,40.97269,
6815,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])[H:11])([H:9])[H:10].[H:8][H:12],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H9N.H2/c1-3-4-6(2)5-7;/h3,6H,1,4H2,2H3;1H/t6-;/m1./s1",114.29878000000001,31.191359999999996,
6816,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@:3]1([H:13])[C@:4]([C:5]([H:16])([H:17])[H:18])([H:15])/[C:6]1=[N:7]/[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H11N/c1-3-5-4(2)6(5)7/h4-5,7H,3H2,1-2H3/b7-6-/t4-,5-/m1/s1",107.72448999999999,35.723420000000004,
6817,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[C:5]=[N:6][O:7][H:16])[H:14])([H:12])[H:13])([H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-2-3-4-5-6-7/h4,7H,2-3H2,1H3",86.6001,13.4413,
6818,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C+:5]1[N:6]([O-:7])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,6H,2-3H2,1H3/t4-/m0/s1",53.71735,16.7641,
6819,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1(/[C:5](=[N:6]\[O:7][H:16])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-2-5(4)3-6-7/h3-5,7H,2H2,1H3/b6-3-/t4-,5-/m0/s1",86.17249,4.53637,
6820,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])/[C:5](=[N:6]/[O:7][H:16])[C:4]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-2-5(3-4)6-7/h4,7H,2-3H2,1H3/b6-5-",74.45433,-0.0134,
6821,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@@:2]2([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C@@:5]12[N:6]=[O:7].[H:9][H:16],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H7NO.H2/c7-6-5-2-1-4(5)3-5;/h4H,1-3H2;1H/t4-,5-;/m1./s1",106.8093,48.26571,
6822,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:5]([C:4]([C:3][H:13])([H:14])[H:15])=[N:6]/[O:7][H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-3-5(4-2)6-7/h1,7H,3-4H2,2H3/b6-5+",82.84349,75.36628,
6823,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C4H5NO.CH4/c6-5-4-2-1-3-4;/h6H,1-2H2;1H4/b5-4+;",91.90945,88.57536,
6824,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C@@:5]1([N:6]=[O:7])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4-5H,2-3H2,1H3/t4-,5-/m0/s1",75.44885,14.04848,ketoenol
6825,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([N:6]=[O:7])[C:4]([H:14])([H:15])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10].[H:11][H:16],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H7NO.H2/c1-4-2-3-5(4)6-7;/h2-3H2,1H3;1H",101.79472,40.2949,
6826,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([C:5]#[N:6])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1",87.6463,-41.5536,
6827,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([N:6]([O:7][H:16])[H:11])[C:4]([H:14])([H:15])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h6-7H,2-3H2,1H3",85.61804000000001,14.879029999999998,
6828,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([N:6]([C:5]1=[C:2]([H:11])[C:3]([H:12])([H:13])[C:4]1([H:14])[H:15])[O:7][H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-6(7)5-3-2-4-5/h3,7H,2,4H2,1H3",107.8086,21.56908,
6829,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1](/[C:5]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]1([H:14])[H:15])=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-4(6-7)5-2-3-5/h5,7H,2-3H2,1H3/b6-4+",97.14869,0.6671199999999999,
6830,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4]([H:14])([H:15])[H:16])([H:12])[H:13])([C:5]#[N+:6][O-:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-3-5(2)4-6-7/h5H,3H2,1-2H3/t5-/m0/s1",63.43031,3.44248,
6831,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:15])=[C:5]1[N:6]([O:7][H:16])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h3-4,6-7H,2H2,1H3/t4-/m0/s1",84.79146,16.446,
6832,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C@@:5]1([N:6])[O:7][H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-2-3-5(4,6)7/h4,7H,2-3H2,1H3/t4-,5+/m0/s1",68.48354,60.613780000000006,
6833,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]2([H:12])[C:4]([H:14])([H:15])[C@:5]12[N:6]=[O:7])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H7NO.H2/c1-3-4-2-5(3,4)6-7;/h3-4H,2H2,1H3;1H/t3-,4-,5-;/m0./s1",107.81549,59.186519999999994,
6834,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:15])(/[C:5]([C:4][H:14])=[N:6]/[O:7][H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-4(2)5(3)6-7/h3-4,7H,1-2H3/b6-5+",77.2405,76.0851,
6835,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[N:4]([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h2H,1,5H2,(H,6,7)",56.37089,-8.9601,ketoenol
6836,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C:3][N:4]([H:11])[C:5]([O:6][H:12])=[C:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1,3,6-7H,5H2/t3-/m1/s1",56.364090000000004,54.264230000000005,Singlet_Carbene_Intra_Disproportionation
6837,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[N+:4]([H:11])([H:12])[C:5]([O-:6])=[C:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2",55.915409999999994,20.99856,
6838,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2](/[C:3](=[N:4]/[H:11])[H:10])=[C:7]=[C:5]([O:6][H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-4(6)1-2-7/h2-3,5,7H,6H2/b5-3+",68.33493,45.84449,
6839,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:13])[C@:5]([O:6][H:12])([H:11])[N:4]=[C:3]1[H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,4,7H,5H2/t4-/m1/s1",44.332809999999995,13.59171,
6840,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1](=[C:2]1/[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]([O:6][H:12])=[C:7]1[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1,5-7H,2H2/b5-3+",66.81668,3.28051,
6841,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:13])[C:5]([O:6][H:12])=[N:4][C:3]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1H,2,5H2,(H,6,7)",41.16247,-0.8632200000000001,
6842,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N+:1]1([H:8])([H:9])[C:2]([C:7](=[C:5]([N-:4][H:11])[O:6][H:12])[H:13])=[C:3]1[H:10],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H5N2O/c5-4(7)1-3-2-6-3/h1-2,5-7H/q-1/p+1",84.79319,79.20893000000001,
6843,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:13])[C:5](=[O:6])[N:4]([H:11])[C:3]1([H:10])[H:12])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1H,2,5H2,(H,6,7)",90.79189000000001,-16.10003,
6844,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[N:4]([H:11])[C:5][C@@:7]1([O:6][H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-6-2-4(3)7/h1,4,6-7H,5H2/t4-/m0/s1",91.49655,52.56715,
6845,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C+:2]1[C@@:3]([O:6][H:12])([H:10])[N:4]([H:11])[C-:5]=[C:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1,4,6-7H,5H2/t4-/m0/s1",123.36944,43.24279,
6846,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N+:1]1([H:8])([H:9])[C:2]([C-:3]([N+:4](=[C-:5][O:6][H:12])[H:11])[H:10])=[C:7]1[H:13],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H5N2O/c7-3-5-1-4-2-6-4/h1-2,5-7H/q-1/p+1",119.7422,118.24966,
6847,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N-:1]([C:2]1=[C:3]([H:10])[N:4]([H:11])[C+:5]([O:6][H:12])[C:7]1([H:8])[H:13])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h2,5-7H,1H2",83.40771,44.4007,
6848,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C@:2]1([H:13])[C+:3]([H:10])[N:4]([H:11])[C:5]([O:6][H:12])=[C-:7]1)([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h2-3,6-7H,5H2/t3-/m0/s1",77.93446999999999,78.09329,
6849,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:7]=[C:5]([O:6][H:12])[N:4]([H:11])[C:3]1([H:10])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h6-7H,2,5H2",79.91226,35.81811,
6850,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C-:7][C@:5]([O:6][H:12])([H:13])[N:4]([H:11])[C+:3]1[H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h2,4,6-7H,5H2/t4-/m1/s1",68.32595,65.11997,Singlet_Carbene_Intra_Disproportionation
6851,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:11])[C:4]([N:5]([H:12])[H:13])=[C:6]1[H:14])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-3(7)4-2-5(4)6/h2,4H,6H2,1H3/t4-/m0/s1",77.62523,37.49585,ketoenol
6852,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([N:5]([H:12])[H:13])[C:6](=[O:7])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-2-3-5(6)4-7/h2,4H,6H2,1H3",66.88961,31.13382,
6853,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([C:4]1=[C:6]([H:14])[N+:5]1([H:12])[H:13])[H:11])[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4(7)2-5-3-6-5/h2-3,6-7H,1H3",76.64885,71.60808,
6854,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]=[C:4]([N:5]([H:12])[H:13])[C:6]([H:11])([H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h3,6H2,1H3",88.77991999999999,45.556940000000004,
6855,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[C-:2]=[O+:7][C:6]([H:14])=[C:4]1[N:5]([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h3-4H,6H2,1H3/t4-/m0/s1",84.2633,59.426809999999996,
6856,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]\[H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2,6H,3H2,1H3/b6-5+",70.66924,3.53576,
6857,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([N:5]([H:12])[H:13])[C:6]([H:8])([H:14])[O:7]1)([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2H,1,3,6H2",85.47145,10.18695,Intra_ene_reaction
6858,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]=[O:7])[H:11])([H:8])([H:9])[H:10].[C:4]([N:5]([H:12])[H:13])#[C:6][H:14],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C3H4O.C2H3N/c1-2-3-4;1-2-3/h2H,1H3;1H,3H2",116.52973999999999,55.13289,
6859,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C@@:4]([N:5]([H:12])[H:13])([H:14])[C-:6]=[O+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2,5H,6H2,1H3/t5-/m0/s1",62.886140000000005,61.93715,Singlet_Carbene_Intra_Disproportionation
6860,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([N+:5]([H:8])([H:12])[H:13])[C-:6]([H:14])[O:7]1)([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H6NO/c1-4-2-5(6)3-7-4/h2-3H,1,6H2/q-1/p+1",147.67681000000002,83.80944000000001,
6861,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:8])([H:11])[C:4]([N:5]([H:12])[H:13])=[C:6]([H:14])[O:7]1)([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h3H,1-2,6H2",90.14537,17.57295,
6862,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N+:2](=[C:3]([H:11])[H:12])[C:4](=[C:5]([O-:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-5(7)4-6(2)3/h4H,2H2,1,3H3",40.82748,17.44722,
6863,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C@:4]1([H:13])[C@:5]([C:7]([H:14])([H:15])[H:16])([H:12])[O:6]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-4-5(7-4)3-6-2/h3-5H,1-2H3/b6-3+/t4-,5-/m1/s1",93.58317,7.20604,
6864,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])[C:4]1([H:13])[H:15])([H:8])([H:9])[H:10].[C:5](=[O:6])=[C:7]([H:14])[H:16],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C3H7N.C2H2O/c1-4-2-3-4;1-2-3/h2-3H2,1H3;1H2",88.2366,26.4244,
6865,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:15])=[C:7]([H:14])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5,7H,1,3H2,2H3/t5-,6?/m0/s1",66.2103,12.149230000000001,ketoenol
6866,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N-:2][O+:6]=[C:5]([C:4](=[C:3]([H:11])[H:12])[H:13])[C:7]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-4-5(2)7-6-3/h4H,1H2,2-3H3",110.52888,68.40325,
6867,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1](=[N+:2]1[C:3]([H:11])([H:12])[C:4]1=[C:5]([O-:6])[C:7]([H:14])([H:15])[H:16])([H:9])[H:10].[H:8][H:13],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H7NO.H2/c1-4(7)5-3-6(5)2;/h2-3H2,1H3;1H",81.27948,61.57883,
6868,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N-:2][C:4](=[C:5]([O+:6]=[C:3]([H:11])[H:12])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-5(7-3)4-6-2/h4H,3H2,1-2H3",77.10937,54.08565,
6869,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:9])[H:10].[H:8][H:11],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H7NO.H2/c1-4(7)5-3-6(5)2;/h3,5H,2H2,1H3;1H/t5-;/m0./s1",85.92398,71.96337,
6870,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C:3](/[N:2]=[C:4](\[C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-3-6-4-5(2)7/h4H,3H2,1-2H3/b6-4-",90.88682,-9.16497,
6871,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([C:7]([H:14])([H:15])[H:16])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-5-3-4-6(2)7-5/h3H,4H2,1-2H3",70.01303,23.88279,ketoenol
6872,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1]([N+:2]1([C:7]([H:14])([H:15])[H:16])[C:3]([H:11])([H:12])[C-:4]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C4H9N.CO/c1-5(2)3-4-5;1-2/h3H,4H2,1-2H3;",102.20326,63.46785,
6873,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])/[C:4]1=[C:5](\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h7H,3H2,1-2H3/b5-4+",66.80773,20.93114,ketoenol
6874,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:4]([N:2]=[C:3]([H:11])[H:12])([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-4(6-3)5(2)7/h4H,3H2,1-2H3/t4-/m1/s1",90.97001,-14.236820000000002,
6875,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N+:2]1=[C:3]([H:12])[C@:4]1([C-:5]([O:6][H:11])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h3,5,7H,1-2H3/t5-/m0/s1",100.02674,72.76873,
6876,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:7]([C:5](=[O:6])[H:15])([H:14])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-6-4-5(6)2-3-7/h3,5H,2,4H2,1H3/t5-,6?/m1/s1",96.89808000000001,8.42644,
6877,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:12])[C-:3]([H:11])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h3,5-6H,1-2H3/t5-/m0/s1",66.68918000000001,52.374959999999994,
6878,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]1([O:5][H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C4H8O.CO/c1-4(5)2-3-4;1-2/h5H,2-3H2,1H3;",68.77,9.01801,"1,2_Insertion_CO"
6879,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1([O+:5]=[C-:6][O:7][H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h6H,2-3H2,1H3",76.9687,43.86394,
6880,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]=[O:5])([H:8])[H:10].[C:3](=[C:4]([H:13])[H:14])([H:11])[H:12].[C:6](=[O:7])([H:9])[H:15],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3",InChI=1S/C2H2O.C2H4.CH2O/c1-2-3;2*1-2/h1H2;1-2H2;1H2,98.49998000000001,44.30298,
6881,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:4]([H:13])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10].[O:5]=[C:6]([O:7][H:14])[H:15],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C4H6.CH2O2/c1-4-2-3-4;2-1-3/h2H,3H2,1H3;1H,(H,2,3)",56.26606999999999,35.41774,Retroene
6882,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:7][C:6](=[O:5])[H:15])([H:11])[H:12])=[C:4]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-5(2)3-7-4-6/h4H,1,3H2,2H3",59.99005,-4.54433,
6883,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]2([C:3]([H:11])([H:12])[C:4]2([H:13])[H:14])[O:5][C@:6]1([O:7][H:9])[H:15],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c6-4-3-5(7-4)1-2-5/h4,6H,1-3H2/t4-/m1/s1",96.79685,24.79374,
6884,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])[H:10].[O:5]=[C:6]([O:7][H:9])[H:15],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C4H6.CH2O2/c1-4-2-3-4;2-1-3/h1-3H2;1H,(H,2,3)",52.0185,23.79702,Retroene
6885,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1([O:5][C:6]([O:7][H:12])([H:14])[H:15])[C:3]([H:11])=[C:4]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h2-3,6H,4H2,1H3",87.75218000000001,48.66353,
6886,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[O:5][C:6](=[O:7])[H:15])([H:8])([H:9])[H:10].[C:4]([H:13])[H:14],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C4H6O2.CH2/c1-4(2)6-3-5;/h3H,1H2,2H3;1H2",102.2945,105.95159,1+2_Cycloaddition
6887,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2][C:4]([C:3]([O:5][C:6](=[O:7])[H:15])([H:11])[H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-2-3-4-7-5-6/h5H,3-4H2,1H3",118.78177,67.64446,
6888,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:17])[C:6]([H:15])([H:16])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h6H,2-3,5H2,1H3/t6-/m1/s1",68.82715,63.84319,
6889,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O+:3]=[C-:4][H:13])([C:7]1([H:17])[C:5]([H:12])([H:14])[C:6]1([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-5(7-2)6-3-4-6/h2,5-6H,3-4H2,1H3/t5-/m1/s1",88.06700000000001,63.169180000000004,
6890,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5][C@:7]1([C:6]([H:14])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-5-3-4-7-6(5)2/h5-6H,4H2,1-2H3/t5-,6-/m1/s1",63.90495,61.29156,
6891,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([C:7](=[C:6]([H:15])[H:16])[H:17])[H:14])([H:12])[H:13],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C4H6.C2H4O/c1-3-4-2;1-2-3/h3-4H,1-2H2;2H,1H3",88.41234,16.30527,
6892,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C-:2]1=[O+:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C5H6O.CH4/c1-4-2-6-3-5(1)4;/h4-5H,1-2H2;1H4/t4-,5+;/m1./s1",87.41166,55.73019,
6893,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:13])=[C:5]2[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-4-6-2-5(6)3-7-4;/h3-4,6H,2H2,1H3;1H/t4-,6+;/m1./s1",114.30851000000001,64.60746,
6894,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O+:3]=[C-:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-4-6-2-5(6)3-7-4;/h4-6H,2H2,1H3;1H/t4-,5-,6+;/m1./s1",83.05093000000001,64.81028,
6895,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C:4]([C:5]1([H:14])[C:6]([H:16])=[C:7]1[H:17])([H:12])[H:13])[H:11])([H:9])[H:10].[H:8][H:15],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-2-7-5-6-3-4-6;/h2-4,6H,1,5H2;1H",115.6698,74.46468,
6896,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-5-3-6(2)7-4-5/h5-6H,4H2,1-2H3/t5-,6+/m0/s1",63.82504,61.10175,
6897,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C-:2]=[O+:3][C:4]([C:5]1([H:14])[C:6]([H:15])([H:16])[C:7]1([H:11])[H:17])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-2-7-5-6-3-4-6/h6H,3-5H2,1H3",85.2557,57.653769999999994,
6898,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]2([H:13])[C@@:5]([H:14])([C:6]2([H:15])[H:16])[C:7]1([H:12])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-4-2-5-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1",112.45313,4.53011,
6899,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@@:2]2([H:11])[O:3][C:4]([H:12])([H:13])[C@:5]([C:6]([H:8])([H:15])[H:16])([H:14])[C@@:7]12[H:17],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-4-3-7-6-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-,6-/m1/s1",101.11362,7.88253,
6900,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:17])[C:6]([H:15])([H:16])[C:5]([H:14])=[C:4]([H:13])[O:3]1)([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-6-4-2-3-5-7-6;/h3-5H,2H2,1H3;1H",78.43621,12.6755,
6901,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5][C:6]([H:15])([H:16])[C:7]1([H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h6H,2,4-5H2,1H3/t6-/m1/s1",68.18432,61.91065,
6902,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:7]1([H:17])[C@:5]([C:4]([O:3][H:8])([H:12])[H:13])([H:14])[C:6]1([H:15])[H:16])[H:11])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-2-5-3-6(5)4-7/h2,5-7H,1,3-4H2/t5-,6-/m1/s1",67.39934000000001,14.446570000000001,
6903,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@:7]1([C:6]([C:5][H:14])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-3-6-4-7-5(6)2/h1,5-6H,3-4H2,2H3/t5-,6-/m1/s1",108.96451,96.07675,
6904,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]2[C@@:5]([H:14])([C:4]([H:12])([H:13])[O:3]1)[C:6]2([H:15])[H:16])([H:8])([H:9])[H:10].[H:11][H:17],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-4-6-2-5(6)3-7-4;/h5H,2-3H2,1H3;1H/t5-;/m1./s1",109.40385,61.81137,
6905,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4]([H:12])([H:13])[H:16])([C:7]1([H:17])[C:5]([H:14])=[C:6]1[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-5(7-2)6-3-4-6/h3-6H,1-2H3/t5-/m1/s1",114.03835,47.008790000000005,
6906,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:7]([C:2](=[O:3])[H:11])([C:6]([C:5](=[C:4]([H:12])[H:13])[H:14])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-3-4-6(2)5-7/h3,5-6H,1,4H2,2H3/t6-/m1/s1",75.7952,-3.35605,
6907,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][C:4]([H:11])([H:12])[H:13])=[C:7](/[C:5](=[C:6]([H:15])[H:16])[H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-4-5-6(2)7-3/h4-5H,1H2,2-3H3/b6-5-",132.78243,12.48758,
6908,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4](=[C:5]([H:12])[H:14])[H:13])([C:7](=[C:6]([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-4-6(3)7-5-2/h4-6H,1-2H2,3H3/t6-/m1/s1",96.03681,11.17044,
6909,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3]/[C:4](=[C:5](\[C:7](=[C:6]([H:15])[H:16])[H:17])[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-3-5-6-7-4-2/h3,5-6H,1,4H2,2H3/b6-5-",137.72942,14.169229999999999,
6910,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4]([C:5](=[C:6]([H:15])[H:16])[H:14])([H:12])[H:13])=[C:7]([H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-4-5-7-6(2)3/h4H,1-2,5H2,3H3",92.39844000000001,9.94605,
6911,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]([C:7][H:17])([H:14])[C:6]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-5-3-6(2)7-4-5/h1,5-6H,3-4H2,2H3/t5-,6-/m1/s1",122.70255,72.05756,
6912,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7](\[C:6]([C:5]([C:4](=[O:3])[H:12])([H:13])[H:14])([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3/b3-2-",72.58870999999999,-5.2914,
6913,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:6]([H:15])([H:16])[C@@:7]1([C:5][H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-5-3-4-7-6(5)2/h1,5-6H,3-4H2,2H3/t5-,6+/m0/s1",121.29015,72.01304,
6914,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N+:1]([C:2]1=[C:3]=[C:4]([N:5]([H:11])[H:12])[C-:6]([H:13])[N:7]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H6N3/c5-3-1-4(6)7-2-3/h2,7H,5-6H2/q-1/p+1",87.20692,82.96453000000001,
6915,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[C:4]([N:5]([H:11])[H:12])=[C-:6][N+:7]1([H:13])[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1H,5-7H2",84.8515,76.28027,
6916,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C:2]1=[C-:3][C@@:4]([N:5]([H:11])[H:12])([H:10])[C+:6]([H:13])[N:7]1[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h2-3,7H,5-6H2/t3-/m0/s1",79.1627,80.35193000000001,
6917,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C+:2]([C:3](=[C:4]1[N+:5]([H:11])([H:12])[C-:6]1[H:13])[H:10])[N-:7][H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-4(6)1-3-2-7-3/h1-2,5H,6-7H2",85.79160999999999,83.81529,
6918,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1](=[C:2]1\[C:3]([H:10])=[C:4]([N:5]([H:11])[H:12])[C:6]([H:9])([H:13])[N:7]1[H:14])\[H:8],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1H,2,5H2,(H2,6,7)",89.06742,-1.0653,
6919,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1](=[C:2]1\[C:3]([H:8])([H:10])[C:4]([N:5]([H:11])[H:12])=[C:6]([H:13])[N:7]1[H:14])\[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h2H,1,5H2,(H2,6,7)",70.38978,5.63799,
6920,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])/[C:4](=[N:5]\[H:12])[C:6]([H:11])([H:13])[N:7]1[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1,5,7H,2,6H2/b5-3+",66.41186,2.10418,
6921,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C:2]([C@:3]1([H:10])[C:4]([N:5]([H:11])[H:12])=[C:6]1[H:13])=[N:7][H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-2(3)4(6)7/h1-2H,5H2,(H3,6,7)/t2-/m0/s1",87.57155,44.01259,
6922,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([c:2]1[c:3]([H:10])[c:4]([N+:5]([H:11])([H:12])[H:13])[c-:6][n:7]1[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H6N3/c5-3-1-4(6)7-2-3/h1,7H,5-6H2/q-1/p+1",73.88088,67.0742,
6923,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C+:2]1[C:3]([H:10])([H:13])[C:4]([N:5]([H:11])[H:12])=[C-:6][N:7]1[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h7H,1,5-6H2",78.68049,58.67683,
6924,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N+:1]([c-:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:14],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2H,5H2,6H3",51.626490000000004,39.71998,
6925,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C@:2]12[C:3]([H:10])=[C:4]([N:5]([H:11])[H:12])[C@@:6]1([H:13])[N:7]2[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-2-1-4(6)3(2)7-4/h1,3,7H,5-6H2/t3-,4+/m1/s1",80.43108000000001,64.77431,Intra_2+2_cycloaddition_Cd
6926,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C:2]1=[C:3]=[C:4]([N:5]([H:11])[H:12])[C:6]([H:10])([H:13])[N:7]1[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h7H,2,5-6H2",83.03913,38.04722,
6927,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C@:2]12[C@:3]3([H:10])[C@@:4]1([N:5]([H:11])[H:12])[C@:6]3([H:13])[N:7]2[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-2(3)7-4(1,3)6/h1-2,7H,5-6H2/t1-,2+,3+,4-/m0/s1",126.58313000000001,87.27833000000001,
6928,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C:2][N:7]([C@@:6]1([H:13])[C:3]([H:10])=[C:4]1[N:5]([H:11])[H:12])[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-2-7-4-1-3(4)6/h1,4,7H,5-6H2/t4-/m0/s1",123.85375,76.32818,
6929,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C-:3]=[C:4]([N:5]([H:11])[H:12])[C+:6]([H:13])[N:7]1[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h2,4,7H,5-6H2/t4-/m1/s1",69.0196,66.50904,Singlet_Carbene_Intra_Disproportionation
6930,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N-:1]([C:2]1=[C:3]([H:10])[C@:4]([N:5]([H:11])[H:12])([H:9])[C:6]([H:13])=[N+:7]1[H:14])[H:8],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H6N3/c5-3-1-4(6)7-2-3/h1-3,6H,5H2/q-1/p+1/t3-/m1/s1",89.07517,49.617670000000004,
6931,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1](=[C:2]1[C:3]([H:10])=[C:4]([N:5]([H:11])[H:12])[C-:6]([H:13])[N+:7]1([H:8])[H:14])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,6H,5,7H2",68.42018,40.93829,
6932,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[C@@:4]([N:5]([H:11])[H:12])([H:13])[C:6][N:7]1[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1,3,7H,5-6H2/t3-/m0/s1",56.2449,54.29101,Singlet_Carbene_Intra_Disproportionation
6933,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C:2]1=[N:7][C:6]([H:13])([H:14])[C:4]([N:5]([H:11])[H:12])=[C:3]1[H:10])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1H,2,5H2,(H2,6,7)",38.98552,-3.7770599999999996,
6934,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C@@:2]1([H:14])[C:3]([H:10])=[C:4]([N:5]([H:11])[H:12])[C:6]([H:13])=[N:7]1)([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,4H,5-6H2/t4-/m1/s1",44.31823,12.7112,
6935,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C-:2]=[N+:7]([C-:6]([C:4]1=[C:3]([H:10])[N+:5]1([H:11])[H:12])[H:13])[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H6N3/c5-3-6-1-4-2-7-4/h1-2,6-7H,5H2/q-1/p+1",121.63181000000002,118.53889,
6936,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9].[O+:1]#[C-:2],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C4H7N.CO/c1-2-3-4-5;1-2/h1H,3-5H2;",83.68955,14.157520000000002,"1,2_Insertion_CO"
6937,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O+:1](=[C:2]([N:3]([C-:4]([H:10])[H:11])[H:9])[H:8])[C:5]([C:6]#[C:7][H:14])([H:12])[H:13],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-3-4-7-5-6-2/h1,5-6H,2,4H2",92.73968,75.3293,
6938,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1](/[C:2](=[N:3]\[H:9])[H:8])[C:7](=[C:6]1[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:14],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c6-4-7-3-5-1-2-5/h3-4,6H,1-2H2/b6-4-",101.04948,21.93319,
6939,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1](/[C:2](=[N:3]/[H:9])[H:8])[C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-3-4-7-5-6/h1,5-6H,3-4H2/b6-5+",74.81249,16.46084,ketoenol
6940,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[C:5](=[C:6]=[C:7]([H:9])[H:14])([H:12])[H:13].[O:1]=[C:2]([N:3]=[C:4]([H:10])[H:11])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C3H4.C2H3NO/c1-3-2;1-3-2-4/h1-2H2;2H,1H2",56.93951,31.27575,Retroene
6941,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]([C@@:2]1([H:8])[N:3]([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])=[C:6]=[C:7]1[H:14])[H:13],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h2-3,5-7H,4H2/t5-/m1/s1",64.85829,39.80686,
6942,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]=[C:2]([N:3]([C:4]([C:5](=[C:6]=[C:7]([H:12])[H:14])[H:13])([H:10])[H:11])[H:9])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h3,5H,1,4H2,(H,6,7)",80.59529,-0.38136,
6943,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[N:3](=[C:4](\[C:5]([C:6]#[C:7][H:14])([H:12])[H:13])[H:10])\[H:9].[O:1]=[C:2]([H:8])[H:11],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C4H5N.CH2O/c1-2-3-4-5;1-2/h1,4-5H,3H2;1H2/b5-4-;",86.7959,38.51345,
6944,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]1[C@@:2]([C:6]#[C:7][H:14])([H:8])[N:3]([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-5-6-3-4-7-5/h1,5-6H,3-4H2/t5-/m1/s1",122.64283,26.32377,
6945,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]=[C:2](/[C:7](=[C:6]1\[N:3]([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-4-2-5-1-3-6-5/h2,4,6H,1,3H2/b5-2-",78.65417,-5.45239,
6946,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[N:3](=[C:4]([H:10])[H:11])[H:9].[O:1]=[C:2]([C:7](=[C:6]=[C:5]([H:12])[H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C4H4O.CH3N/c1-2-3-4-5;1-2/h3-4H,1H2;2H,1H2",64.60762,33.51595,
6947,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[H:11][H:12].[O-:1][C+:2]([N:3]([C:4](=[C:5]([C:6]#[C:7][H:14])[H:13])[H:10])[H:9])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H5NO.H2/c1-2-3-4-6-5-7;/h1,3-6H;1H",103.49163,24.18603,
6948,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O+:1](=[C:2]([N:3]([C-:4]([H:10])[H:11])[H:9])[H:8])[C:7](=[C:6]=[C:5]([H:12])[H:13])[H:14],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-3-4-7-5-6-2/h4-6H,1-2H2",95.6158,73.52181999999999,
6949,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[H:8][H:9].[O:1]=[C:2]=[N:3][C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H5NO.H2/c1-2-3-4-6-5-7;/h1H,3-4H2;1H",80.78328,18.83693,
6950,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]([C:2][N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,6-7H,3-4H2",73.28499000000001,40.34942,
6951,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[C:4](=[C:5]([C:6]#[C:7][H:14])[H:12])([H:10])[H:11].[O:1](/[C:2](=[N:3]/[H:9])[H:8])[H:13],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C4H4.CH3NO/c1-3-4-2;2-1-3/h1,4H,2H2;1H,(H2,2,3)",57.789480000000005,27.4274,Retroene
6952,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1](/[C:2](=[N:3]/[C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:8])[H:9],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)",47.00837,13.13026,ketoenol
6953,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([N+:7]#[C-:6])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2)4(6-3)7-5/h4,7H,1-2H3/t4-/m1/s1",59.265209999999996,21.81539,
6954,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@@:2]2([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@@:5]2([H:15])/[C:6]1=[N:7]/[H:8],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5-2-3(6)4(5)7-5/h4,6-7H,2H2,1H3/b6-3+/t4-,5+/m0/s1",100.03723000000001,22.133470000000003,
6955,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]1=[C:6]=[N:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h6-7H,1-2H3",103.79522,35.46062,
6956,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5][H:15])[H:14])[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2,4-6)7-3/h3,7H,1-2H3",84.94436999999999,36.14625,
6957,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C+:5]=[C:6]=[N-:7])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2)7-4-3-6/h5,7H,1-2H3",74.10603,22.45459,
6958,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]1[N+:4]([C:3]([H:11])([H:12])[H:13])([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h5,7H,1-2H3/t5-/m0/s1",110.71328000000001,61.324980000000004,
6959,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[N:4][C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2)7-4-3-6/h4H2,1-2H3",70.59040999999999,-9.82592,
6960,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[N:7]=[C:6]=[C:5]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2)3-4-6-7-5/h3,7H,1-2H3",108.4812,74.18115999999999,
6961,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]([H:15])=[C:6]=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2)6-3-4-7-5/h3,6H,1-2H3",92.56124,49.694559999999996,
6962,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[H:8])([H:9])[H:10].[N:4](=[C:5](\[C:6]#[N:7])[H:15])\[H:14],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C3H6.C2H2N2/c1-3-2;3-1-2-4/h3H,1H2,2H3;1,3H/b;3-1-",97.92472,16.228,
6963,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@@:2]([C:3]([H:11])([H:12])[H:13])([H:9])[N:4]([H:14])[C:5]([H:15])=[C:6]=[N:7]1,"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5-4-6-2-3-7-5/h3,5,7H,4H2,1H3/t5-/m0/s1",90.96529,42.39014,
6964,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C+:2]([C:3]([H:11])([H:12])[H:13])[N:4]([C:5](=[C:6]=[N-:7])[H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2)7-4-3-6/h4,7H,1-2H3",40.21464,17.12787,
6965,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[N:4]([C@:5]1([H:15])[C:6]([H:8])=[N:7]1)[H:14])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-4(2)7-5-3-6-5/h3,5,7H,1H2,2H3/t5-/m1/s1",95.3609,35.32979,
6966,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N+:4]([C:6]#[N:7])([H:14])[C-:5]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2)3-7(5)4-6/h3,7H,1-2H3",95.33719,70.17506999999999,
6967,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[C:3](\[O:4][H:14])(=[C:5](/[C:6]#[N:7])[H:16])[H:13].[H:10][H:15],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H3NO.C2H4.H2/c4-2-1-3-5;1-2;/h1,3,5H;1-2H2;1H/b3-1+;;",95.57168,50.81043,
6968,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[C:6]=[N:7][H:14])([H:15])[H:16],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H6O.C2H3N/c1-2-3-4;1-2-3/h3H,2H2,1H3;3H,1H2",46.87276,34.71315,Retroene
6969,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]([C:5]([C:6]#[N:7])([H:15])[H:16])[H:14],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H6.C2H3NO/c1-3-2;3-1-2-4/h1H,3H2,2H3;4H,2H2",132.01398,31.57395,
6970,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([N+:7]#[C-:6])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H9NO/c1-3-5(7)4-6-2/h5,7H,3-4H2,1H3/t5-/m1/s1",60.77616999999999,23.23481,
6971,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5](=[C:6]=[N:7][H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h3,5-7H,2H2,1H3/t5-/m1/s1",93.40158000000001,25.60792,
6972,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:4][H:14])([H:8])([H:9])[H:10].[C:2](=[C:3]([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H5N.CH4O/c1-2-3-4-5;1-2/h2H,1,3H2;2H,1H3",114.92754,29.14276,"1,3_Insertion_ROR"
6973,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C:2]([C:3](=[O:4])[H:13])([C:5]([C:6]#[N:7])([H:15])[H:16])([H:11])[H:12],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H5NO.CH4/c5-3-1-2-4-6;/h4H,1-2H2;1H4",103.79456,10.963519999999999,
6974,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]#[N:7])([H:15])[H:16])([H:11])[H:13])([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO.H2/c1-2-5(7)3-4-6;/h2-3H2,1H3;1H",93.70902,15.288079999999999,
6975,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[C@:3]([O:4][H:14])([H:13])[C:5]([H:15])([H:16])/[C:6]1=[N:7]/[H:8],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H9NO/c6-4-1-2-5(7)3-4/h5-7H,1-3H2/b6-4+/t5-/m1/s1",93.54046,3.16465,
6976,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[C:3](=[O:4])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13].[H:10][H:14],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H3NO.C2H4.H2/c4-2-1-3-5;1-2;/h3H,1H2;1-2H2;1H",86.96332,47.91953,
6977,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:4][H:14])=[C:5]([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]=[N:7][H:13],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H8O.CHN/c1-3-4(2)5;1-2/h5H,2-3H2,1H3;2H",102.0287,40.28074,
6978,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4]/[C:6](=[N:7]\[H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H9NO/c1-2-4-3-5(6)7-4/h4,6H,2-3H2,1H3/b6-5-/t4-/m1/s1",74.32826,10.14657,
6979,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:14])([H:13])[C:5]([H:15])([H:16])[C:6][N:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H9NO/c1-4-5(7)2-3-6-4/h4-7H,2H2,1H3/t4-,5-/m0/s1",97.44354,42.57083,
6980,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N+:1]([C:2]1=[C:3]=[N:4][C:5]([H:11])=[N:6][N-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H3N4/c4-3-1-5-2-6-7-3/h2H,4H2/q-1/p+1",78.71866999999999,75.20924000000001,
6981,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2](=[C:3]=[N:4][C:5](=[N+:6]=[N-:7])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-1-2-6-3-7-5/h1,3H,4H2",102.48461,57.38265,
6982,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][N:6]2[C@@:3]1([H:10])[N:4]=[C:5]2[H:11])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-2-3-5-1-7(3)6-2/h1,3H,(H2,4,6)/t3-/m1/s1",93.88918000000001,59.375440000000005,
6983,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[N:4]=[C:5]=[N+:6]([H:11])[N-:7]1)([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1,6H,4H2",84.69876,41.56471,
6984,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2](/[C:3](=[N:4]\[H:11])[H:10])=[N:7]/[N+:6]#[C-:5])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c1-6-7-3(5)2-4/h2,4H,(H2,5,7)/b4-2-",93.91956,41.7743,
6985,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C@:2]12[C@:3]3([H:10])[N:4]=[C:5]([H:11])[N:6]1[N:7]23)([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-3-2-5-1-6(3)7(2)3/h1-2H,4H2/t2-,3-,6?,7?/m1/s1",74.0658,64.33969,
6986,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[C:3]=[N+:4]([H:10])[C:5]([H:11])=[N:6][N-:7]1)([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H3N4/c4-3-1-5-2-6-7-3/h2H,4H2/q-1/p+1",83.27069,37.367,
6987,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2](=[C:3]([N+:4]#[C:5][H:11])[H:10])[N:7]=[N-:6])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c1-6-2-3(4)7-5/h1-2H,4H2",80.63147,74.15584,
6988,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[C:3]=[N:4][C:5]([H:11])=[N:6][N:7]1[H:10])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h2,7H,4H2",113.06216,51.2873,
6989,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([c:2]1[c:3]([H:10])[n:4]2[c:5]([H:11])[n:6][n:7]12)([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-3-1-6-2-5-7(3)6/h1-2H,4H2",117.28321000000001,86.77668,
6990,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C-:2](/[N:7]=[N+:6]=[C:5]([N+:4]#[C-:3])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c1-5-3-7-6-2-4/h2-3H,4H2",104.79281,33.94616,
6991,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][N:6]=[C:5]=[N:4][C:3]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1H2,(H2,4,7)",119.03268,56.10233,
6992,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[N+:4]([H:11])=[C:5]=[N:6][N-:7]1)([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H3N4/c4-3-1-5-2-6-7-3/h1H,4H2/q-1/p+1",93.24320999999999,55.57048,
6993,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[C:3](#[N:4])[H:10].[C:5](#[N:6])[H:11].[N:1]([C:2]#[N:7])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)",InChI=1S/CH2N2.2CHN/c2-1-3;2*1-2/h2H2;2*1H,96.23885,18.645979999999998,
6994,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1](=[C:2]1/[C:3]([H:8])([H:10])[N:4]=[C:5]([H:11])[N:6]=[N:7]1)\[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h2,4H,1H2/b4-3-",83.26528,35.54149,
6995,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C@:2]1([N-:7][N+:6]#[C:5][H:11])[C:3]([H:10])=[N:4]1)([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c1-5-7-3(4)2-6-3/h1-2H,4H2/t3-/m1/s1",103.10045,88.96318000000001,
6996,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1](=[C:2]1\[C:3]([H:10])=[N:4][C:5]([H:9])([H:11])[N:6]=[N:7]1)\[H:8],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1,4H,2H2/b4-3+",94.51156999999999,37.36946,
6997,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]/[C:3](=[N:4]/[C-:5]([N+:6]#[N:7])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-1-2-6-3-7-5/h2-3H,4H2/b6-2+",91.69609,75.06132,
6998,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C-:2]=[C:3]([N+:4]#[C:5][H:11])[H:10])([H:8])[H:9].[N:6]#[N:7],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N2.N2/c1-5-3-2-4;1-2/h1,3H,4H2;",79.59578,48.48705,
6999,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:6]=[N:7][H:15])([H:8])([H:9])[H:10].[C:4](=[N:5][H:14])([H:12])[H:13],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C3H5NO.CH3N/c1-3(5)2-4;1-2/h4-5H,1H3;2H,1H2",57.364509999999996,49.73232,Retroene
7000,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])=[C:6]=[N:7][O:3][H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-4(2-5)3-6-7/h7H,2,5H2,1H3",97.90563,60.37874,
7001,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]([H:15])[N:7]([H:14])[C:6]1)([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-4(7)2-5-6-3-4/h5-7H,2H2,1H3/t4-/m1/s1",88.64229,61.017030000000005,
7002,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:6]#[N:7])[C:4]([H:12])([H:13])[N:5]1[H:14])([H:8])([H:9])[H:10].[O:3]([H:11])[H:15],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2.H2O/c1-4(2-5)3-6-4;/h6H,3H2,1H3;1H2/t4-;/m0./s1",82.77871,23.622629999999997,
7003,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]([H:15])/[C:6]1=[N:7]\[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-4(7)2-6-3(4)5/h7H,2H2,1H3,(H2,5,6)/t4-/m1/s1",91.63509,10.18565,
7004,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:6]([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-4(7)3(2-5)6-4/h7H,2,5H2,1H3/t4-/m1/s1",73.01066999999999,32.736090000000004,
7005,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:11])(/[C:4](=[N:5]/[H:14])[H:12])[C:6]#[N:7])([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2O.H2/c1-4(7,2-5)3-6;/h2,5,7H,1H3;1H/b5-2+;/t4-;/m1./s1",102.72058,24.022489999999998,
7006,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@:2]([O:3][H:11])([C:6]#[N:7])[H:13])([H:8])([H:9])[H:10].[C:4]([N:5]([H:14])[H:15])[H:12],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C3H5NO.CH3N/c1-3(5)2-4;1-2/h3,5H,1H3;1H,2H2/t3-;/m0./s1",72.27665,60.2169,
7007,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@:2](/[C:3](=[C:4](\[N:5]([H:8])[H:14])[H:13])[H:12])([H:11])[C:6]1=[O:7],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c6-2-1-4-3-5(4)7/h1-2,4H,3,6H2/b2-1-/t4-/m1/s1",94.75313,47.392540000000004,
7008,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:6]1/[N:5]([H:14])[C:4]([H:13])=[C:3]([H:12])[O:7]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-2-5-6-3-4-7-5/h2-4,6H,1H3/b5-2-",132.28495,32.330020000000005,ketoenol
7009,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]=[C:6]1[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1",51.905440000000006,12.13222,ketoenol
7010,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1](/[C:2](=[C:3]([C:4](=[N:5]/[H:14])/[H:13])\[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C4H7N.CO/c1-2-3-4-5;1-2/h2-5H,1H3;/b3-2+,5-4+;",61.61425,28.611790000000003,
7011,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:3]1([H:12])[C:2]([H:11])=[C:6]([O-:7])[N+:5]([H:14])=[C:4]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h2-4,7H,1H3/t4-/m1/s1",74.09581999999999,35.16106,
7012,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:6](/[C:2](=[C:3]([C:4](=[N:5]\[H:14])\[H:13])/[H:12])[H:11])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-5(7)3-2-4-6/h2-4,6H,1H3/b3-2-,6-4+",61.82813,29.114959999999996,
7013,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[O:7]/[C:6]1=[N:5]\[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-7-5(4)6/h2-4,6H,1H3/b6-5-/t4-/m0/s1",121.96903999999999,16.86755,ketoenol
7014,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([O-:7])[N+:5]([H:11])([H:14])[C:4]([H:13])=[C:3]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-3,6-7H,1H3",66.89495,36.63603,
7015,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:12])[C:4]([H:13])=[N:5][C:6]1=[O:7])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H5NO.H2/c1-4-2-3-6-5(4)7;/h2-3H,1H3;1H",83.61455,37.98563,
7016,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C-:4][N:5]([H:14])[C+:6]1[O:7][H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2,4,6-7H,1H3/t4-/m0/s1",132.05309,74.13752,
7017,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([O-:7])[N+:5]([H:14])=[C:4]([H:13])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h3,7H,2H2,1H3",49.55028,33.82798,
7018,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([N+:5]1([H:14])[C:4]([H:13])=[C:3]([H:12])[C:2]([H:11])=[C:6]1[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3",80.04149,40.22464,
7019,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[C:4]([H:13])[N:5]([H:14])[C+:6]1[O:7][H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h3-4,6-7H,1H3/t4-/m0/s1",135.14666,79.02804,
7020,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C-:4]=[N+:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h4,6H,2H2,1H3/t4-/m0/s1",58.120169999999995,35.10399,Singlet_Carbene_Intra_Disproportionation
7021,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[N:5](=[C:6]=[O:7])[H:14],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C4H6.CHNO/c1-3-4-2;2-1-3/h4H,1H2,2H3;2H",118.251,34.848,
7022,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:12])=[C:4]1[H:13])([H:8])([H:9])[H:10].[N:5](=[C:6]=[O:7])[H:14],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C4H6.CHNO/c1-4-2-3-4;2-1-3/h2-4H,1H3;2H",118.06022,57.131809999999994,
7023,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3]([C:4](=[N:5]/[H:14])/[H:13])\[H:12])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-5(4-7)2-3-6/h2-4,6H,1H3/b5-2-,6-3+",50.413709999999995,29.758509999999998,
7024,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3](/[C:4](=[N:5]/[H:14])[H:13])([H:12])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-3-4(2-6)5(3)7/h2-4,6H,1H3/b6-2+/t3-,4-/m0/s1",68.24372,46.67429,
7025,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3](=[C:4]([H:12])[H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-3-4(2)6-5(3)7/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1",118.27203999999999,15.465489999999999,
7026,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:14])[C:4]([H:13])=[N:5][C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h3-4H,2H2,1H3/t4-/m0/s1",82.14891,5.77372,
7027,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2][C@@:5]1([H:15])[C:4]([H:13])([H:14])[C:3]([H:11])([H:12])[O:7][C:6]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-2-6-3-4-7-5-6/h6H,3-5H2,1H3/t6-/m0/s1",109.62338000000001,53.15449,
7028,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:5]1([H:15])[C:4]([H:13])([H:14])[C:3]([H:11])([H:12])[C-:2]=[O+:7][C:6]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-6-3-2-4-7-5-6/h6H,2-3,5H2,1H3/t6-/m0/s1",112.36192,24.3441,
7029,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([C:6]([O:7][H:15])([H:16])[H:17])[C:4]([H:13])([H:14])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(5)4-7/h7H,2-4H2,1H3",112.43686000000001,-6.16614,
7030,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1([O+:7]=[C-:6][H:16])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-6(7-2)4-3-5-6/h2H,3-5H2,1H3",84.90543000000001,47.017790000000005,
7031,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:12])([H:16])[H:17])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(5)4-7/h2,6-7H,3-4H2,1H3/t6-/m0/s1",58.35841,-4.77112,
7032,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:3]([C:4]([H:13])([H:14])[H:15])([H:11])[H:12])[C:5][C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-3-6(2)4-5-7-6/h3,5H2,1-2H3/t6-/m0/s1",76.70212,64.35327,
7033,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([C:4]([C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h6H,3-5H2,1H3/t6-/m0/s1",103.88025,69.19375,
7034,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C-:6]=[O+:7]2)([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H8O.H2/c1-6-3-2-5(6)4-7-6;/h5H,2-3H2,1H3;1H/t5-,6-;/m0./s1",87.27089000000001,66.64133000000001,
7035,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:15])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5][C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h6H,2,4-5H2,1H3/t6-/m0/s1",71.44830999999999,45.446090000000005,
7036,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[O:7][C:6]([C:5](=[C:4]([H:13])[H:14])[H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-4-5-7-6(2)3/h4H,1-2,5H2,3H3",92.78392,-6.20314,
7037,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C:2]12=[C:5]([C:4]([H:13])([H:14])[C:3]1([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]2,"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1",InChI=1S/C5H6O.CH4/c1-2-5-4(1)3-6-5;/h1-3H2;1H4,128.02931,64.12143,
7038,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:14])=[C:5]1[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H8O.H2/c1-6-3-2-5(6)4-7-6;/h2H,3-4H2,1H3;1H/t6-;/m0./s1",124.06808999999998,64.00079000000001,
7039,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1=[O+:7][C-:6]([H:17])[C@@:5]1([C:4]([C:3]([H:11])([H:12])[H:16])([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-3-6-4-7-5(6)2/h4,6H,3H2,1-2H3/t6-/m0/s1",80.55535,51.22846,
7040,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:3]([C:4]([C@:5]1([H:15])[C-:2]=[O+:7][C:6]1([H:16])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-2-3-6-4-7-5-6/h6H,2-4H2,1H3/t6-/m0/s1",120.8501,40.93985,
7041,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:7][H:17])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6][H:16])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-5-3-4-6(5,2)7/h1,5,7H,3-4H2,2H3/t5-,6+/m1/s1",74.48891,68.523,
7042,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([O:7][C:6]([C@@:5]1([H:15])[C:2][C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-7-5-6-3-2-4-6/h6H,2-3,5H2,1H3/t6-/m1/s1",124.76173999999999,76.46892,
7043,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:3]([C:4]([C:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-3-4-6(2)5-7-6/h1H,3-5H2,2H3/t6-/m0/s1",89.59174,79.86326,
7044,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:14])[C@:5]([C:4][H:13])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-5-4-7-6(5,2)3/h1,5H,4H2,2-3H3/t5-/m0/s1",81.64641,74.88861,
7045,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([H:14])[C@:5]2([C:6]([O:7][H:13])([H:16])[H:17])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-6-2-4(6)5(6)3-7/h4-5,7H,2-3H2,1H3/t4-,5-,6-/m1/s1",71.71889,12.66093,
7046,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([O+:7]=[C-:6][H:17])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-4(6)5(2)7-3/h3-6H,1-2H3/t4-,5-/m1/s1",84.29842,47.028240000000004,
7047,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([O:3][H:12])([H:8])([H:9])[H:10].[C:2]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H6O.CH4O/c1-4-2-3-5-4;1-2/h1,4H,2-3H2;2H,1H3/t4-;/m0./s1",125.13563,26.44561,
7048,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@@:4]1([C:5]([C:6]([O:7][H:12])([H:16])[H:17])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-4-5(7-4)2-3-6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1",60.77615,2.7227900000000003,
7049,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5](=[C:6]([H:16])[H:17])[H:14])([O:7][H:15])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-3-5(7)4(2)6/h3-7H,1H2,2H3/t4-,5-/m1/s1",86.84097,-7.7412399999999995,
7050,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]([O:3][H:12])[C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1,"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H6O2.CH4/c5-3-4-1-2-6-4;/h4-5H,1-2H2;1H4/t4-;/m1./s1",81.87591,59.567190000000004,
7051,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](=[C:5]([H:14])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:16])[H:17],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-3-4(2)5;1-2/h3-5H,1H2,2H3;1H2/t4-;/m1./s1",59.46402,12.49116,2+2_cycloaddition
7052,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2](=[O:3])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H6O2.CH4/c5-3-4-1-2-6-4;/h3-4H,1-2H2;1H4/t4-;/m1./s1",85.70303,14.582220000000001,
7053,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:5]([C:6]([O+:7]=[C-:4][H:13])([H:16])[H:17])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-5(6)3-4-7-2/h2,5-6H,3-4H2,1H3/t5-/m1/s1",125.31258999999999,52.53761,
7054,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-4(6)5-2-3-7-5;/h5H,2-3H2,1H3;1H/t5-;/m1./s1",84.91327,17.00292,
7055,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:13])=[C:5]([H:14])[C:6]([H:16])([H:17])[O:7]1.[H:12][H:15],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C3H4O.C2H4O.H2/c1-2-4-3-1;1-2-3;/h1-2H,3H2;2H,1H3;1H",93.60239,49.082359999999994,
7056,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:12])[C@@:4]2([H:13])[C@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-5(6)3-2-7-4(3)5;/h3-4,6H,2H2,1H3;1H/t3-,4+,5-;/m0./s1",118.31853999999998,42.51911,
7057,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1,"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-2-4-3-1;1-2-3/h1-3H2;2H,1H3",88.62951,16.6826,
7058,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:12])([H:16])[H:17])([H:14])[H:15])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h6H,2-4H2,1H3",56.516090000000005,-23.500770000000003,
7059,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C-:6]=[O+:7]1)[H:11])([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-4(6)5-2-3-7-5;/h4-6H,2H2,1H3;1H/t4-,5-;/m1./s1",86.4261,67.61895,
7060,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4]1\[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10].[O:3]([H:12])[H:13],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O.H2O/c1-2-5-3-4-6-5;/h2H,3-4H2,1H3;1H2/b5-2+;",73.68109,9.30952,"1,3_Insertion_ROR"
7061,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([O:7][C:6]([C:5]([C:4][H:13])([H:14])[H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h1,5-6H,3-4H2,2H3/t5-/m0/s1",112.55271,78.07799,
7062,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]([C@@:7]1([H:12])[C@:5](/[C:4](=[N:3]/[H:8])[H:10])([H:11])[O:6]1)[H:9],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c5-1-3-4(2-6)7-3/h1-5H/b5-1+/t3-,4+/m1/s1",102.62483,30.456940000000003,
7063,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[H:9][H:10].[O:1]=[C:2]1[N+:3]([H:8])=[C-:4][C@@:5]2([H:11])[O:6][C@@:7]12[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H3NO2.H2/c6-4-3-2(7-3)1-5-4;/h2-3,5H;1H/t2-,3-;/m1./s1",87.32441999999999,70.60852,
7064,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[H:8][H:9].[O:1]=[C:2]1[N:3]=[C:4]([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H3NO2.H2/c6-4-3-2(7-3)1-5-4;/h1-3H;1H/t2-,3-;/m1./s1",104.77731,42.2359,
7065,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]([C-:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]2=[O+:6][C@@:7]12[H:12])[H:11],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h3,5-6H,1H2/t3-/m1/s1",138.94758000000002,73.36948000000001,
7066,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O-:1][C:2]1=[C:7]=[O+:6][C:5]([H:11])([H:12])[C:4]([H:9])([H:10])[N:3]1[H:8],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-4-3-7-2-1-5-4/h5H,1-2H2",77.51541999999999,46.384479999999996,
7067,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]([N+:3](=[C:4]([H:9])[H:10])[H:8])[C:7](=[C:5]([O-:6])[H:11])[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c1-5-4(7)2-3-6/h2-3,6H,1H2",64.31076,29.62766,
7068,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O-:1][C:7](=[C+:2][N:3]([C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-3-1-5-2-4-7/h3-5H,1H2",87.92013,44.63564,
7069,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[H:10][H:11].[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])=[C:5]2[O:6][C@@:7]12[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H3NO2.H2/c6-4-3-2(7-3)1-5-4;/h1,3H,(H,5,6);1H/t3-;/m1./s1",115.99801000000001,85.50156,
7070,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]([C:7][H:12])([H:11])[O:6]1,"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c1-3-2-5-4(6)7-3/h1,3H,2H2,(H,5,6)/t3-/m0/s1",73.43414,67.18557,
7071,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]=[N:3][C:4]([C@@:5]1([H:11])[O:6][C:7]1([H:8])[H:12])([H:9])[H:10],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-3-5-1-4-2-7-4/h4H,1-2H2/t4-/m1/s1",101.36031,7.49582,
7072,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]([C:2]1=[N:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12])[H:8],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1",51.8389,12.1324,ketoenol
7073,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[H:10][H:12].[O-:1][C:2]1=[C:7]2[C@@:5]([H:11])([C:4]([H:9])=[N+:3]1[H:8])[O:6]2,"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H3NO2.H2/c6-4-3-2(7-3)1-5-4;/h1-2,6H;1H/t2-;/m1./s1",137.94031999999999,93.93486,
7074,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]([N+:3](=[C-:4][H:9])[H:8])[C@@:7]1([H:12])[C:5]([H:10])([H:11])[O:6]1,"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c1-5-4(6)3-2-7-3/h1,3,5H,2H2/t3-/m1/s1",98.57113000000001,66.03981999999999,
7075,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O-:1][C:2]1=[C+:7][C@@:5]([O:6][H:12])([H:11])[C:4]([H:9])([H:10])[N:3]1[H:8],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-3-1-4(7)5-2-3/h3,5-6H,2H2/t3-/m0/s1",71.99382,67.30207,
7076,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C-:5]=[O+:6][C:7]1([H:11])[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-4-3-7-2-1-5-4/h1,3H2,(H,5,6)",72.2244,38.96562,
7077,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:10])=[C:5]([H:11])[C@:7]1([O:6][H:9])[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-3-1-2-5-4(3)7/h1-3,6H,(H,5,7)/t3-/m1/s1",68.89471999999999,-10.94,
7078,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]1[C:2]([C@@:7]2([H:12])[C@:5]([C:4]([H:8])([H:9])[H:10])([H:11])[O:6]2)=[N:3]1,"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c1-2-3(6-2)4-5-7-4/h2-3H,1H3/t2-,3-/m1/s1",94.7779,84.59692,
7079,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O-:1][C-:2]1[N+:3]([H:8])([H:11])[C:4]([H:9])([H:10])[C:5]2=[O+:6][C@@:7]12[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h3H,1,5H2/t3-/m1/s1",121.24011999999999,78.66199,
7080,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[H:8][H:12].[O:1]=[C:2]=[N:3][C:4]([C@@:5]1([H:11])[O+:6]=[C-:7]1)([H:9])[H:10],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H3NO2.H2/c6-3-5-1-4-2-7-4;/h4H,1H2;1H/t4-;/m1./s1",150.56703000000002,73.92621,
7081,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O-:1][C:2]([N:3]([C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])=[C+:7][H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c1-4(7)5-2-3-6/h1,3,5H,2H2",74.48648,68.80657,
7082,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5][C@:7]1([O:6][H:11])[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-3-1-2-5-4(3)7/h3,6H,2H2,(H,5,7)/t3-/m1/s1",68.17574,62.90965,
7083,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]([C@@:5]1([H:11])[N:3]([H:8])[C:4]1([H:9])[H:10])[C:7](=[O:6])[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-2-4(7)3-1-5-3/h2-3,5H,1H2/t3-/m0/s1",75.63147,24.7649,
7084,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[H:8][H:11].[O-:1][C:2]1=[N:3][C:4]([H:9])([H:10])[C:5]2=[O+:6][C@@:7]12[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H3NO2.H2/c6-4-3-2(7-3)1-5-4;/h3H,1H2;1H/t3-;/m1./s1",141.57715,108.20962,
7085,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]([C:2]1=[C:7]2[C@@:5]([H:11])([C:4]([H:9])([H:10])[N:3]1[H:8])[O:6]2)[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2,5-6H,1H2/t2-/m1/s1",76.02526999999999,60.992090000000005,ketoenol
7086,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](/[C:5](=[C:6](\[O:7][H:16])[H:17])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h2,4-7H,3H2,1H3/b4-2-/t5-/m1/s1",70.8206,10.23897,ketoenol
7087,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6][O:7][H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h5-7H,2-3H2,1H3/t5-/m1/s1",80.90334,54.24828,
7088,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]1([H:13])[H:14])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:12])[H:17])([H:15])[H:16],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-3-2-4-3;1-2-3/h3H,2H2,1H3;2-3H,1H2/t3-;/m1./s1",88.73615,42.17544,
7089,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]([O:3][H:12])[C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H6O2.CH4/c5-3-1-2-4-6;/h3,6H,1-2H2;1H4",84.19489,63.01546999999999,
7090,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:12])=[C:4]([H:13])[H:14])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:11])[H:17])([H:15])[H:16],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-3(2)4;1-2-3/h4H,1H2,2H3;2-3H,1H2",64.29201,25.58107,Retroene
7091,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])(/[C:4](=[C:5](\[C:6](=[O:7])[H:17])[H:15])[H:14])[H:11])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2.H2/c1-5(7)3-2-4-6;/h2-5,7H,1H3;1H/b3-2-;/t5-;/m1./s1",89.40382,30.917579999999997,
7092,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](=[C:5]([H:15])[H:16])[H:14])[H:11])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:13])[H:17],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-3-4(2)5;1-2/h3-5H,1H2,2H3;1H2/t4-;/m1./s1",71.58075,31.9246,
7093,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([O:3][H:12])([H:8])([H:9])[H:10].[C:2]([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H6O.CH4O/c1-2-3-4-5;1-2/h1,4H,2-3H2;2H,1H3",125.58975,86.00658,
7094,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](/[C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])[H:11])([H:8])([H:9])[H:10].[O:3]([H:12])[H:13],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O.H2O/c1-2-3-4-5-6;/h2-3,5H,4H2,1H3;1H2/b3-2+;",65.71378,13.575389999999999,"1,3_Insertion_ROR"
7095,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([O:3][H:12])([H:11])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C@@:6]1([O:7][H:9])[H:17],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c6-4-1-2-5(7)3-4/h4-7H,1-3H2/t4-,5-/m0/s1",83.73803000000001,-0.28037,
7096,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:6]([O:7][H:12])([H:17])[C:5]([H:15])([H:16])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-4-2-3-5(6)7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1",35.20769,-3.60826,
7097,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:12])([H:11])[H:17])([H:15])[H:16])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h6H,2-4H2,1H3",40.788470000000004,-3.1735599999999997,
7098,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4]([O:7][C:6](=[C:5]([H:15])[H:16])[H:17])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-3-7-4-5(2)6/h3,5-6H,1,4H2,2H3/t5-/m1/s1",91.78393,20.535729999999997,ketoenol
7099,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([O:7][C:5](=[O+:4][C-:3]([H:12])[H:13])[C:6]([H:15])([H:16])[H:17])([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O2/c1-4-7-5(2)6-3/h3-4H2,1-2H3",118.75161999999999,72.98365,
7100,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[O+:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H8O2.H2/c1-4-3-6-5(2)7-4;/h4-5H,1-2H3;1H/t4-,5+;/m0./s1",82.30811,63.313930000000006,
7101,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C-:2]1[C:3]([H:12])([H:13])[O:4][C:5]([C:6]([H:15])([H:16])[H:17])=[O+:7]1)([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H8O2.H2/c1-4-3-6-5(2)7-4;/h3H2,1-2H3;1H",83.57948,75.7669,
7102,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O+:4]=[C-:5][O:7]1)([H:8])([H:9])[H:10].[C:6]([H:14])([H:15])([H:16])[H:17],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H6O2.CH4/c1-4-2-5-3-6-4;/h4H,2H2,1H3;1H4/t4-;/m0./s1",81.66635,34.537040000000005,
7103,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[O:4]([C:5]([C:6]([H:15])([H:16])[H:17])=[O:7])[H:14],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C3H6.C2H4O2/c1-3-2;1-2(3)4/h3H,1H2,2H3;1H3,(H,3,4)",97.12214,-7.3329699999999995,
7104,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([O:4][C:6]([H:15])([H:16])[H:17])([H:12])[H:13])([O+:7]=[C-:5][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O2/c1-5(7-3)4-6-2/h3,5H,4H2,1-2H3/t5-/m0/s1",125.47815,77.40753000000001,
7105,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[O:4][C@@:5]([C:6]([H:15])([H:16])[H:17])([O:7][H:12])[H:14])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-6H,1-2H3/b4-3+/t5-/m0/s1",76.65301,6.54491,
7106,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[O+:4][C-:5]([C:6]([H:15])([H:16])[H:17])[H:14])[H:12])([O:7][H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O2/c1-3-7-4-5(2)6/h3-6H,1-2H3/t5-/m0/s1",95.16879,68.92706,
7107,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]([H:13])[O+:4]=[C:5]([H:14])[O:7]1)([H:8])([H:9])[H:10].[C:6]([H:12])([H:15])([H:16])[H:17],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H6O2.CH4/c1-4-2-5-3-6-4;/h2-4H,1H3;1H4/t4-;/m0./s1",94.54191999999999,71.53282,
7108,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]([H:12])[O+:4]=[C:5]([C:6]([H:15])([H:16])[H:17])[O:7]1)([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H8O2.H2/c1-4-3-6-5(2)7-4;/h3-4H,1-2H3;1H/t4-;/m0./s1",82.76700000000001,74.85271999999999,
7109,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:4][H:11])([H:12])[H:13])=[O+:7][C-:5]([C:6]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h3,6H,4H2,1-2H3",93.24424,67.32191999999999,
7110,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2]1([H:11])=[C:3]([H:13])[O:4][C:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1,"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H6O2.CH4/c1-4-5-2-3-6-4;/h2-4H,1H3;1H4",114.48082,20.54039,
7111,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]([O:7][C@@:5]([O:4][C:3]([H:9])([H:12])[H:13])([C:6]([H:15])([H:16])[H:17])[H:14])[H:11])([H:8])[H:10],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O2/c1-4-7-5(2)6-3/h4-5H,1H2,2-3H3/t5-/m1/s1",105.93637,19.207320000000003,
7112,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([O+:4]=[C-:5][C:6]([H:15])([H:16])[H:17])([H:12])[H:13])([O:7][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O2/c1-3-7-4-5(2)6/h5-6H,4H2,1-2H3/t5-/m0/s1",79.69530999999999,61.41573,
7113,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([O:7][C@@:5]([O+:4]=[C-:3][H:13])([C:6]([H:15])([H:16])[H:17])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O2/c1-4-7-5(2)6-3/h3,5H,4H2,1-2H3/t5-/m1/s1",81.00726,67.04182,
7114,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:12])([H:11])[H:13])([H:8])([H:9])[H:10].[C:5]([C:6]([H:15])([H:16])[H:17])(=[O:7])[H:14],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h3H,2H2,1H3;2H,1H3",66.70128000000001,8.330789999999999,
7115,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C-:2]([O+:7]=[C:5]([O:4][C:3]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O2/c1-4-7-5(2)6-3/h4H,1-3H3",117.96497,76.73959,
7116,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C:5]([H:11])([H:14])[C:6]([H:12])([H:13])[C:7]1)\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-5-3-1-2-4-7-5/h6H,1-2,4H2/b6-5-",73.69994,73.28285,
7117,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C-:2][C@@:7]1([H:14])[C+:5]([C:4]([O:3][H:11])([H:9])[H:10])[C:6]1([H:12])[H:13])[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-2-4-1-5(4)3-7/h4,6-7H,1,3H2/t4-/m0/s1",121.51185,87.14019,
7118,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[C:5]1([H:11])=[C:7]([H:14])[C:6]1([H:12])[H:13].[N:1](=[C:2])[H:8].[O:3]=[C:4]([H:9])[H:10],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C3H4.CHN.CH2O/c1-2-3-1;2*1-2/h1-2H,3H2;2H;1H2",116.37398999999999,92.92822,
7119,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C:5]([H:11])=[C:7]([H:14])[C:6]1([H:12])[H:13])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-5-3-1-2-4-7-5/h1-2,6H,3-4H2/b6-5-",98.63446,-3.38712,
7120,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@:5]([C:6]([H:12])([H:13])[H:14])([H:11])[C:7]1)\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h4,6H,3H2,1H3/b6-5-/t4-/m0/s1",70.13002,71.76009,
7121,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]1([H:8])[C@:2]23[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@:7]13[H:14],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-3-2-7-5(3)4(1)6-5/h3-4,6H,1-2H2/t3-,4+,5+/m1/s1",101.87711999999999,69.39058,
7122,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]1([H:8])[C:2](=[O:3])[C@:7]([C:5](=[C:4]([H:9])[H:10])[H:11])([H:14])[C:6]1([H:12])[H:13],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-2-4-3-6-5(4)7/h2,4H,1,3H2,(H,6,7)/t4-/m0/s1",73.80921,-1.17605,
7123,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]#[C:2][C@@:7]1([H:14])[C@:5]([C:4]([O:3][H:8])([H:9])[H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-2-4-1-5(4)3-7/h4-5,7H,1,3H2/t4-,5+/m0/s1",63.75103000000001,4.0544,
7124,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[H:9][H:12].[N:1](=[c:2]1\[o:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:13])[c:7]1[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H5NO.H2/c6-5-3-1-2-4-7-5;/h1-4,6H;1H/b6-5-;",105.59505,12.27795,
7125,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C:5][C@:7]1([C:6]([H:11])([H:12])[H:13])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-4-2-3-7-5(4)6/h4,6H,3H2,1H3/b6-5-/t4-/m1/s1",64.52960999999999,59.089240000000004,
7126,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[H:10][H:14].[N-:1]([C:2]1=[C:7]2[C@@:5]([H:11])([C:4]([H:9])=[O+:3]1)[C:6]2([H:12])[H:13])[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H5NO.H2/c6-5-4-1-3(4)2-7-5;/h2-3,6H,1H2;1H/t3-;/m1./s1",125.28765,87.76605,
7127,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1/[C@@:6]2([H:13])[C@:5]([C:4]([O:3][H:12])([H:9])[H:10])([H:11])[C@@:7]12[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-5-3-2(1-7)4(3)5/h2-4,6-7H,1H2/b6-5-/t2-,3+,4-/m1/s1",89.05335,45.85906,
7128,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2](\[O+:3]=[C-:4][H:10])[C:7]1([H:14])[C:5]([H:9])([H:11])[C:6]1([H:12])[H:13])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-7-5(6)4-2-3-4/h1,4,6H,2-3H2/b6-5-",89.99688,74.57758000000001,
7129,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C:5][C:6]([H:12])([H:13])[C:7]1([H:11])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-5-3-1-2-4-7-5/h6H,1,3-4H2/b6-5-",69.10668000000001,62.26708000000001,
7130,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]=[C:7]([C:6]([C:5]([C:4](=[O:3])[H:10])([H:9])[H:11])([H:12])[H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-4-2-1-3-5-7/h2,5-6H,1,3H2",80.99465,11.55001,
7131,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]#[C:2][O:3][C:4](/[C:5](=[C:7](\[C:6]([H:8])([H:12])[H:13])[H:14])[H:11])([H:9])[H:10],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-2-3-4-7-5-6/h2-3H,4H2,1H3/b3-2-",112.13858,14.065220000000002,
7132,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]1([H:8])[C:2]([O:3][C:4]([C:5](=[C:6]([H:12])[H:13])[H:11])([H:9])[H:10])=[C:7]1[H:14],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-2-3-7-5-4-6-5/h2,4,6H,1,3H2",92.92805,83.46029,
7133,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2](\[O:3][C:4](=[C:5]([H:10])[H:11])[H:9])[C:7](=[C:6]([H:12])[H:13])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-3-5(6)7-4-2/h3-4,6H,1-2H2/b6-5-",105.99816000000001,15.264270000000002,
7134,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C@:4]2([H:9])[C@@:5]([H:11])([C:6]2([H:12])[H:13])[C:7]1([H:10])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-5-2-3-1-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m0/s1",113.13203,1.70155,
7135,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]([C:2]1=[C:7]2[C@@:5]([H:11])([C:4]([H:9])([H:10])[O:3]1)[C:6]2([H:12])[H:13])([H:8])[H:14],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3H,1-2,6H2/t3-/m1/s1",72.73699,40.671209999999995,
7136,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]1([H:8])[C:2](=[O:3])[C@:7]1([C:6]([C:5](=[C:4]([H:9])[H:10])[H:11])([H:12])[H:13])[H:14],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-2-3-4-5(7)6-4/h2,4H,1,3H2,(H,6,7)/t4-/m1/s1",61.20078,24.85973,
7137,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]=[C:7]([C:5]1([H:11])[C:4]([H:9])([H:10])[O:3][C:6]1([H:12])[H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-2-1-5-3-7-4-5/h1,5-6H,3-4H2",106.56621000000001,35.269859999999994,
7138,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]([C:2]1=[O+:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C-:6]([H:12])[C@@:7]12[H:14])([H:8])[H:13],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h1,3-4H,2,6H2/t3-,4-/m1/s1",121.53578999999999,60.7847,
7139,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2](/[C:7]1([H:14])[C:5]([H:11])=[C:6]1[H:13])[H:12])\[H:8].[O:3]=[C:4]([H:9])[H:10],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1",InChI=1S/C4H5N.CH2O/c5-3-4-1-2-4;1-2/h1-5H;1H2/b5-3+;,124.0967,66.18751999999999,
7140,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]=[C:7]([C:6]([C@@:5]1([H:11])[O:3][C:4]1([H:9])[H:10])([H:12])[H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-3-1-2-5-4-7-5/h1,5-6H,2,4H2/t5-/m1/s1",93.6,34.00626,
7141,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[H:9][H:11].[N:1](=[C:2]1\[O:3][C:4]([H:10])=[C:5]2[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H5NO.H2/c6-5-4-1-3(4)2-7-5;/h2,4,6H,1H2;1H/b6-5-;/t4-;/m1./s1",117.00724,69.35138,
7142,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]([C@:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([C:6]([H:12])([H:13])[H:15])[C:7][H:14])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c1-5(2,7)3-4-6/h1,4,7H,3H2,2H3/t5-/m0/s1",67.94029,69.49905,
7143,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]([C:2](=[C:6]([H:12])[H:13])[C:7]([O:5][C:4](=[C:3]([H:9])[H:10])[H:11])([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c1-3-7-4-5(2)6/h3,6H,1-2,4H2",84.59269,9.39053,
7144,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1](/[C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])=[C:6](/[C:7]([H:12])([H:14])[H:15])[H:13])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h2,4,7H,3H2,1H3/b5-2+",67.1727,-8.30134,
7145,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@:4]([O:5][H:14])([H:11])[C@:7]1([H:15])[C:6]2([H:12])[H:13])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4+,5-/m0/s1",97.42987,17.760289999999998,
7146,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]([C@@:2]1([C:6]([H:12])([H:13])[H:14])[C:3]([H:9])([H:10])[C-:4]([H:11])[O+:5]=[C:7]1[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c1-5(6)2-3-7-4-5/h3-4,6H,2H2,1H3/t5-/m0/s1",67.04825,48.68345,
7147,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])=[C:7]([H:15])[C:6]1([H:12])[H:13].[O:1]([H:8])[H:14],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H6O.H2O/c6-4-3-5-1-2-5;/h1,4H,2-3H2;1H2",80.09124,38.82617,
7148,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]([C:2]1(/[C:3](=[C:4](\[O:5][H:8])[H:11])[H:9])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h3-4,6-7H,1-2H2/b4-3-",56.76546,6.5185,ketoenol
7149,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[C:3](=[C:4]([O:5][H:12])[H:11])([H:9])[H:10].[O:1]([C:2]1=[C:6]([H:13])[C:7]1([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C3H4O.C2H4O/c4-3-1-2-3;1-2-3/h1,4H,2H2;2-3H,1H2",74.14298000000001,55.633669999999995,Retroene
7150,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[C:6](=[C:7]([H:14])[H:15])([H:12])[H:13].[O:1]([C:2](=[C:3]([H:9])[H:10])[C:4](=[O:5])[H:11])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C3H4O2.C2H4/c1-3(5)2-4;1-2/h2,5H,1H2;1-2H2",73.59106,11.7392,
7151,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[C:2]1(=[C:3]([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15].[O:1]([C:4](=[O:5])[H:11])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C4H6.CH2O2/c1-4-2-3-4;2-1-3/h1-3H2;1H,(H,2,3)",70.76762,13.93954,
7152,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]([C:2]1([C:3]([O+:5]=[C-:4][H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c1-7-4-5(6)2-3-5/h1,6H,2-4H2",114.29203000000001,63.994780000000006,
7153,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]([C:2][C:7]([C:6]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:12])[H:13])([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4,7H,1-3H2",91.60294,39.349709999999995,
7154,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]([C:2]1([C:3]([C:4]([O:5][H:15])([H:11])[H:12])([H:9])[H:10])[C:6]([H:13])=[C:7]1[H:14])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h1-2,6-7H,3-4H2",78.93648,35.74008,
7155,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]1[C:2]2([C:3]([H:9])([H:10])[C@@:4]1([O:5][H:8])[H:11])[C:6]([H:12])([H:13])[C:7]2([H:14])[H:15],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c6-4-3-5(7-4)1-2-5/h4,6H,1-3H2/t4-/m1/s1",53.042469999999994,14.47105,
7156,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[C:3](=[C:4]([O:5][H:8])[H:11])([H:9])[H:10].[O:1]=[C:2]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C3H4O.C2H4O/c4-3-1-2-3;1-2-3/h1-2H2;2-3H,1H2",46.32821,32.92647,Retroene
7157,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[C-:4]#[O+:5].[O:1]([C:2](=[C:3]([H:9])[H:10])[C:6]([C:7]([H:11])([H:14])[H:15])([H:12])[H:13])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C4H8O.CO/c1-3-4(2)5;1-2/h5H,2-3H2,1H3;",60.980709999999995,-11.556510000000001,
7158,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]=[C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:7]([C:6]([H:8])([H:12])[H:13])([H:14])[H:15],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h4H,2-3H2,1H3",69.09184,-16.78562,
7159,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]([C:7]([C:6]([C:2][C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:12])[H:13])([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4,7H,2-3,5H2",104.04966,69.69022,
7160,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[C:6](=[C:7]([H:14])[H:15])([H:12])[H:13].[H:8][H:10].[O:1]=[C:2]=[C:3]([C:4](=[O:5])[H:11])[H:9],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2",InChI=1S/C3H2O2.C2H4.H2/c4-2-1-3-5;1-2;/h1-2H;1-2H2;1H,97.07064,31.43869,
7161,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[N:7]=[C:6]=[C:5]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-3-6-7-4-5(7)2/h5H,1,4H2,2H3/t5-,7?/m0/s1",96.61950999999999,43.77608,
7162,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N+:4]1([C:5]([C:6]#[N:7])([H:14])[H:15])[C-:2]([H:11])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-7(3-2-6)4-5-7/h4H,3,5H2,1H3",112.19951999999999,62.99148,
7163,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5](=[C:6]=[N:7][H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h3,5-6H,4H2,1H3/t5-,7?/m0/s1",90.18746999999999,25.01974,
7164,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]([H:12])[N+:4]1([C:5]([C:6]#[N:7])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h4-5,7H,3H2,1H3/t5-/m0/s1",67.69274,54.61714,
7165,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]2[C:5]([H:14])([H:15])[C:6]2=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-4-2-7-3-5(7)6-4/h4H,2-3H2,1H3/t4-,7?/m0/s1",110.97605,33.320170000000005,
7166,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:6]#[N:7])([H:12])[H:13])([N:4]=[C:5]([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-5(7-2)3-4-6/h5H,2-3H2,1H3/t5-/m0/s1",88.04751,-17.47534,
7167,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N+:4]([C-:3]([H:12])[H:13])=[C:5]([H:14])[H:15])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-5(4-6)7(2)3/h5H,2-3H2,1H3/t5-/m1/s1",68.05824,29.68647,
7168,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:4]/[C:3]([C:5]([C:6]#[N:7])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-2-7-5-3-4-6/h2H,3,5H2,1H3/b7-2+",95.12572,-19.94027,
7169,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:12])([H:13])[N:4]1[C:5]([H:14])([H:15])/[C:6]2=[N:7]/[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-5-3-7(5)2-4(5)6/h6H,2-3H2,1H3/b6-4-/t5-,7?/m0/s1",98.59042,15.74195,
7170,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N+:4]([C-:5]([C:6]#[N:7])[H:15])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H6N2.H2/c1-5-4-7(5)3-2-6;/h3H,4H2,1H3;1H",79.76366999999999,60.895990000000005,
7171,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[N+:4]([C-:3]([H:12])[H:13])[C:5]([C:6]#[N:7])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-3-7(2)5-4-6/h3H,2,5H2,1H3",48.76021,32.4041,
7172,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:13])[N:4]1[C:5]([H:14])([H:15])/[C:6]2=[N:7]/[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-3-5-4(6)2-7(3)5/h3,5-6H,2H2,1H3/b6-4-/t3-,5+,7?/m0/s1",99.30530999999999,17.41849,
7173,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:13])=[N+:4]1[C-:5]([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H6N2.H2/c1-5-4-7(5)3-2-6;/h3-5H,1H3;1H/t5-;/m0./s1",81.4028,62.55118,
7174,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:13])[N:4]1[C:5]([H:14])([H:15])[C:6][N:7]2[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-4-5-6-2-3-7(4)5/h4-6H,3H2,1H3/t4-,5+,7?/m0/s1",87.10284,36.92139,
7175,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C:2]1([H:11])=[N+:4]([C-:5]([C:6]#[N:7])[H:15])[C:3]1([H:12])[H:13],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C4H4N2.CH4/c5-1-2-6-3-4-6;/h2-3H,4H2;1H4",95.79558,55.030330000000006,
7176,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:4][C:3]1([H:12])[H:13])([H:8])([H:9])[H:10].[C:5](=[C:6]=[N:7][H:11])([H:14])[H:15],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C3H5N.C2H3N/c1-3-2-4-3;1-2-3/h2H2,1H3;3H,1H2",68.44918,37.29465,Retroene
7177,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([N+:7]#[C-:6])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-5-3-7(5)4-6-2/h5H,3-4H2,1H3/t5-,7?/m0/s1",57.30763,20.9032,
7178,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]1[C:3]([H:12])([H:13])[N+:4]1([C:5]([C:6]#[N:7])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h7H,3-4H2,1H3",76.49825,55.681459999999994,
7179,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C@@:4]([C:6]([H:13])([H:14])[H:15])([H:12])[C:5][N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3,5,7H,1-2H3/t5-/m0/s1",79.98534000000001,54.19947,
7180,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4](/[C:5]([C:6]([H:13])([H:14])[H:15])=[N:7]/[H:16])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-3-4-5-6(2)7/h3,5,7H,1-2H3/b7-6+",69.86016,43.34527,
7181,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([N+:7]1([H:16])[C-:2]=[C:3]([H:11])[C:4]([H:12])=[C:5]1[C:6]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-6-4-3-5-7(6)2/h3-4,7H,1-2H3",114.98884,86.21221,
7182,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])/[N+:7](=[C:5](\[C-:4])[C:6]([H:13])([H:14])[H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H8N/c1-5(2)7-6(3)4/h1H2,2-3H3/q-1/p+1/b7-6-",100.80154,102.4963,
7183,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C@@:5]([C:6]([H:13])([H:14])[H:15])([H:16])[C:4]([H:12])=[C:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-5H,1-2H3/t5-/m1/s1",45.90036,14.465179999999998,
7184,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:16])[C:5]([C:6]([H:13])([H:14])[H:15])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3H,4H2,1-2H3",45.825990000000004,12.18673,
7185,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:14])[C:5](=[C:6]([H:13])[H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h4,7H,1,3H2,2H3",89.80551,20.3187,
7186,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C-:2]1[C:3]([H:11])=[C:4]([H:12])[C:5](=[C:6]([H:13])[H:15])[N+:7]1([H:14])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4H,1,7H2,2H3",98.36718,72.48467,
7187,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:5]1([C:6]([H:13])([H:14])[H:15])[C+:4]([H:12])[C:3]([H:11])=[C-:2][N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-6(2)4-3-5-7-6/h3-4,7H,1-2H3",150.18293,55.28866,
7188,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3](/[C:4](=[C:5](/[C:6]([H:13])([H:14])[H:15])[N:7]([H:8])[H:16])[H:12])[H:11])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-3-4-5-6(2)7/h4-5H,1,7H2,2H3/b6-5-",94.88584,42.24536,
7189,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([H:12])[C@@:5]([C:6]([H:13])([H:14])[H:15])([H:8])[N:7]1[H:16])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,6-7H,1H2,2H3/t6-/m0/s1",93.54177,22.7885,Intra_ene_reaction
7190,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3]([H:11])([H:12])[C-:4]=[C:5]([C:6]([H:13])([H:14])[H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h7H,3H2,1-2H3",81.00939,77.04762,
7191,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3]([H:11])=[C-:4][C@:5]([C:6]([H:13])([H:14])[H:15])([H:12])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3,6-7H,1-2H3/t6-/m1/s1",69.88712,65.2918,Singlet_Carbene_Intra_Disproportionation
7192,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:4](\[C:5](=[C:6]([H:13])[H:15])[H:14])[H:12])[H:11])=[N:7]\[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-3-4-5-6(2)7/h3-5,7H,1H2,2H3/b5-4-,7-6+",89.79774,37.706559999999996,
7193,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[n:1]1([H:8])[c:2]([O:3][C:4](=[O:5])[H:9])[c:6]([H:10])[o:7]1,"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c5-2-6-3-1-7-4-3/h1-2,4H",88.49294,67.31676,
7194,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1](=[C:2]1\[O:3][C:4](=[O:5])[O:7][C:6]1([H:9])[H:10])\[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c4-2-1-6-3(5)7-2/h4H,1H2/b4-2-",75.0534,-22.79608,
7195,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[C-:6]#[O+:7].[C:4](=[O:5])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-",InChI=1S/CHNO.CH2O.CO/c2-1-3;2*1-2/h2H;1H2;,56.95723,0.81968,
7196,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6][O:7][H:10])\[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h2,4-5H/b4-3-",83.65484000000001,51.21397,
7197,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1]([C+:2]([C:4](=[O:3])[H:9])[C:6](=[O:7])[H:10])([O-:5])[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c5-1-3(2-6)4-7/h1-2,4H",90.73872,54.270830000000004,
7198,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[C-:6]#[O+:7].[N:1]([C-:2]=[O+:3][C:4](=[O:5])[H:9])([H:8])[H:10],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C2H3NO2.CO/c3-1-5-2-4;1-2/h2H,3H2;",53.37699,18.36319,
7199,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1]([C-:2]=[O+:3][C:4](=[O:5])[H:9])([C:6](=[O:7])[H:10])[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c5-1-4-2-7-3-6/h1,3H,(H,4,5)",52.564130000000006,20.857860000000002,
7200,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1](=[C:2]1\[O:3][C@:4]2([H:9])[O:5][C@@:6]1([H:10])[O:7]2)\[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c4-1-2-6-3(5-1)7-2/h2-4H/b4-1-/t2-,3+",57.544619999999995,36.37572,
7201,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1]([C:2](=[O:3])[C:6](=[O:7])[H:10])([C:4](=[O:5])[H:9])[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c5-1-3(7)4-2-6/h1-2H,(H,4,6,7)",27.956020000000002,-5.33973,ketoenol
7202,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[C-:4]#[O+:5].[N:1]([C:2](=[O:3])[C:6](=[O:7])[H:10])([H:8])[H:9],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C2H3NO2.CO/c3-2(5)1-4;1-2/h1H,(H2,3,5);",47.86193,-8.86209,
7203,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[O+:7]=[C-:6][H:10])\[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c1-6-3(4)7-2-5/h1-2,4H/b4-3-",86.3676,66.82114,
7204,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1]#[C:2][C@:6]([O:5][C:4](=[O:3])[H:9])([O:7][H:8])[H:10],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c4-1-3(6)7-2-5/h2-3,6H/t3-/m0/s1",52.76738,-4.544630000000001,
7205,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1]1([H:8])[C:2](=[O:3])[C@:6]1([O:7][C:4](=[O:5])[H:9])[H:10],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c5-1-7-3-2(6)4-3/h1,3H,(H,4,6)/t3-/m1/s1",42.66493,22.28953,
7206,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1]1([H:8])[C@@:2]([O+:5]=[C-:4][H:9])([C:6](=[O:7])[H:10])[O:3]1,"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c1-6-3(2-5)4-7-3/h1-2,4H/t3-/m1/s1",148.48779,125.65915,
7207,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1]#[C:2][C:6](=[O:7])[H:10].[O:3]=[C:4]([O:5][H:8])[H:9],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C2HNO.CH2O2/c3-1-2-4;2-1-3/h2H;1H,(H,2,3)",26.769029999999997,5.4953199999999995,Retroene
7208,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1](=[C:2](\[O+:3]=[C-:4][O:5][H:9])[C:6](=[O:7])[H:10])\[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1,4,6H/b4-3-",77.54956,43.11772,
7209,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[H:8][H:11].[O:1]=[C:2]([C@:3]1([H:10])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])[H:9],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H6O2.H2/c6-3-4-1-2-5(4)7;/h3-4H,1-2H2;1H/t4-;/m0./s1",100.22569,16.966479999999997,
7210,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[H:9][H:14].[O:1](/[C:2](=[C:3](/[C:4]([C:5](=[C:6]=[O:7])[H:15])([H:12])[H:13])[H:11])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H6O2.H2/c6-4-2-1-3-5-7;/h2-4,6H,1H2;1H/b4-2+;",93.8599,27.869609999999998,
7211,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[O:7][H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c6-5-2-1-4(5)3-7-5/h4,6H,1-3H2/t4-,5-/m1/s1",52.90561999999999,15.76805,
7212,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[C-:6]#[O+:7].[O:1]([C:2]([C:3]([C:4](=[C:5]([H:14])[H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O.CO/c1-2-3-4-5;1-2/h2,5H,1,3-4H2;",85.17889,2.985,
7213,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1](/[C:2](=[C:3](\[C:4]([C:5]([C:6](=[O:7])[H:10])([H:14])[H:15])([H:12])[H:13])[H:11])[H:9])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h2,4-6H,1,3H2/b4-2-",67.04303,-0.24161,
7214,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:6]([C:5]([C:4][H:12])([H:14])[H:15])=[O:7])([H:11])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,6H,2-4H2",84.05516999999999,77.77802,
7215,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[C-:6]#[O+:7].[O:1]([C:2](/[C:3](=[C:4](/[C:5]([H:12])([H:14])[H:15])[H:13])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O.CO/c1-2-3-4-5;1-2/h2-3,5H,4H2,1H3;/b3-2+;",85.72275,1.48583,
7216,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:6]([C:5]([C:4]([C:3](=[C:2]([H:9])[H:10])[H:11])([H:12])[H:13])([H:14])[H:15])=[O:7])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)",55.64781,-22.94521,
7217,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[C:4]1([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7].[O:1]([C:2](=[C:3]([H:9])[H:11])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C3H4O.C2H4O/c4-3-1-2-3;1-2-3/h1-2H2;2-3H,1H2",86.8766,38.36742,
7218,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[C:3]1([H:11])=[C:4]([H:12])[C:5]([H:14])([H:15])[C:6]1=[O:7].[H:8][H:13].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C4H4O.CH2O.H2/c5-4-2-1-3-4;1-2;/h1-2H,3H2;1H2;1H",83.09748,49.17487,
7219,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:4]([C:5]([C:6]([C:3](=[C:2]([H:9])[H:10])[H:11])=[O:7])([H:14])[H:15])([H:12])[H:13])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h2,6H,1,3-4H2",94.58542,-0.6913100000000001,
7220,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3][C:4]([C:5]([C:6](=[O:7])[H:11])([H:14])[H:15])([H:12])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4,7H,1-2,5H2",79.63656,70.28577,
7221,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[C:3]1([H:9])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7].[O:1]([C:2][H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1",InChI=1S/C4H6O.CH2O/c5-4-2-1-3-4;1-2/h1-3H2;1-2H,80.00371,69.30098000000001,
7222,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:2]([C+:3]=[C:6]([C:5]([C:4]([H:11])([H:12])[H:13])([H:14])[H:15])[O-:7])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h6H,2,4H2,1H3",68.67992,62.61316,
7223,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[C:5](=[C:6]=[O:7])([H:14])[H:15].[O:1]([C:2]([C:3](=[C:4]([H:12])[H:13])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C3H6O.C2H2O/c1-2-3-4;1-2-3/h2,4H,1,3H2;1H2",56.56366,22.43468,
7224,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:15])=[C:6]1[O:7][H:14])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h2,4,6-7H,1,3H2/t4-/m1/s1",78.53719,14.747570000000001,ketoenol
7225,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[H:12][H:15].[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:13])=[C:5]([H:14])[C:6]1=[O:7])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H6O2.H2/c6-3-4-1-2-5(4)7;/h1-2,4,6H,3H2;1H/t4-;/m1./s1",96.65904,32.70697,
7226,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([C:5](=[C:6]=[O:7])[H:15])([H:12])[H:13])([H:11])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h2,7H,1,3,5H2",81.10718,2.47517,
7227,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[C:2](=[C:3]([C@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])[H:11])([H:9])[H:10].[O:1]([H:8])[H:12],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H6O.H2O/c1-2-4-3-5(4)6;/h2,4H,1,3H2;1H2/t4-;/m1./s1",102.52178,30.320729999999998,
7228,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13].[O:1]([C:2]([C@@:3]1([H:11])[C-:6]=[O+:7]1)([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C3H4O2.C2H4/c4-1-3-2-5-3;1-2/h3-4H,1H2;1-2H2/t3-;/m0./s1",110.98234,84.77294,
7229,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:6](=[C+:5][H:15])[O-:7])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c1-4(3-6)5(2)7/h2,4,6H,3H2,1H3/t4-/m1/s1",74.79813,70.67249,
7230,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[C:2](=[C:3]1[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10].[O:1]([H:8])[H:11],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1",InChI=1S/C5H6O.H2O/c1-4-2-3-5(4)6;/h1-3H2;1H2,58.543,9.49227,"1,3_Insertion_ROR"
7231,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c6-3-5(4-7)1-2-5/h3,7H,1-2,4H2",73.86118,4.92882,
7232,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:13])[C:3]([H:11])=[N:4][C:5](=[C:6]([H:12])[H:14])[C-:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4,7H,1H2,2H3",121.50248,86.40315,
7233,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[N:4][C:5](=[C:6]([H:12])[H:14])[C:7]1([H:13])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h4H,1,3H2,2H3",95.07099000000001,21.99202,
7234,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[N:2]=[C:7]([H:15])[C:5]([C:6]([H:12])([H:13])[H:14])=[N:4]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-4-3-6-5(2)7-4/h3,5H,1-2H3/t5-/m0/s1",59.80651999999999,8.117230000000001,
7235,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[N:4]1[C:5]([C:6]([H:12])([H:13])[H:14])=[C:7]1[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-7(5)4-6-2/h3-4H,1-2H3/b6-4+",108.7847,87.23673000000001,
7236,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([n+:2]1[c:3]([H:11])[n:4]([H:10])[c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4,6H,2H2,1H3",125.9171,56.09125,
7237,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:7]([H:15])[C@@:5]([C:6]([H:12])([H:13])[H:14])([H:10])[N:4]=[C:3]1[H:11])([H:8])[H:9],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-5H,2H2,1H3/t5-/m0/s1",110.45782,59.2529,
7238,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:7]1([H:15])[N:2]=[C:3]([H:11])[N:4]=[C:5]1[C:6]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-4-5(2)7-3-6-4/h3-4H,1-2H3/t4-/m1/s1",67.02113,8.00082,
7239,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([n:2]1[c:3]([H:11])[n+:4]([C:6]([H:12])([H:13])[H:14])[c-:5][c:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-6-3-4-7(2)5-6/h3,5H,1-2H3",115.23986000000001,54.156890000000004,
7240,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:11])[N:4]=[C:5]([C:6]([H:12])([H:13])[H:14])[C:7]1([H:10])[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h4H,2-3H2,1H3",97.833,55.21371,
7241,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[N+:4]=[C-:5][C@:7]1([C:6]([H:12])([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-4-7(5)2/h4-5H,1-2H3/t5-/m1/s1",93.24725,70.0122,
7242,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N+:2]1=[C:3]([H:11])[N:4]([H:13])[C:5](=[C:6]([H:12])[H:14])[C-:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4,6H,1H2,2H3",78.87047,50.27321,
7243,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:15])[C:3]([H:11])=[N:4][C:5]([C:6]([H:12])([H:13])[H:14])=[C-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h4,7H,1-2H3",90.20178,83.03465,
7244,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]([N:4]=[C:5]=[C:7]([C:6]([H:12])([H:13])[H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-3-4-7-5-6-2/h3,5H,1-2H3",93.31007,43.0339,
7245,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:7](/[C:5](=[N+:4]=[C-:3][H:11])[C:6]([H:12])([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5(7-3)4-6-2/h3-4H,1-2H3/b6-4+",69.55568000000001,65.14911,
7246,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1([H:10])[C:3]([H:11])=[N:4][C:5]([C:6]([H:12])([H:13])[H:14])=[C:7]1[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4,7H,2H2,1H3",98.70257,94.14202,
7247,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[N+:7]#[C-:6])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5(2,4-7)6-3/h7H,4H2,1-2H3",71.23071999999999,17.66155,
7248,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C@:6]([C:3]([H:11])([H:12])[H:13])([H:16])[O:5][C:4]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-4-3-7-5(2)6-4/h5H,3H2,1-2H3/t5-/m1/s1",111.10377,1.6545,
7249,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([H:14])[H:15])([H:8])([H:9])[H:10].[O:5]=[C:6]=[N:7][H:16],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C4H8.CHNO/c1-4(2)3;2-1-3/h1H2,2-3H3;2H",69.7368,-0.90917,
7250,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])(/[N:7]=[C:6](\[O+:5]=[C-:4][H:14])[H:16])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5(2)6-4-7-3/h3-5H,1-2H3/b6-4-",85.99324,80.42631999999999,
7251,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:7]1[C:6](=[O:5])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5(2)3-6(5)4-7/h4H,3H2,1-2H3",57.547340000000005,13.9653,ketoenol
7252,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[N+:7]([C:3]([H:11])([H:12])[H:13])[C-:6]([H:16])[O:5][C:4]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5-3-7-4-6(5)2/h4H,3H2,1-2H3",108.1491,60.34001,
7253,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[N+:7]=[C-:6][H:16])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:14])[H:15],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C4H7N.CH2O/c1-4(2)5-3;1-2/h3H,1-2H3;1H2",75.86374,65.95865,
7254,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2]([C:4]([C:3]([H:11])([H:12])[H:13])([H:14])[H:15])=[N:7]/[C:6](=[O:5])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-3-5(2)6-4-7/h4H,3H2,1-2H3/b6-5-",68.02816,0.19539,
7255,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@@:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:8])([H:14])[H:15])[N:7]=[C:6]1[H:16],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5(4-7)2-3-6-5/h3,7H,2,4H2,1H3/t5-/m0/s1",110.30463,28.708190000000002,
7256,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[H:14])[H:15])([H:8])([H:9])[H:10].[C:6](#[N:7])[H:16],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C4H8O.CHN/c1-4(2)3-5;1-2/h3-4H,1-2H3;1H",75.56618,14.107439999999999,
7257,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[H:14])[N:7]=[C:6]([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5(2,4-7)6-3/h4H,3H2,1-2H3",100.8707,17.50532,
7258,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O+:5]=[C-:6][N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h6H,3H2,1-2H3",68.12206,26.59005,
7259,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C-:4]=[O+:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H7NO.H2/c1-5(2)3-7-4-6-5;/h4H,1-2H3;1H",88.7851,70.43929,
7260,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:4]([O:5][C:6](=[N+:7]=[C-:2][C:3]([H:11])([H:12])[H:13])[H:16])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-3-6-5-7-4-2/h5H,4H2,1-2H3",137.41853,54.56214,
7261,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C-:4]([H:15])[O+:5]=[C:6]([H:16])[N:7]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h3-4,6H,1-2H3",81.9862,62.459030000000006,
7262,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]#[C:2][C:3]([N:4]=[C:5]=[C:6]([H:8])[H:9])=[N:7][H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c1-2-7-4(6)3-5/h6H,1H2",103.62807,42.42432,
7263,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]#[C:2][C:3]1=[N:4][C@:5]1(/[C:6](=[N:7]/[H:10])[H:9])[H:8],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-1-3-4(2-6)7-3/h1,3,5H/b5-1+/t3-/m0/s1",110.69586000000001,60.81117,
7264,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N-:1]=[C:2]=[C:3]1[N:4]([H:8])[C+:5]=[C:6]([H:9])[N:7]1[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1,6-7H",86.69237,49.85156,
7265,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N+:1](#[C-:2])[c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c1-5-4-6-2-3-7-4/h2-3H,(H,6,7)",55.93533000000001,21.28708,
7266,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]#[C:2][C@@:6]1([H:9])[C:5]([H:8])=[N+:4]=[C-:3][N:7]1[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2,4,7H/t4-/m0/s1",131.75002,62.29244,
7267,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N-:1]=[C:2]=[C:3]1[N+:4]#[C:5][C:6]([H:8])([H:9])[N:7]1[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h6H,1H2",80.51994,72.90074,Singlet_Carbene_Intra_Disproportionation
7268,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[C:5](#[C:6][H:9])[H:8].[N+:1](#[C-:2])[N:7]([C:3]#[N:4])[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)",InChI=1S/C2HN3.C2H2/c1-4-5-2-3;1-2/h5H;1-2H,194.85558999999998,119.81128999999999,
7269,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]#[C:2]/[C:3]([N:4]1[C:5]([H:8])=[C:6]1[H:9])=[N:7]\[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-3-4(6)7-1-2-7/h1-2,6H/b6-4+",112.75943999999998,91.49388,
7270,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]#[C:2][C:3]1=[N:7][C:6]([H:9])([H:10])[C:5]([H:8])=[N:4]1,"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1H,2H2",49.99843,19.57884,
7271,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]#[C:2][N:7]([C:6](=[C:5]([N+:4]#[C-:3])[H:8])[H:9])[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c1-6-2-3-7-4-5/h2-3,7H",99.80629,47.96591,
7272,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]#[C:2][C:3]1=[N:4][C:5]([H:8])=[C-:6][N+:7]1([H:9])[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1H,7H2",93.98306,85.57248,
7273,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]#[C:2][C:3]1([H:10])[N:4]=[C:5]([H:8])[C:6]([H:9])=[N:7]1,"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2,4H",52.90543,24.30256,
7274,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]#[C:2][C:3]1=[N:4][C:5]([H:8])([H:9])[C-:6]=[N+:7]1[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h7H,1H2",64.27164,52.701409999999996,Singlet_Carbene_Intra_Disproportionation
7275,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[H:8][H:9].[O:1]=[C:2]1[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c6-3-1-5-2-4(3)7;/h5H,1-2H2;1H",90.34325,24.176679999999998,
7276,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C@@:2]([C:3]([N:4]=[C:5]([H:13])[H:14])([H:10])[H:11])([C:6](=[O:7])[H:12])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c1-5-2-4(7)3-6/h3-4,7H,1-2H2/t4-/m0/s1",97.10311999999999,20.61891,
7277,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C:2]1=[C:6]([O-:7])[C:5]([H:13])([H:14])[N+:4]([H:9])([H:12])[C:3]1([H:10])[H:11])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h5-7H,1-2H2",56.34117,43.167429999999996,
7278,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[H:10][H:11].[O:1]([C@@:2]1([H:9])[C:3][N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c6-3-1-5-2-4(3)7;/h4-5,7H,1H2;1H/t4-;/m0./s1",79.99409,59.41378,
7279,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[H:11][H:13].[O:1]([C@@:2]1([H:9])[C+:3]([H:10])[N:4]([H:12])[C:5]([H:14])=[C:6]1[O-:7])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c6-3-1-5-2-4(3)7;/h1-3,5-6H;1H/t3-;/m0./s1",63.63621,45.904,
7280,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[C:5](=[C:6]=[O:7])([H:13])[H:14].[O:1](/[C:2](=[C:3](/[N:4]([H:10])[H:12])[H:11])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C2H5NO.C2H2O/c3-1-2-4;1-2-3/h1-2,4H,3H2;1H2/b2-1+;",113.28048999999999,28.55343,
7281,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([N+:4]1([H:12])[C:3]([H:10])([H:11])[C:2]([H:9])=[C:6]([O-:7])[C:5]1([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-4-1-2-5(7)3-4/h1,6-7H,2-3H2",111.05313999999998,71.04565,
7282,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[C-:6]#[O+:7].[N:4](=[C:5]([H:13])[H:14])[H:12].[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C2H4O.CH3N.CO/c1-2-3;2*1-2/h2-3H,1H2;2H,1H2;",76.12257,30.76575,
7283,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N+:4]([H:12])([H:14])[C:5]([H:13])=[C:6]1[O-:7])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h1,4-7H,2H2/t4-/m0/s1",61.76715,31.566679999999998,
7284,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[O:7][C:6]1=[C:5]([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-4(6)2-5-7-3/h4-6H,1-2H2/t4-/m0/s1",109.08362,46.52919,ketoenol
7285,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[H:12][H:13].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]=[C:5]([H:14])[C:6]1=[O:7])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c6-3-1-5-2-4(3)7;/h1,4,7H,2H2;1H/t4-;/m0./s1",105.7807,22.073439999999998,
7286,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[C@@:2]12([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:13])([H:14])[C:6]2=[O:7].[O:1]([H:8])[H:12],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H5NO.H2O/c6-4-2-5-1-3(4)5;/h3H,1-2H2;1H2/t3-,5?;/m0./s1",82.49081,39.46564,
7287,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C:2]1=[C:6]([O:7][H:9])[C:5]([H:13])([H:14])[N:4]([H:12])[C:3]1([H:10])[H:11])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h5-7H,1-2H2",72.80972,10.9171,ketoenol
7288,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]1[C@@:2]2([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-4-2-5-1-3(4)7-4/h3,5-6H,1-2H2/t3-,4+/m0/s1",54.518519999999995,17.07253,
7289,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]2[C:5]([H:13])([H:14])[C@:6]12[O:7][H:12])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-5-2-4(3,5)7/h3,6-7H,1-2H2/t3-,4-,5?/m0/s1",79.47451,38.43594,
7290,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([O:7][C:6]1=[C:2]([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]1([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-7-4-1-2-5-3-4/h1,5-6H,2-3H2",109.48624,70.77251,ketoenol
7291,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C:2]([C:6]([C:5]([N:4]([C:3][H:11])[H:12])([H:13])[H:14])=[O:7])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c1-5-2-4(7)3-6/h1,5-6H,2-3H2",75.47381,51.435759999999995,
7292,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]=[C:2]([C:6]1([O:7][H:8])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]1([H:13])[H:14])[H:9],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-3-4(7)1-5-2-4/h3,5,7H,1-2H2",52.9369,18.91209,
7293,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[H:11][H:12].[O:1]([C@@:2]1([H:9])[C:3]([H:10])=[N:4][C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c6-3-1-5-2-4(3)7;/h1,3,6H,2H2;1H/t3-;/m0./s1",101.13946,22.83278,
7294,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C@@:2]1([H:9])[C-:3]([H:10])[N+:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h1,3,6H,2,5H2/t3-/m0/s1",77.98331999999999,59.688140000000004,
7295,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C@:2]1([H:9])[N:4]([C:3]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c1-5-2-3(6)4(5)7/h4,7H,2H2,1H3/t4-/m0/s1",109.39408,18.25916,
7296,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:4][H:14])=[C:5]=[C:6]=[C:7]([H:13])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-3-5-6(7)4-2/h7H,1,4H2,2H3",58.75269,18.93478,
7297,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C-:3]=[O+:4][C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-3-5-7-6-4-2/h3H2,1-2H3",105.83445,79.18789,
7298,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O-:4])=[C+:5][C:6](=[C:7]([H:13])[H:15])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-3-5-6(7)4-2/h3H,1,4H2,2H3",75.08399,53.017790000000005,
7299,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[C:5](=[C:6]=[C:7]([H:13])[H:15])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-3-5-6(7)4-2/h5H,1,4H2,2H3",75.23114,-1.3789200000000001,
7300,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])[C:3](=[C:5]=[C:6]([C:7]([H:13])([H:14])[H:15])[H:11])[O:4]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-3-4-6-5(2)7-6/h3,5H,1-2H3/t4?,5-/m0/s1",92.61187,33.48135,
7301,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[C:3](=[O:4])[C@@:5]1([C:6][C:7]([H:13])([H:14])[H:15])[H:8],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-2-5-3-4-6(5)7/h5H,3-4H2,1H3/t5-/m1/s1",84.98725,64.64644,
7302,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[C:6](=[C:5])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-4-6(7)5(2)3/h4H2,1-2H3",51.624759999999995,48.95541,
7303,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:5])[C:6](=[O:4])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-4-5(2)6(3)7/h4H2,1,3H3",69.44798,49.05655,
7304,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C:3](#[O+:4])[C:5](=[C-:6][C:7]([H:13])([H:14])[H:15])[H:8],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C4H4O.C2H4/c1-2-3-4-5;1-2/h3H,1H3;1-2H2",78.76504,63.1409,
7305,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C@:2]12([H:11])[C:3](=[O:4])[C:5]1=[C:6]2[C:7]([H:13])([H:14])[H:15],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C5H4O.CH4/c1-2-3-4(2)5(3)6;/h3H,1H3;1H4/t3-;/m1./s1",91.80235,62.82731,
7306,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][C:7]([H:13])([H:14])[H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-3-4-6(2)5-7/h5-6H,1-2H3/t6-/m1/s1",86.90442,4.79079,
7307,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C:3](=[O:4])=[C:5]=[C:6]([C:7]([H:13])([H:14])[H:15])[H:8],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C4H4O.C2H4/c1-2-3-4-5;1-2/h2H,1H3;1-2H2",58.46591,31.88787,Retroene
7308,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:4][C:3](=[C:2]([H:11])[H:12])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-4-5-6(2)7-3/h2H2,1,3H3",99.60709,21.21294,ketoenol
7309,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[H:9][H:12].[O:1]([C:2](=[C:3]1[N-:4][N+:5]([H:11])=[C:6]=[N:7]1)[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H3N3O.H2/c7-1-3-4-2-5-6-3;/h1,5,7H;1H",152.30816000000002,89.08066,
7310,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3](/[N:7]=[C:6](\[N:5]([H:8])[H:11])[H:12])=[N:4]1,"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c4-2-5-3-1-7-6-3/h2H,1H2,(H2,4,5,6)",97.64308,49.43582,
7311,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1](/[C:2](=[C:3]1/[N:4]([H:9])[N:5]([H:11])[C:6]([H:12])=[N:7]1)[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h1-2,6-7H,(H,4,5)/b3-1+",86.82511,33.6048,
7312,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[N:7][C:6]([H:11])([H:12])[N:5]=[N:4]1)([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h7H,1-2H2",52.82725,29.34177,
7313,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[N:5](=[C:6]=[N:7][H:12])[H:11].[O:1]([C:2]([C:3]#[N:4])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C2H3NO.CH2N2/c3-1-2-4;2-1-3/h4H,2H2;2-3H",105.84831000000001,17.89569,
7314,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([N:4]=[C:3]=[N:7][C:6](=[N:5][H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c4-1-5-2-6-3-7/h1,4,7H,3H2",81.96032,19.97372,
7315,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[C:6](#[N:7])[H:12].[O:1]([C:2]([C:3]#[N+:4][N-:5][H:11])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C2H4N2O.CHN/c3-4-1-2-5;1-2/h3,5H,2H2;1H",89.3035,75.83915,
7316,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2](=[C:3]1[N-:4][N+:5]([H:9])([H:11])[C:6]([H:12])=[N:7]1)[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h1-2,7H,5H2",117.21571999999999,74.18746999999999,
7317,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c-:6][n+:7]1[H:12])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h4,7H,1H2,(H,5,6)",71.62680999999999,26.66672,
7318,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[N:7][N:4]1[N:5]([C:6][H:12])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c1-4-6-3(2-7)5-6/h1,4,7H,2H2",156.31679,124.94713,
7319,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([c:3]1[n:4]([H:11])[n:5][c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)",50.118320000000004,-0.54765,
7320,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([N+:7]1=[C:3]=[N:4][N:5]([H:11])[C-:6]1[H:12])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c7-3-6-1-4-5-2-6/h1,4,7H,3H2",104.04387,49.65,
7321,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1][C:2]([C:3]1=[N:7][C:6]([H:8])([H:12])[N:5]([H:11])[N:4]1)([H:9])[H:10],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h5H,1-2H2",114.90986000000001,91.19456,
7322,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[C+:2](=[C:3]1[N-:4][N:5]([H:11])[C:6]([H:12])=[N:7]1)[H:10].[O:1]([H:8])[H:9],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H3N3.H2O/c1-3-4-2-5-6-3;/h1-2H,(H,4,5);1H2",78.16396,86.22985,
7323,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([N:7]=[C:3]=[N:4][N:5]([C:6][H:12])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c1-4-6-2-5-3-7/h1,4,7H,3H2",141.50467,89.68555,
7324,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C+:2]([C:3]1=[N:4][N:5]([H:11])[C:6]([H:9])([H:12])[N-:7]1)[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h1,5,7H,2H2",117.20792,75.48691,
7325,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[N:4][N:5]([H:11])[H:12])[N+:7]#[C-:6])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c1-5-3(2-7)6-4/h7H,2,4H2",90.18952,45.11248,
7326,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[N:4][N:7]1/[C:6](=[N:5]/[H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c4-2-6-3(1-7)5-6/h2,4,7H,1H2/b4-2+",93.93290999999999,74.24956999999999,
7327,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([C@@:3]1([H:10])[C-:2]=[N+:7]([H:11])[C:5](=[O:6])[O:4]1)([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c4-2-1-5-3(6)7-2/h2,5H,4H2/t2-/m1/s1",67.05918,34.386179999999996,
7328,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1](=[C:2]1/[C:3]([H:9])([H:10])[O:4][C:5](=[O:6])[N:7]1[H:11])\[H:8],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H2,(H2,4,5,6)",63.93906,-9.728019999999999,
7329,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([C@:2]([C:3](=[O:4])[H:10])([N:7]=[C:5]=[O:6])[H:11])([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c4-3(1-6)5-2-7/h1,3H,4H2/t3-/m0/s1",68.98559,9.317110000000001,
7330,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N-:1]([C:2]1=[C:3]([H:10])[O:4][C:5](=[O:6])[N+:7]1([H:8])[H:11])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H3N2O2/c4-2-1-7-3(6)5-2/h1,4H,(H,5,6)/q-1/p+1",78.28634,57.99749,
7331,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([c:2]1[c-:3][o+:4][c:5]([O:6][H:10])[n:7]1[H:11])([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h5-6H,4H2",138.02812,61.726659999999995,
7332,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N+:1]1([H:8])([H:9])[C@:2]2([C-:3]1[H:10])[O:4][C:5](=[O:6])[N:7]2[H:11],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c6-2-5-3(7-2)1-4-3/h1H,4H2,(H,5,6)/t3-/m0/s1",93.57321,79.7554,
7333,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1](/[C:2]([C:3](=[O:4])[H:10])=[N:7]/[C:5](=[O:6])[H:11])([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c4-3(1-6)5-2-7/h1-2H,(H2,4,5,7)",75.28373,18.07875,
7334,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([C:2]/[C:3](=[N:7]\[H:11])[H:10])([H:8])[H:9].[O:4]=[C:5]=[O:6],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C2H4N2.CO2/c3-1-2-4;2-1-3/h1,3H,4H2;/b3-1-;",116.86371000000001,39.76766,
7335,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([c:2]1[c:3]([H:10])[o:4][c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)",52.5907,6.515969999999999,ketoenol
7336,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C-:3]=[O+:4][C:5](=[O:6])[N:7]1[H:11])([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h2H,4H2,(H,5,6)/t2-/m1/s1",58.805080000000004,49.00346,Singlet_Carbene_Intra_Disproportionation
7337,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N+:1]([c:2]1[c:3]([H:10])[o:4][c+:5]([O-:6])[n-:7]1)([H:8])([H:9])[H:11],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H3N2O2/c4-2-1-7-3(6)5-2/h1H,4H2/q-1/p+1",57.28409,46.28295,
7338,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N+:1]([c:2]1[c-:3][o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H3N2O2/c4-2-1-7-3(6)5-2/h4H2,(H,5,6)/q-1/p+1",82.77155,74.53957,
7339,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[N:7]1[H:11])([H:8])[H:9].[O:4]=[C:5]=[O:6],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C2H4N2.CO2/c3-2-1-4-2;2-1-3/h1,4H,3H2;",73.38580999999999,57.639430000000004,
7340,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([C:2]([C@@:3]1([H:10])[O:4][C:5]1=[O:6])=[N:7][H:11])([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c4-2(5)1-3(6)7-1/h1H,(H3,4,5)/t1-/m1/s1",66.62371999999999,32.64911,
7341,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[C:5](=[O:6])=[N:7][H:11].[N:1]([C+:2]=[C:3]([O-:4])[H:10])([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C2H3NO.CHNO/c3-1-2-4;2-1-3/h2H,3H2;2H",61.01756999999999,53.0952,
7342,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[C-:5]#[O+:6].[N:1]([C+:2]([C:3](=[O:4])[H:10])[N-:7][H:11])([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C2H4N2O.CO/c3-2(4)1-5;1-2/h1,3H,4H2;",65.50004,24.74125,
7343,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]=[C:2]1[C:3]([H:8])([H:9])[N+:4]2([C:5]([H:10])([H:11])[C-:6]2[H:12])[C:7]1([H:13])[H:14],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c7-5-3-6(4-5)1-2-6/h1H,2-4H2",88.58312,58.15132,
7344,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]1[C@@:2]23[C:3]([H:8])([H:9])[N:4]2[C@@:7]3([H:14])[C:6]([H:12])([H:13])[C:5]1([H:10])[H:11],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c1-2-7-5-3-6(5)4(1)5/h4H,1-3H2/t4-,5+,6?/m0/s1",88.90648,17.03661,
7345,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[C-:3]([N+:4]1=[C:7]([H:14])[C:6]([H:12])([H:13])[C:5]1([H:10])[H:11])([H:8])[H:9].[O+:1]#[C-:2],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C4H7N.CO/c1-5-3-2-4-5;1-2/h3H,1-2,4H2;",38.53747,23.878829999999997,
7346,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[N:4]1=[C:7]([H:14])[C:6]([H:12])([H:13])[C:5]1([H:10])[H:11].[O:1]=[C:2]=[C:3]([H:8])[H:9],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C3H5N.C2H2O/c1-2-4-3-1;1-2-3/h2H,1,3H2;1H2",54.34851999999999,6.84599,
7347,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]([C:2]1=[C:7]2[N:4]([C:3]1([H:8])[H:9])[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13])[H:14],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h7H,1-3H2",87.92509,34.94492,ketoenol
7348,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]=[C:2]1[C:3]([H:8])([H:9])[N+:4]2([H:12])[C:5]([H:10])([H:11])[C-:6]([H:13])[C@@:7]12[H:14],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H6NO/c7-5-3-6-2-1-4(5)6/h1,4H,2-3H2/q-1/p+1/t4-/m0/s1",105.87602,101.29202,
7349,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O-:1][C:2]1=[C:3]([H:9])[N+:4]2([H:8])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h3-4,7H,1-2H2/t4-/m0/s1",57.350069999999995,22.308239999999998,
7350,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]=[C:2]=[C:7]([C:6]([C:5]([N:4]=[C:3]([H:8])[H:9])([H:10])[H:11])([H:12])[H:13])[H:14],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c1-6-4-2-3-5-7/h3H,1-2,4H2",39.3304,-14.10401,
7351,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]([H:13])=[C:7]1[H:14])([H:8])[H:9])[H:12],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c7-5-4-6-2-1-3-6/h1-2,5H,3-4H2",78.16105,6.184830000000001,
7352,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]1[C@@:2]23[C:3]([H:8])([H:9])[N+:4]2([C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[C-:7]3[H:14],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c1-2-7-5-3-6(1,5)4-5/h3H,1-2,4H2/t5-,6?/m0/s1",114.59201999999999,72.52682,
7353,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]=[C:2]([C@@:7]1([H:14])[N+:4]([C-:3]([H:8])[H:9])=[C:5]([H:11])[C:6]1([H:12])[H:13])[H:10],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c1-6-3-2-5(6)4-7/h3-5H,1-2H2/t5-/m0/s1",59.87438,26.35047,
7354,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]([C-:2]1[C:3]([H:8])([H:9])[N+:4]2=[C:5]([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])[H:10],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h2,4,7H,1,3H2/t4-/m0/s1",82.54209,78.66256,
7355,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[C:7][H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-6(2-3-6)4-5-7/h1,5H,2-4H2",56.011030000000005,41.39888,
7356,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@:5]([O:6][H:15])([H:14])[C:7]2,"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c7-5-3-6(4-5)1-2-6/h5,7H,1-3H2/t5-/m1/s1",63.32107,49.5038,
7357,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])=[C:3]([C:4]([C@@:5]2([H:14])[O+:6]=[C-:7]2)([H:12])[H:13])[C:2]1([H:10])[H:11].[H:9][H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H6O.H2/c1-2-5(1)3-6-4-7-6;/h1,6H,2-3H2;1H/t6-;/m1./s1",119.58658,81.2,
7358,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[O:6][C@@:7]2([C:5][H:14])[H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-5-6(2-3-6)4-7-5/h1,5H,2-4H2/t5-/m1/s1",109.4777,70.91663,
7359,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]([C:7][H:15])([H:14])[O:6]2,"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-5-4-6(7-5)2-3-6/h1,5H,2-4H2/t5-/m0/s1",106.83521999999999,68.10056999999999,
7360,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@:7]2([O+:6]=[C-:5][H:14])[H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-7-5-4-6(5)2-3-6/h1,5H,2-4H2/t5-/m1/s1",82.76485,53.60726,
7361,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3]1[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C4H4O.C2H4/c1-2-4-3(1)5-4;1-2/h3-4H,1H2;1-2H2/t3-,4+;/m1./s1",77.6708,71.04449,
7362,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C-:5]=[O+:6][C:7]2([H:14])[H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-2-6(1)3-4-7-5-6/h1-3,5H2",59.92616999999999,10.992,
7363,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C-:5]([H:14])[O+:6]=[C:7]2[H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-2-6(1)3-4-7-5-6/h4-5H,1-3H2",52.10978,26.660059999999998,
7364,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1](=[C:3]1[C:4]([H:12])([H:13])[C@:5]2([H:14])[C:2]([H:10])([H:11])[C@@:7]1([H:15])[O:6]2)([H:8])[H:9],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-4-2-5-3-6(4)7-5/h5-6H,1-3H2/t5-,6-/m1/s1",103.49807,-19.51896,
7365,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:7]1([H:15])[C@:5]([C:4][H:12])([H:14])[O:6]1)[H:13],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-4-6(7-4)5-2-3-5/h1,4-6H,2-3H2/t4-,6-/m1/s1",81.31765,65.33785,
7366,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5][C@:7]2([O:6][H:14])[H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c7-5-1-2-6(5)3-4-6/h5,7H,2-4H2/t5-/m1/s1",65.92044,61.619369999999996,
7367,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])=[C:3]([C:7]([O:6][C:5](=[C:4]([H:12])[H:13])[H:14])([H:9])[H:15])[C:2]1([H:10])[H:11],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-2-7-5-6-3-4-6/h2-3H,1,4-5H2",113.03773999999999,12.96062,
7368,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O+:6]=[C-:7]2,"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1",InChI=1S/C6H8O/c1-2-6(1)3-4-7-5-6/h1-4H2,58.689009999999996,6.27351,
7369,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:7]2([C:5](=[O:6])[H:14])[H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c7-4-5-3-6(5)1-2-6/h4-5H,1-3H2/t5-/m1/s1",50.47463,-20.31447,
7370,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:7]1(/[N:6]=[C:5](\[O+:4]=[C-:3][H:12])[H:13])[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-7-4-6-5-2-3-5/h1,4-5H,2-3H2/b6-4-",91.00486,76.31381999999999,
7371,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:14])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N+:6]=[C-:7]1,"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-2-4-7-5-6-3-1/h5H,1-2,4H2",62.538959999999996,42.248979999999996,
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7373,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C:2]([H:10])=[C:3]([H:11])[O:4][C:5]([H:12])([H:13])[N:6]=[C:7]1[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-2-4-7-5-6-3-1/h2-4H,1,5H2",62.244569999999996,3.89736,
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7375,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C-:1]1([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O+:4]=[C:5]([H:13])[N:6]([H:8])[C@@:7]12[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h1,3-6H,2H2/t4-,5-/m0/s1",85.39609,68.98291,
7376,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@:5]2([H:13])[O:4][C:3]([H:11])([H:12])[C:2]([H:10])=[C:7]([H:14])[N:6]12,"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-2-6-4-5(6)7-3-1/h1-2,5H,3-4H2/t5-,6?/m0/s1",99.79155,19.68313,
7377,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C@@:5]2([H:13])[N:6]=[C:7]1[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-2-6-5-4(1)3-7-5/h2,4-5H,1,3H2/t4-,5+/m0/s1",84.99146999999999,2.1617,
7378,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([H:13])[N:6]=[C:7]2[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-6-5(1)7-3-4/h2,4-5H,1,3H2/t4-,5+/m1/s1",61.27543000000001,-2.20037,
7379,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14].[C:3]([H:11])[H:12],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C4H5NO.CH2/c1-3-4(1)6-2-5-3;/h2-4H,1H2;1H2/t3-,4+;/m0./s1",134.81618,112.62165,
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7382,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]([C@@:7]1([H:14])[C:2][C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-5-2-3-7-4-6-5/h4-5H,3H2,1H3/t5-/m0/s1",65.18157,60.4556,
7383,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O+:4]=[C:5]([H:13])[N:6]([H:14])[C-:7]12,"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-4,6H,1-2H2/t4-/m0/s1",81.97531,53.58804,
7384,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C-:3]([H:12])[O+:4]=[C:5]([H:13])[N:6]([H:11])[C@@:7]12[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h2-6H,1H2/t4-,5-/m0/s1",74.30114,57.235490000000006,
7385,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@:2]([C:3]([O:4][H:13])([H:11])[H:12])([H:10])[C@:7]1([N+:6]#[C-:5])[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-6-5-2-4(5)3-7/h4-5,7H,2-3H2/t4-,5-/m0/s1",69.74271999999999,17.92173,
7386,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@:2]([C:3](=[O:4])[H:12])([H:10])[C@:7]1([N:6]=[C:5]([H:11])[H:13])[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-6-5-2-4(5)3-7/h3-5H,1-2H2/t4-,5-/m0/s1",86.29101999999999,11.57756,
7387,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C:2]([H:10])=[C:7]1[H:14].[C:3](=[O:4])([H:11])[H:12].[C:5](#[N:6])[H:13],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C3H4.CHN.CH2O/c1-2-3-1;2*1-2/h1-2H,3H2;1H;1H2",94.68658,66.00466,
7388,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C:2][C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C:7]1([H:10])[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-2-4-7-5-6-3-1/h5H,1,3-4H2",67.84921,67.12321999999999,
7389,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N+:6]=[C-:7]1)([H:8])([H:9])[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-5-2-6-4-7-3-5/h4-5H,3H2,1H3/t5-/m1/s1",67.32686,47.41872,
7390,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[N:6]=[C:7]1[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-2-4-5(7-4)6-3-1/h3-5H,1-2H2/t4-,5-/m1/s1",81.69528000000001,1.20286,
7391,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C@@:7]12[H:14].[C:5](#[N:6])[H:13],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C4H6O.CHN/c1-3-2-5-4(1)3;1-2/h3-4H,1-2H2;1H/t3-,4-;/m0./s1",114.09736000000001,38.68177,
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7393,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1](=[C:2]([C:3]([O:4][C:5](=[N+:6]=[C-:7][H:14])[H:13])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-3-4-7-5-6-2/h2-3,5H,1,4H2",65.18326,53.423840000000006,
7394,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])(/[C:7](=[N:6]\[C:5](=[O:4])[H:13])[H:14])([H:8])[H:9],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h2,4-5H,1,3H2/b6-4-",33.84178,-2.38665,
7395,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@:3]1([H:11])[O:4][C:5]([H:13])=[N:6][C:7]2([H:12])[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-6-3-7-5(1)4/h3-5H,1-2H2/t4-,5-/m1/s1",105.68943,0.9487,
7396,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C:2]([H:10])=[C:7]([H:14])[N:6]=[C:5]([H:13])[O:4][C:3]1([H:11])[H:12],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-2-4-7-5-6-3-1/h1,3,5H,2,4H2",82.64921,-6.03613,
7397,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@:6]([C:5]([C:4]([O:3][H:17])([H:12])[H:13])([H:14])[H:15])([H:16])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-4-5(7-4)2-3-6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1",74.26697,16.83985,
7398,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2][H:11])([H:8])([H:9])[H:10].[O:3]1[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C3H6O2.C2H4/c4-3-1-2-5-3;1-2/h3-4H,1-2H2;1H,2H3/t3-;/m0./s1",122.23794,112.06513999999999,
7399,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O+:3]=[C-:4][H:12])([C@@:6]([C:5]([H:13])([H:14])[H:15])([O:7][H:17])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-4(6)5(2)7-3/h3-6H,1-2H3/t4-,5-/m1/s1",83.16308000000001,58.8805,
7400,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4]([C:5]([O:7][H:17])([H:14])[H:15])([H:12])[H:13])([C:6][H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-5(2)7-4-3-6/h1,5-6H,3-4H2,2H3/t5-/m0/s1",119.13296000000001,96.80393000000001,
7401,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:6]([C:5]([C:4][H:13])([H:14])[H:15])([O:7][H:17])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-3-5(7)4(2)6/h1,4-7H,3H2,2H3/t4-,5-/m1/s1",79.82763,76.57236,
7402,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[O+:3][C-:4]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:17])[H:16])([H:14])[H:15],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-3-4-2;1-2-3/h3H,2H2,1H3;2-3H,1H2",110.7837,86.88736999999999,
7403,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4](=[C:5]([H:14])[H:15])[H:13])([C:6](=[O:7])[H:16])[H:11])([H:8])([H:9])[H:10].[H:12][H:17],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-3-7-5(2)4-6;/h3-5H,1H2,2H3;1H/t5-;/m1./s1",75.44665,35.74908,
7404,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([O:7][H:17])([H:8])([H:9])[H:10].[C:2]1([H:11])=[C:6]([H:16])[C:5]([H:14])([H:15])[C:4]([H:12])([H:13])[O:3]1,"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H6O.CH4O/c1-2-4-5-3-1;1-2/h1,3H,2,4H2;2H,1H3",115.14386,25.86593,"1,3_Insertion_ROR"
7405,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:6](=[C:5]([H:14])[H:15])[O:7][H:17])([H:11])[H:16])([H:8])([H:9])[H:10].[O:3]=[C:4]([H:12])[H:13],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-3-4(2)5;1-2/h5H,2-3H2,1H3;1H2",82.16563000000001,22.51426,
7406,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]1[O:7][H:17])([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-4-5(6)2-3-7-4;/h2,4,6H,3H2,1H3;1H/t4-;/m1./s1",127.04426000000001,26.48374,
7407,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:6](\[O:7][H:17])[H:16])[H:11])([H:8])([H:9])[H:10].[O:3]=[C:4]([C:5]([H:13])([H:14])[H:15])[H:12],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h2-4H,1H3;2H,1H3/b3-2-;",91.51517,15.414370000000002,
7408,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-4-5(6)2-3-7-4;/h4H,2-3H2,1H3;1H/t4-;/m1./s1",83.59085999999999,14.233189999999999,
7409,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2]1([H:11])=[O+:3][C-:4]([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H6O2.CH4/c5-4-1-2-6-3-4;/h2-5H,1H2;1H4/t4-;/m1./s1",96.17656,69.87396,
7410,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4]([C:5]([H:14])([H:15])[H:16])([H:12])[H:13])([C:6][O:7][H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h5-6H,3H2,1-2H3/t5-/m1/s1",79.0759,56.29169,
7411,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4]([C:5]([H:14])([H:15])[H:17])([H:12])[H:13])([C:6](=[O:7])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1",81.87532,9.33042,
7412,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:12])[H:13],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h2,4H,1,3H2;2H,1H3",93.00458,22.006439999999998,
7413,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:7]1([H:19])[C@@:2]2([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]21[H:18])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C7H12/c1-4-3-6-5(2)7(4)6/h4-7H,3H2,1-2H3/t4-,5+,6-,7+/m1/s1",93.61284,29.483970000000003,
7414,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2]1([H:11])=[C:3]([H:12])[C:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C6H8.CH4/c1-6-4-2-3-5-6;/h2-6H,1H3;1H4",97.57323000000001,14.152579999999999,
7415,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:7]1(/[C:6](=[C:4](/[C:5]([H:15])([H:16])[H:17])[H:14])[H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C7H12/c1-3-4-7-5-6(7)2/h3-4,6-7H,5H2,1-2H3/b4-3+/t6-,7+/m0/s1",83.24758,20.27668,
7416,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]#[C:7]1)([H:8])([H:9])[H:10].[H:18][H:19],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C7H10.H2/c1-6-3-4-7(2)5-6;/h6-7H,5H2,1-2H3;1H/t6-,7+;",120.50173000000001,106.999,
7417,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:6]([H:18])[C@:7]1([C:5]([H:15])([H:16])[H:17])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C7H12/c1-6-4-3-5-7(6)2/h3-4,6-7H,5H2,1-2H3/t6-,7+/m1/s1",125.27875,1.22424,
7418,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:12])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:9])([H:10])[H:11].[H:8][H:13],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C7H10.H2/c1-6-3-4-7(2)5-6;/h3-6H,1-2H3;1H/t6-;/m0./s1",111.79171000000001,22.95583,
7419,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:18])([C:7](=[C:6]=[C:4]([C:5]([H:15])([H:16])[H:17])[H:14])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C7H12/c1-4-5-6-7(2)3/h4,6-7H,1-3H3",130.45039,23.587,
7420,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([C:5]([H:15])([H:16])[H:17])=[C:6]([H:18])[C:7]1([H:14])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3,7H,4-5H2,1-2H3/t7-/m1/s1",84.81278,-2.81525,
7421,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])([H:19])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h6-7H,3,5H2,1-2H3/t6-,7+/m0/s1",67.26637,66.08253,Singlet_Carbene_Intra_Disproportionation
7422,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:17].[C:2]1([H:11])=[C:7]([H:19])[C@@:6]2([H:18])[C@@:4]([H:14])([C:3]1([H:12])[H:13])[C:5]2([H:15])[H:16],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C6H8.CH4/c1-2-5-4-6(5)3-1;/h1-2,5-6H,3-4H2;1H4/t5-,6+;/m1./s1",109.04766000000001,23.87765,
7423,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C-:2]1=[C:7]([H:19])[C+:6]([H:18])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:3]1([H:12])[H:13].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C6H8.CH4/c1-6-4-2-3-5-6;/h2,4,6H,5H2,1H3;1H4/t6-;/m0./s1",87.82857,77.93211,
7424,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C:5]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10].[C:2]1([H:11])=[C:7]([H:19])[C:6]([H:18])=[C:4]([H:14])[C:3]1([H:12])[H:13],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C5H6.C2H6/c1-2-4-5-3-1;1-2/h1-4H,5H2;1-2H3",133.05046000000002,16.335810000000002,
7425,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:13])[C:4]([H:14])([H:15])[C@:5]([C:6]([H:12])([H:17])[H:18])([H:16])[C@@:7]12[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-4-3-6-5(2)7(4)6/h4-7H,3H2,1-2H3/t4-,5+,6-,7+/m1/s1",97.90111,1.04415,
7426,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]1([C@@:7]1([H:19])[C@:5]([C:4]([H:8])([H:14])[H:15])([H:16])[C:6]1([H:17])[H:18])[H:13],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-5-4-7(5)6-2-3-6/h5-7H,2-4H2,1H3/t5-,7+/m0/s1",97.2727,0.29868,
7427,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@@:3]2([H:13])[C:4]([H:14])([H:15])[C@@:5]3([H:16])[C@:6]1([H:18])[C@@:7]23[H:19])([H:8])([H:9])[H:10].[H:12][H:17],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H10.H2/c1-3-4-2-5-6(3)7(4)5;/h3-7H,2H2,1H3;1H/t3-,4-,5+,6-,7+;/m1./s1",155.45265,36.127790000000005,
7428,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:19])[C:6]([H:17])([H:18])[C:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h7H,2-5H2,1H3/t7-/m0/s1",62.349630000000005,39.25475,
7429,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]([C:6][H:17])([H:16])[C:7]1([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-7-4-6(2)5-7/h2,6-7H,3-5H2,1H3/t6-,7+",65.13983,65.0201,
7430,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5](=[C:6]([H:17])[H:18])[H:16])([H:14])[H:15])=[C:7]([H:13])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-4-6-7(3)5-2/h4H,1,3,5-6H2,2H3",105.01395,-11.59656,
7431,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4][H:15])([C:7]1([H:19])[C:5]([H:14])([H:16])[C:6]1([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-6(2)7-4-5-7/h2,6-7H,3-5H2,1H3/t6-/m1/s1",82.42938000000001,74.556,
7432,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C@@:7]1([H:19])[C:5][C:6]1([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-6(2)7-4-5-7/h6-7H,3-4H2,1-2H3/t6-,7-/m1/s1",78.14198,66.38823000000001,
7433,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C@@:5]1([H:16])[C:6]([H:17])([H:18])[C:7]1)([H:14])[H:15])([H:13])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-2-3-4-7-5-6-7/h7H,2-5H2,1H3/t7-/m0/s1",78.84399,69.50039,
7434,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:18].[C:2](=[C:3]([C:4]([C:5]1([H:16])[C:6]([H:17])=[C:7]1[H:19])([H:14])[H:15])[H:13])([H:11])[H:12],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C6H8.CH4/c1-2-3-6-4-5-6;/h2,4-6H,1,3H2;1H4",117.44566,38.92342,
7435,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5][C:6]([H:17])([H:18])[C:7]1([H:16])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h7H,2-3,5-6H2,1H3/t7-/m1/s1",61.16041,40.42398,
7436,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]([C:6]([H:17])([H:18])[H:19])([H:16])[C:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-7-4-6(2)5-7/h6-7H,3-4H2,1-2H3/t6-,7+/m1/s1",66.60299,54.92875,
7437,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:7]1([C:6]([C:5][H:16])([H:17])[H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-6-5-7(6)4-2/h1,6-7H,3-5H2,2H3/t6-,7+/m1/s1",75.9453,75.63094,
7438,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10].[C:3]1[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C5H6.C2H6/c1-2-5-3-4(1)5;1-2/h4-5H,1,3H2;1-2H3/t4-,5+;/m0./s1",89.10117,71.51926999999999,
7439,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C@:7]1([C:6][H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-7-5-4-6(7)2/h2,6-7H,3-5H2,1H3/t6-,7+/m1/s1",66.20128000000001,66.19248,
7440,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@@:7]1([H:19])[C@:5]([C:4][H:15])([H:16])[C:6]1([H:17])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-4-7-5-6(7)2/h2,6-7H,3-5H2,1H3/t6-,7+/m0/s1",81.17130999999999,63.563280000000006,
7441,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5][C@:7]1([C:6]([H:16])([H:17])[H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-7-5-4-6(7)2/h6-7H,3,5H2,1-2H3/t6-,7+/m1/s1",66.89593,63.30905,
7442,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:7]([C:6]([C:5](=[C:4]([H:14])[H:15])[H:16])([H:17])[H:18])([H:12])[H:19])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-4,6H,1,5,7H2,2H3/b6-4+",88.42433,-11.362919999999999,
7443,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C:3]1([H:13])=[C:7]([H:19])[C@@:5]([C:6]([H:8])([H:17])[H:18])([H:16])[C:4]1([H:14])[H:15],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C5H8.C2H4/c1-5-3-2-4-5;1-2/h2-3,5H,4H2,1H3;1-2H2/t5-;/m0./s1",92.06763000000001,19.939,
7444,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][C:4]([C:5]1([H:16])[C:6]([H:17])([H:18])[C:7]1([H:13])[H:19])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-2-3-4-7-5-6-7/h7H,2,4-6H2,1H3",84.27897,62.17035,
7445,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][C@@:7]1([H:19])[C@:5]([C:4]([H:13])([H:14])[H:15])([H:16])[C:6]1([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-4-7-5-6(7)2/h6-7H,3,5H2,1-2H3/t6-,7+/m0/s1",77.30908000000001,60.89221,
7446,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:18])[C:6]([H:17])=[C:7]1[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h3,5,7H,2,4,6H2,1H3/t7-/m1/s1",65.48569,-26.87234,
7447,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[C:6](#[C:7][H:12])[H:11].[O:1]([C:2]([C:3]#[N+:4][O-:5])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C2H3NO2.C2H2/c4-2-1-3-5;1-2/h4H,2H2;1-2H",97.34772,77.549,
7448,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[C+:7][C:6]([H:11])([H:12])[O:5][N-:4]1)([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h6H,2-3H2",75.92922,76.03728000000001,Singlet_Carbene_Intra_Disproportionation
7449,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C@:7]([C:3]#[N:4])([C:6](=[O:5])[H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c5-1-4(2-6)3-7/h2,4,7H,3H2/t4-/m1/s1",55.219609999999996,-19.11485,
7450,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([N:4]=[O:5])=[C:7]=[C:6]([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c1-2-4(3-6)5-7/h6H,1,3H2",75.91093000000001,56.31289,
7451,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([N:4]=[C:3]=[C:7]([C:6](=[O:5])[H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c6-3-1-2-5-4-7/h1,3,7H,4H2",55.21895,-0.68062,
7452,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1](/[N:4]=[C:3]1\[C:2]([H:9])([H:10])[C@@:7]1([C:6](=[O:5])[H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c6-2-3-1-4(3)5-7/h2-3,7H,1H2/b5-4+/t3-/m1/s1",99.21001,38.32995,
7453,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[C+:2](=[C:3]1[N-:4][O:5][C:6]([H:11])=[C:7]1[H:12])[H:10].[O:1]([H:8])[H:9],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2",InChI=1S/C4H3NO.H2O/c1-4-2-3-6-5-4;/h1-3H;1H2,75.80449,88.50856,
7454,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[C:2]([H:9])[H:10].[O:1]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C3H3NO2.CH2/c5-3-1-2-6-4-3;/h1-2H,(H,4,5);1H2",108.20956000000001,105.69932,
7455,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C:7]1[N-:4][O+:5]=[C:6]1[H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c6-2-1-4-3-7-5-4/h1,3,6H,2H2",157.02816,85.29108000000001,
7456,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[N:4][C@:7]1([C:6](=[O:5])[H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c6-1-3-4(2-7)5-3/h1,3,7H,2H2/t3-/m0/s1",63.67442,16.14396,ketoenol
7457,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[H:9][H:12].[O:1]([C+:2]([C:3]1=[C:7]=[C:6]([H:11])[O:5][N-:4]1)[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H3NO2.H2/c6-3-4-1-2-7-5-4;/h2-3,6H;1H",113.02038,97.16808,
7458,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[C:7]=[C:6]([H:11])[O:5][N:4]1[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h2,5-6H,3H2",97.55006,57.43213000000001,
7459,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1([N:4]=[O:5])[C:6]([H:11])=[C:7]1[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c6-3-4(5-7)1-2-4/h1-2,6H,3H2",108.51276999999999,71.69643,ketoenol
7460,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[C-:5]#[O+:6].[N:1]([C+:2](/[C:3](=[N:4]/[H:11])[H:10])[N-:7][H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C2H5N3.CO/c3-1-2(4)5;1-2/h1,3-4H,5H2;/b3-1+;",71.72476999999999,25.915779999999998,
7461,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1](=[C:2]=[C:3]([N:4]([C:5](=[O:6])[N:7]([H:8])[H:12])[H:11])[H:10])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-1-2-6-3(5)7/h2,4H,(H3,5,6,7)",73.9508,23.839270000000003,
7462,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([O:6][H:11])[n:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)",50.806000000000004,8.18024,ketoenol
7463,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]1=[C-:3][N+:4]([H:10])([H:11])[C:5](=[O:6])[N:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h4-5H2,(H,6,7)",85.27192,70.24188000000001,
7464,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C@@:2]12[C@@:3]([H:10])([N:4]([H:11])[C:5][N:7]1[H:12])[O:6]2)([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-3-2(7-3)5-1-6-3/h2,5-6H,4H2/t2-,3-/m0/s1",142.00901000000002,66.60866999999999,
7465,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N-:1]([C:2]1=[C:3]([H:10])[N:4]([H:11])[C:5](=[O:6])[N+:7]1([H:9])[H:12])[H:8],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H4N3O/c4-2-1-5-3(7)6-2/h1,4H,(H2,5,6,7)/q-1/p+1",76.42245,55.17977,
7466,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:3](=[C:2]=[N:7][H:12])[H:10])([H:8])[H:9].[N:4](=[C:5]=[O:6])[H:11],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C2H4N2.CHNO/c3-1-2-4;2-1-3/h1,4H,3H2;2H",105.17712,44.13201,
7467,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N+:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O-:6])[n:7]1)([H:8])([H:9])[H:12],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)",57.56329,46.54233,
7468,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C@:2]1([H:10])[C-:3]=[N+:4]([H:11])[C:5](=[O:6])[N:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h2,5H,4H2,(H,6,7)/t2-/m0/s1",53.00399,38.76238,Singlet_Carbene_Intra_Disproportionation
7469,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]([C@:3]1([H:10])[N:4]([H:11])[C:5]1=[O:6])=[N:7][H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2(5)1-3(7)6-1/h1H,(H3,4,5)(H,6,7)/t1-/m0/s1",72.19270999999999,39.73032,
7470,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)",49.56438,5.86615,ketoenol
7471,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2](/[C:3](=[N:4]/[H:11])[H:10])=[N:7]/[C:5](=[O:6])[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-1-3(5)6-2-7/h1-2,4H,(H2,5,6,7)/b4-1+",72.28443,20.22005,
7472,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[C:5](=[O:6])=[N:7][H:12].[N:1]([C:2]/[C:3](=[N:4]/[H:11])[H:10])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C2H4N2.CHNO/c3-1-2-4;2-1-3/h1,3H,4H2;2H/b3-1+;",76.58109,65.8441,
7473,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]([C:5]([N+:4](=[C-:3][H:10])[H:11])=[O:6])=[N:7][H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c1-6-3(7)2(4)5/h1,6H,(H3,4,5)",114.10023999999999,67.74429,
7474,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1](=[C:2]1/[C:3]([H:9])([H:10])[N:4]([H:11])[C:5](=[O:6])[N:7]1[H:12])\[H:8],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H2,(H3,4,5,6,7)",63.615930000000006,-7.30435,
7475,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2](=[C:3]=[N:4][H:11])[N:7]([C:5](=[O:6])[H:10])[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-1-3(5)6-2-7/h2,4H,5H2,(H,6,7)",130.81646,41.342240000000004,
7476,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[N:7][C:6]([H:12])([H:13])[N:5]=[C:4]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2H,3H2,1H3",45.6135,11.701,
7477,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:12])[C:4]([H:11])=[N+:5]=[C-:6][N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2,4,6H,1H3/t4-/m0/s1",121.43186999999999,61.21966,
7478,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][N:7]([C@@:6]1([H:12])[C:4]([H:11])=[N:5]1)[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-3-6-4-2-5-4/h2,4,6H,1H3/t4-/m0/s1",126.66946000000002,74.1613,
7479,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]1([H:13])[C:4]([H:11])=[N:5][C:6]([H:12])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-4H,1H3/t4-/m1/s1",52.03843,22.00392,
7480,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]1[C:4]([H:9])([H:11])[N:5]=[C:6]([H:12])[N:7]1[H:13])([H:8])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h3H,1-2H2,(H,5,6)",70.75350999999999,69.22695999999999,
7481,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3]([C:4](=[N+:5]=[C-:6][H:12])[H:11])=[N:7]\[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-6-3-4(5)7-2/h1,3,5H,2H3/b5-4-",60.66913,55.51594,
7482,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:4]([H:11])[N:5]1/[C:6](=[N:7]/[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-6(4)3-5/h2-3,5H,1H3/b5-3+",98.87416,87.79739000000001,
7483,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[O:2][C@@:3]12[C:4]([H:11])=[N:5][C:6]([H:9])([H:12])[N:7]2[H:13],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-4(2-7-4)6-3-5-1/h1,6H,2-3H2/t4-/m0/s1",91.99707,28.949920000000002,
7484,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C-:4]=[N+:5]=[C:6]([H:12])[N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h3-4,6H,1H3/t4-/m0/s1",76.64242,72.98291,Singlet_Carbene_Intra_Disproportionation
7485,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[O+:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n-:7]1)([H:8])[H:10].[H:9][H:13],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H4N2O.H2/c1-7-4-2-5-3-6-4;/h2-3H,1H2;1H",87.55785999999999,71.40953,
7486,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:4]([H:11])[N:5]([H:12])[C:6][N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2,5-6H,1H3",65.55966,28.578870000000002,
7487,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:4]1([H:11])[C-:3]=[N+:7]([H:13])[C:6]([H:12])=[N:5]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h3-5H,1H3/t4-/m0/s1",83.10254,55.70521,
7488,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:4](=[C:3]=[N:7][H:13])[H:11])([H:8])([H:9])[H:10].[N:5]#[C:6][H:12],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C3H5NO.CHN/c1-5-3-2-4;1-2/h3-4H,1H3;1H",108.71132,53.3711,
7489,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][c:3]1[c-:4][n:5]([H:11])[c+:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h3,5-6H,1H3",81.50585,46.08136,
7490,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[C:5]1([H:9])=[N:7][C:6]1([H:10])[H:11].[O:1]=[C:2]=[C:3]=[C:4]([H:8])[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C3H2O.C2H3N/c1-2-3-4;1-2-3-1/h1H2;1H,2H2",55.85657,35.89496,Retroene
7491,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]=[C:2]=[C:3]=[C:4]([C:6](/[C:5](=[N:7]\[H:12])[H:9])([H:10])[H:11])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c6-4-2-1-3-5-7/h1,4,6H,2H2/b6-4-",74.05841,-11.68852,
7492,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]=[C:2]=[C:3]=[C:4]([N:7]([C:5](=[C:6]([H:10])[H:11])[H:9])[H:12])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-6-4-3-5-7/h2,4,6H,1H2",76.25718,-22.973570000000002,
7493,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O-:1][C:2]([C:3]#[C:4][H:8])=[C:5]1[C:6]([H:10])([H:11])[N+:7]1([H:9])[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,6-7H,3H2",60.69079,38.09268,
7494,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O-:1][C:2]([C:3]#[C:4][H:8])=[C:5]([N:7]([C+:6]([H:10])[H:11])[H:12])[H:9],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-3-5(7)4-6-2/h1,4,6H,2H2",42.28608,18.201729999999998,
7495,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[C:3](#[C:4][H:8])[C:6](/[C:5](=[N:7]\[H:12])[H:9])([H:10])[H:11].[O+:1]#[C-:2],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C4H5N.CO/c1-2-3-4-5;1-2/h1,4-5H,3H2;/b5-4-;",81.05633,-13.93931,
7496,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[C:5]1[C:6]([H:10])([H:11])[N:7]1[H:12].[O:1]=[C:2]=[C:3]=[C:4]([H:8])[H:9],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C3H2O.C2H3N/c1-2-3-4;1-2-3-1/h1H2;3H,1H2",76.24045,66.59857,
7497,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]1[C:2]([C:3]#[C:4][H:8])=[C:5]([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-5-3-4-6-7-5/h1,3,6H,4H2",71.52981,25.8159,ketoenol
7498,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O+:1]#[C:2][C:3](=[C-:4][H:8])[N:7]([C:5](=[C:6]([H:10])[H:11])[H:9])[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-3-6-5(2)4-7/h2-3,6H,1H2",87.81859,23.89186,
7499,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]=[C:2]([C:3]#[C:4][H:8])[C:5]([N:7]([C:6][H:11])[H:12])([H:9])[H:10],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-3-5(7)4-6-2/h1-2,6H,4H2",75.35016999999999,33.0347,
7500,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O+:1](=[C-:2][C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12])[C:3]#[C:4][H:8],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-7-4-5-3-6-5/h1,5-6H,3H2/t5-/m1/s1",103.93225,76.30192,
7501,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O-:1][C:2]([C:3]#[C:4][H:8])=[C+:5][N:7]([C:6]([H:9])([H:10])[H:11])[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-3-5(7)4-6-2/h1,6H,2H3",75.07961,22.39205,
7502,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]=[C:2]1[C@@:3]([C:4][H:8])([H:10])[C@:6]2([H:11])[C@@:5]1([H:9])[N:7]2[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-3-4(6-3)5(2)7/h1-4,6H/t2-,3-,4-/m1/s1",93.31248000000001,69.98640999999999,
7503,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]([C@:2]([C:3]#[C:4][H:8])([C@@:5]1([H:9])[C:6]([H:11])=[N:7]1)[H:10])[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,3-5,7H/t4-,5-/m1/s1",83.34046,22.78575,
7504,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[C:3](#[C:4][H:8])[N:7]([C:5](=[C:6]([H:10])[H:11])[H:9])[H:12].[O+:1]#[C-:2],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C4H5N.CO/c1-3-5-4-2;1-2/h1,4-5H,2H2;",87.82802,-7.12529,
7505,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]=[C:2]([C:3](=[C:4])[H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h2,4,6H,3H2/t4-/m1/s1",41.21541,45.114129999999996,Singlet_Carbene_Intra_Disproportionation
7506,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[C:6](=[N:7][H:12])([H:10])[H:11].[O:1]=[C:2]1[C:3]2=[C:4]([H:8])[C@@:5]12[H:9],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C4H2O.CH3N/c5-4-2-1-3(2)4;1-2/h1-2H;2H,1H2/t2-;/m1./s1",89.64643000000001,56.56834,
7507,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[C:4](/[O:5][H:12])[C:6]([O:7][H:15])([H:13])[H:14])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h1,5-7H,2-3H2/b4-1+",67.37971999999999,15.723289999999999,ketoenol
7508,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([O:5][C:4](=[C:3]([H:11])[H:12])[C:6]([O:7][H:15])([H:13])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H8O3/c1-4(2-5)7-3-6/h5-6H,1-3H2",77.77962,18.16112,ketoenol
7509,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:10])([H:11])[H:12].[O:1]([C:2][H:9])[H:8],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C3H6O2.CH2O/c1-3(5)2-4;1-2/h4H,2H2,1H3;1-2H",80.63571,68.07571,
7510,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C@:4]1([O:5][H:8])[C:6]([O:7][H:15])([H:13])[H:14],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H8O3/c5-3-4(6)1-2-7-4/h5-6H,1-3H2/t4-/m1/s1",50.08183,16.35451,
7511,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[H:8][H:10].[O:1]=[C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:9],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H6O3.H2/c5-2-1-4(7)3-6;/h2,6H,1,3H2;1H",87.38965,19.48605,
7512,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](/[C:4]([O:5][H:15])=[C:6](/[O:7][H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h3,5-7H,1-2H2/b4-3-",67.65225,10.43177,ketoenol
7513,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[H:13][H:15].[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H6O3.H2/c5-2-1-4(7)3-6;/h3,5H,1-2H2;1H",96.13512,28.261490000000002,
7514,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C@:4]([O:5][H:15])([C:6](=[O:7])[H:14])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h3-5,7H,1-2H2/t4-/m0/s1",41.56727,4.2691099999999995,
7515,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([O+:5]=[C-:4][C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H8O3/c5-1-3-7-4-2-6/h5-6H,1-3H2",114.96157,65.55662,
7516,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[C:6]([O:7][H:15])([H:8])([H:13])[H:14].[O:1]1[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]1=[O:5],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C3H4O2.CH4O/c4-3-1-2-5-3;1-2/h1-2H2;2H,1H3",81.86532,13.41946,
7517,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[C:3](=[C:4]=[O:5])([H:11])[H:12].[C:6]([O:7][H:15])([H:8])([H:13])[H:14].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C2H2O.CH4O.CH2O/c1-2-3;2*1-2/h1H2;2H,1H3;1H2",89.16046,42.98898,
7518,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C@:4]1([O:5][H:15])[C:6]([H:13])([H:14])[O:7]1)([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H8O3/c5-2-1-4(6)3-7-4/h5-6H,1-3H2/t4-/m1/s1",56.060080000000006,21.62085,
7519,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])[H:10].[C:6](#[N:7])[H:9],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C5H10.CHN/c1-4-5(2)3;1-2/h4-5H,1H2,2-3H3;1H",100.28531,29.90147,
7520,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])=[C:6]=[N:7][C:5]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C6H11N/c1-4-6(2)5-7-3/h4H2,1-3H3",103.21895,30.565340000000003,
7521,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C-:6]=[N+:7]=[C:5]([H:16])[H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C6H11N/c1-4-6(2)5-7-3/h6H,3-4H2,1-2H3/t6-/m1/s1",107.03016000000001,53.26356,
7522,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:6]#[N:7])([H:13])[H:14])=[C:5]([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:18],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C6H9N.H2/c1-3-6(2)4-5-7;/h2-4H2,1H3;1H",127.31726,30.82105,
7523,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@:3]([C:5]([H:16])([H:17])[H:18])([C:6]1=[N:7][C:4]1([H:13])[H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C6H11N/c1-3-5(2)6-4-7-6/h5H,3-4H2,1-2H3/t5-/m0/s1",108.15301000000001,40.14822,
7524,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])=[C:6]=[N:7][H:9],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C4H7N.C2H4/c1-4(2)3-5;1-2/h5H,1-2H3;1-2H2",67.68544,48.14436,Retroene
7525,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[N+:7]#[C-:6])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C6H11N/c1-5-6(2,3)7-4/h5H2,1-3H3",60.46276999999999,19.928420000000003,
7526,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C+:3]=[C:6]=[N-:7])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]([C:5]([H:16])([H:17])[H:18])([H:13])([H:14])[H:15],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C4H5N.C2H6/c1-2-3-4-5;1-2/h2H2,1H3;1-2H3",140.11161,92.36463,
7527,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3]([C:4]([H:13])([H:14])[H:15])(=[C:5]([H:16])[H:17])[C:6]#[N:7].[H:9][H:18],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C4H5N.C2H4.H2/c1-4(2)3-5;1-2;/h1H2,2H3;1-2H2;1H",94.4616,53.81036999999999,
7528,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:9])([H:11])[H:12])([N:7]=[C:6]=[C:3]([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[H:18])([H:8])[H:10],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C6H11N/c1-4-7-5-6(2)3/h4H2,1-3H3",100.19235,28.91678,
7529,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6][N:7]1[H:9],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C6H11N/c1-6(2)3-4-7-5-6/h7H,3-4H2,1-2H3",95.76975999999999,42.89399,
7530,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3]1([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]([H:9])=[N:7]1,"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C4H7N.C2H4/c1-4(2)3-5-4;1-2/h3H,1-2H3;1-2H2",105.32618000000001,65.68101999999999,
7531,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:12])[C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])/[C:6]1=[N:7]/[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C6H11N/c1-4-5(7)6(4,2)3/h4,7H,1-3H3/b7-5+/t4-/m0/s1",107.19796000000001,35.09333,
7532,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([N+:7]#[C-:6])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H9NO/c1-5(6-2)4-7-3/h5H,4H2,1,3H3/t5-/m1/s1",58.596790000000006,21.34982,
7533,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:13])([H:8])([H:9])[H:10].[C:3](=[C:4]([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:11])[H:12],"InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H5N.CH4O/c1-4(2)3-5;1-2/h1H2,2H3;2H,1H3",61.39058000000001,12.97,"1,3_Insertion_ROR"
7534,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([N:7]=[C:6]=[C:4]([C:5]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H9NO/c1-3-4-6-5-7-2/h3H,5H2,1-2H3",80.90930999999999,27.909640000000003,
7535,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])[H:10].[H:9][H:12],"InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H7NO.H2/c1-5(3-6)4-7-2;/h4-5H,2H2,1H3;1H/t5-;/m0./s1",85.84034,84.53186,
7536,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:5]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10].[C:3](=[C:4]([C:6]#[N:7])[H:13])([H:11])[H:12],"InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C3H3N.C2H6O/c1-2-3-4;1-3-2/h2H,1H2;1-2H3",96.29838000000001,25.50283,
7537,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([C-:6]=[N+:7]=[C:5]([H:14])[H:16])([H:13])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H9NO/c1-6-4-3-5-7-2/h1,3,5H2,2H3",108.64223,52.85389,
7538,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4](=[C:6]=[N:7][C:5]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H9NO/c1-6-4-3-5-7-2/h3H,5H2,1-2H3",106.48741000000001,31.28182,
7539,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:3](=[C:4]1[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12].[H:8][H:13].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2",InChI=1S/C4H6O.CH2O.H2/c1-4-2-5-3-4;1-2;/h1-3H2;1H2;1H,88.09246,46.80018,
7540,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:5](=[O:6])([H:14])[H:15].[O:1]([C:2]([C:3]([C:4](=[C:7]([H:16])[H:17])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C4H8O.CH2O/c1-2-3-4-5;1-2/h2,5H,1,3-4H2;1H2",66.59071999999999,7.7026,2+2_cycloaddition
7541,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:2]([H:9])[H:10].[O:1]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C4H8O2.CH2/c5-1-4-2-6-3-4;/h4-5H,1-3H2;1H2",127.83748999999999,112.02838,
7542,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4](=[C:5]([H:14])[H:15])[C:7]([O:6][H:13])([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H10O2/c1-5(4-7)2-3-6/h6-7H,1-4H2",88.29007,-10.73432,
7543,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C@@:4]([C:7]([O:6][H:8])([H:16])[H:17])([H:13])[C:5]1([H:14])[H:15],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1",62.7397,-18.89859,
7544,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4][C:7]([O:6][C:5]([H:13])([H:14])[H:15])([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h6H,2,4-5H2,1H3",85.68919,67.78976,
7545,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([C:7]([O+:6]=[C-:5][H:14])([H:16])[H:17])([H:13])[H:15])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h1,6H,2-5H2",83.4398,46.47854,
7546,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[H:13][H:16].[O:1]([C:2]([C:3]([C:4]1=[C:7]([H:17])[O:6][C:5]1([H:14])[H:15])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H8O2.H2/c6-2-1-5-3-7-4-5;/h3,6H,1-2,4H2;1H",112.79898999999999,31.67182,
7547,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:4]1([H:13])=[C:5]([H:15])[O:6][C:7]1([H:16])[H:17].[H:10][H:14].[O:1]([C:2](=[C:3]([H:11])[H:12])[H:9])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C3H4O.C2H4O.H2/c1-2-4-3-1;1-2-3;/h1-2H,3H2;2-3H,1H2;1H",99.92766999999999,51.250029999999995,
7548,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:2]1([H:9])([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C@:5]1([H:15])[O:6][C:7]2([H:16])[H:17].[O:1]([H:8])[H:14],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2O/c1-2-5-4(1)3-6-5;/h4-5H,1-3H2;1H2/t4-,5-;/m1./s1",99.87017,13.300220000000001,
7549,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[H:11][H:16].[O:1]([C:2]([C@:3]1([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[O:6][C@@:7]12[H:17])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H8O2.H2/c6-1-3-4-2-7-5(3)4;/h3-6H,1-2H2;1H/t3-,4-,5+;/m1./s1",112.69803,41.13582,
7550,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[H:8][H:10].[O:1]=[C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])[H:9],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H8O2.H2/c6-2-1-5-3-7-4-5;/h2,5H,1,3-4H2;1H",84.33129,16.43068,
7551,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:12])[C@:4]([C:7]([O:6][H:11])([H:16])[H:17])([H:13])[C:5]1([H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H10O2/c6-2-4-1-5(4)3-7/h4-7H,1-3H2/t4-,5+",101.91084000000001,-4.16489,
7552,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:2](=[C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])[H:12])([H:9])[H:10].[O:1]([H:8])[H:11],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2O/c1-2-5-3-6-4-5;/h2,5H,1,3-4H2;1H2",68.27394,11.56022,"1,3_Insertion_ROR"
7553,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10].[C:3](=[C:4]=[C:5]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C3H5N.C3H4/c1-3-2-4-3;1-3-2/h2,4H,1H3;1-2H2",83.15191999999999,57.77455,Retroene
7554,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C:4]1=[C:5]2[H:13])([H:8])([H:9])[H:10].[C:6](=[N:7][H:16])([H:14])[H:15],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C5H6.CH3N/c1-5-2-4(5)3-5;1-2/h2H,3H2,1H3;2H,1H2/t5-;/m1./s1",95.70168000000001,52.78706,
7555,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3]([H:11])([H:12])[C:4](=[C-:5][H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h1,7H,3-4H2,2H3",86.06577,37.92678,
7556,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])[H:9].[C:3](=[C:4]=[C:5]([H:10])[H:13])([H:11])[H:12],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C3H5N.C3H4/c1-3-2-4-3;1-3-2/h4H,1-2H2;1-2H2",69.11594000000001,30.16191,Retroene
7557,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3]([H:11])([H:12])[C-:4]=[C:5]([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-6-4-2-3-5-7-6/h3,7H,4-5H2,1H3",84.49405,24.14275,
7558,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[N:7]([C-:6]([H:14])[H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-4-5-6(2)7-3/h1,7H,3,5H2,2H3",53.00375,28.209909999999997,
7559,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])([N:7]([C:6][H:14])[H:16])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-4-5-6(2)7-3/h1,3,6-7H,5H2,2H3/t6-/m1/s1",71.43001,30.867659999999997,
7560,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])=[N:7]/[C:6]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-4-5-6(2)7-3/h1H,5H2,2-3H3/b7-6-",63.67187,-9.763,
7561,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:6]([C:5](=[C:4]=[C:3]([H:11])[H:12])[H:13])([H:14])[H:15])=[N:7]\[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-3-4-5-6(2)7/h4,7H,1,5H2,2H3/b7-6+",70.95965,-19.18328,
7562,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([N:7]([C:6]([C:2][C:3]([C:4]#[C:5][H:13])([H:11])[H:12])([H:14])[H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-3-4-5-6-7-2/h1,7H,4,6H2,2H3",117.37065,72.47822,
7563,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1(/[C:3](=[C:4](\[C:5][H:13])[H:12])[H:11])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,3-4,7H,5H2,2H3/b4-3-/t6-/m1/s1",77.22436,61.76708000000001,
7564,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:12])[H:11])([H:9])[H:10].[C:4]1([H:13])=[C:6]([H:16])[C:5]1([H:14])[H:15].[C:7]([H:8])([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C3H4.C2H4O.CH4/c1-2-3-1;1-2-3;/h1-2H,3H2;2-3H,1H2;1H4",126.58025,66.50903000000001,
7565,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:12])=[C:4](\[C:5]([C:6]([C:7]([H:11])([H:17])[H:19])([H:16])[H:18])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-4-5-6(2)7/h5,7H,3-4H2,1-2H3/b6-5+",94.5732,-10.24597,
7566,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4][C:6]([C:5]([H:13])([H:14])[H:15])([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5-7H,1-3H3/t6-/m1/s1",70.4094,69.21625999999999,
7567,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4][C:5]([C:6]([C:7]([H:17])([H:18])[H:19])([H:13])[H:16])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-4-5-6(2)7/h6-7H,3-4H2,1-2H3/t6-/m1/s1",66.37305,64.58906,
7568,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:12])[H:11])([H:9])[H:10].[C:4](\[C:5]([H:8])([H:14])[H:15])(=[C:6](\[C:7]([H:17])([H:18])[H:19])[H:16])[H:13],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3/h3-4H,1-2H3;2-3H,1H2/b4-3-;",93.64134,15.325870000000002,
7569,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4]1\[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10].[O:3]([H:12])[H:13],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10.H2O/c1-3-6-4-5(6)2;/h3,5H,4H2,1-2H3;1H2/b6-3+;/t5-;/m1./s1",73.26831,19.9906,"1,3_Insertion_ROR"
7570,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:4](=[C:2](/[O:3][H:12])[H:11])[H:13])([H:8])([H:9])[H:10].[C:5](=[C:6]([C:7]([H:17])([H:18])[H:19])[H:16])([H:14])[H:15],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C3H6O.C3H6/c1-2-3-4;1-3-2/h2-4H,1H3;3H,1H2,2H3/b3-2+;",109.39433999999999,14.19215,
7571,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:3][H:12])([H:8])([H:9])[H:10].[C:2]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C5H8.CH4O/c1-4-3-5(4)2;1-2/h1,4-5H,3H2,2H3;2H,1H3/t4-,5+;/m0./s1",127.46441000000002,98.07641,
7572,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:7]([H:17])([H:18])[H:19])([C:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1([H:12])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H12O/c1-5(7-2)6-3-4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1",127.22227,12.80194,
7573,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6][C:7]([H:17])([H:18])[H:19])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5-7H,1-3H3/t5-,6+/m0/s1",70.6834,68.92255,
7574,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@@:4]1([C:5]([C:6]([C:7]([H:17])([H:18])[H:19])([H:12])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-4-6-5(2)7-6/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1",72.59164,2.8475,
7575,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](/[C:5]([C@:6]([O:3][H:12])([C:7]([H:17])([H:18])[H:19])[H:16])([H:14])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-4,6-7H,5H2,1-2H3/b4-3+/t6-/m1/s1",82.72604,-5.0686599999999995,
7576,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6][C:7]([H:17])([H:18])[H:19])([H:14])[H:15])([H:13])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-4-5-6(2)7/h6-7H,4-5H2,1-2H3/t6-/m1/s1",69.72138000000001,67.01726,
7577,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:13])=[C:5]([H:15])[C:6]1([C:7]([H:17])([H:18])[H:19])[H:16].[H:12][H:14],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C4H6.C2H4O.H2/c1-4-2-3-4;1-2-3;/h2-4H,1H3;2H,1H3;1H",101.82087,66.26496999999999,
7578,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2](=[O:3])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-4-2-5(4)3-6;/h3-5H,2H2,1H3;1H4/t4-,5-;/m1./s1",83.44281,6.621239999999999,
7579,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:12])=[C:4]([H:11])[H:13])([H:8])([H:9])[H:10].[C:5](=[C:6]([C:7]([H:17])([H:18])[H:19])[H:16])([H:14])[H:15],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C3H6O.C3H6/c1-3(2)4;1-3-2/h4H,1H2,2H3;3H,1H2,2H3",91.06843,9.65269,
7580,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1)[H:11])([H:8])([H:9])[H:10].[C:7]([H:16])([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-4(6)5-2-3-5;/h4-6H,2H2,1H3;1H4/t4-,5+;/m1./s1",98.76646,88.92984,
7581,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](\[C@@:6]([C:5]([O:3][H:12])([H:14])[H:15])([C:7]([H:17])([H:18])[H:19])[H:16])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-4-6(2)5-7/h3-4,6-7H,5H2,1-2H3/b4-3-/t6-/m0/s1",87.49016999999999,2.33633,
7582,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:12])=[C:4](\[C:5]([C:6](=[C:7]([H:17])[H:19])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10].[H:11][H:18],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-3-4-5-6(2)7;/h3,5,7H,1,4H2,2H3;1H/b6-5+;",71.692,21.2963,
7583,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:5]([C@:4]1([H:13])[C@:2]([O:3][H:12])([H:11])[C@@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-5-4(2)6(5)7/h4-7H,3H2,1-2H3/t4-,5+,6+/m1/s1",128.72205,2.93299,
7584,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[H:8])([H:9])[H:10].[C:6](=[O:7])([H:16])[H:17],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-2-3-4-5;1-2/h2,5H,1,3-4H2;1H2",81.19358000000001,13.75809,
7585,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([O:5][H:15])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10].[C:4]([H:13])[H:14],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C4H8O2.CH2/c1-4(2-5)3-6-4;/h5H,2-3H2,1H3;1H2/t4-;/m1./s1",126.4494,112.06651000000001,
7586,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10].[C:4]([O:5][H:15])[H:14],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-4(2)3-5-4;1-2/h3H2,1-2H3;1-2H",85.94527,73.76678000000001,
7587,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2][C:6]([O:7][C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-4-7-5-3-6/h6H,3-5H2,1H3",110.76534,69.72202,
7588,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([C:4](=[O:5])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2.H2/c1-5(2-3-6)4-7-5;/h3H,2,4H2,1H3;1H/t5-;/m1./s1",89.6909,18.95849,
7589,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([O:5][C:4]([C:3]([C@:2]1([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:11])[H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-6-3-2-5-4-7-5/h5H,2-4H2,1H3/t5-/m1/s1",129.21989,15.908420000000001,
7590,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:7][H:15])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-5(6)2-3-7-4-5/h6H,2-4H2,1H3/t5-/m1/s1",61.10219,-17.61574,
7591,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]2([C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])[C:6]([H:16])([H:17])[O:7]2.[O:5]([H:9])[H:15],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1",InChI=1S/C5H8O.H2O/c1-2-5(3-1)4-6-5;/h1-4H2;1H2,105.57651000000001,16.708270000000002,
7592,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([O:7][C:6]([C:2][C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h6H,2,4-5H2,1H3",114.60165,72.92846,
7593,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3](=[C:4]([H:13])[H:14])[H:11])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10].[O:5]([H:12])[H:15],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O.H2O/c1-3-5(2)4-6-5;/h3H,1,4H2,2H3;1H2/t5-;/m1./s1",67.63083,11.79624,"1,3_Insertion_ROR"
7594,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C-:2]=[O+:7][C:6]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-7-5-3-4-6/h6H,3-5H2,1H3",103.12518,34.99248,
7595,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:6]([O:7][H:15])([H:16])[H:17])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:13])[H:14],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-4(2)3-5;1-2/h5H,1,3H2,2H3;1H2",41.06282,10.304680000000001,
7596,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]([H:16])[H:17])[O:7][H:14])([H:8])([H:9])[H:10].[C:3](=[C:4]([O:5][H:15])[H:13])([H:11])[H:12],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-3(2)4;1-2-3/h4H,1H2,2H3;2-3H,1H2",85.44555,4.63326,
7597,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:6]1([H:16])[O:7]2)([H:8])([H:9])[H:10].[O:5]([H:15])[H:17],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O.H2O/c1-5-3-2-4(5)6-5;/h4H,2-3H2,1H3;1H2/t4-,5+;/m0./s1",98.47059,15.64506,
7598,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6][H:17])[O:7][H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-5(2,7)3-4-6/h1,6-7H,3-4H2,2H3/t5-/m1/s1",72.85848,69.22821,
7599,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])=[O+:7][C-:6]([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-5(7-2)3-4-6/h6H,2-4H2,1H3",69.88195,49.98516,
7600,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([O+:7]=[C-:6][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-5(7-2)3-4-6/h2,5-6H,3-4H2,1H3/t5-/m1/s1",78.71225,49.22987,
7601,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C-:2]([N:3]([C+:4]([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-2-6-4-3-5-7/h2,4-6H,3H2,1H3",51.54168,27.767870000000002,
7602,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[C:4]([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-2-6-4-3-5-7/h2,5H,3-4H2,1H3/b6-2+",67.93434,-12.58272,
7603,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@:2]2([H:11])[N:3]([H:12])[C@:4]2([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:10])[H:16],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c7-3-1-4-5(2-3)6-4/h3-7H,1-2H2/t3-,4-,5+",77.54079,-1.52071,
7604,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N+:3]([H:12])([H:13])[C-:4]1[C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-4H,2,6H2,1H3/t4-/m1/s1",77.1435,55.381609999999995,
7605,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[C:4](\[C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-2-6-4-3-5-7/h4-5H,2-3H2,1H3/b6-4-",67.22896,-6.03209,
7606,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2][N:3]([C:4]([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])([H:11])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-2-6-4-3-5-7/h5-6H,3-4H2,1H3",70.6679,29.301709999999996,
7607,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]([C:4][H:13])[H:12])([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-5(6-2)3-4-7/h2,4-6H,3H2,1H3/t5-/m1/s1",109.51151000000002,29.0138,
7608,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2](/[C:4](=[N:3]/[H:12])[H:13])([O:7][C:6](=[C:5]([H:14])[H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-3-7-5(2)4-6/h3-6H,1H2,2H3/b6-4+/t5-/m0/s1",69.36603000000001,3.45055,
7609,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H7NO.H2/c1-4-5(6-4)2-3-7;/h3,5-6H,1-2H2;1H/t5-;/m0./s1",118.93937,36.947390000000006,
7610,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4][C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:12])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-2-6-4-3-5-7/h5-6H,2-3H2,1H3",69.66584,27.7322,
7611,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10].[C:5](=[C:6]=[O:7])([H:15])[H:16],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C3H7N.C2H2O/c1-3-2-4-3;1-2-3/h3-4H,2H2,1H3;1H2/t3-;/m1./s1",91.88963000000001,18.315620000000003,
7612,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]1=[C:5]([H:14])[H:15])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C4H7N.CO.H2/c1-3-4(2)5-3;1-2;/h4-5H,1H2,2H3;;1H/t4-;;/m1../s1",82.9087,33.823159999999994,
7613,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]([C:6](=[O:7])[H:16])[H:12])([C:4](=[C:5]([H:14])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-3-5(2)6-4-7/h3-5H,1H2,2H3,(H,6,7)/t5-/m1/s1",51.66323,-19.791220000000003,
7614,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[H:12])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:14])[H:15])([C:6](=[O:7])[H:16])[H:13],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C3H4O.C2H5N/c1-2-3-4;1-2-3/h2-3H,1H2;2-3H,1H3/b;3-2+",85.9459,4.92119,
7615,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:4]([N:3]([H:11])[H:12])([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-2-5(6)3-4-7/h4-5H,3,6H2,1H3/t5-/m1/s1",75.94364,61.93716,
7616,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C@:2]1([H:11])[N:3]([H:12])[C@@:4]1([C:5]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C4H9N.CO/c1-3-4(2)5-3;1-2/h3-5H,1-2H3;/t3-,4+;",85.90841,-2.44197,"1,2_Insertion_CO"
7617,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6][O:7][H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h4-7H,2H2,1H3/t4-,5+/m1/s1",80.70884000000001,52.58789,
7618,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@@:4]2([H:13])[N:3]([H:12])[C@:6]([H:16])([C:5]2([H:14])[H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-3-4-2-5(6-4)7-3/h3-6H,2H2,1H3/t3-,4+,5+/m1/s1",77.91672,7.73194,
7619,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]([N:3]([C:4](=[C:5]([H:14])[H:15])[H:13])[H:12])[H:11])([H:8])[H:9].[C:6](=[O:7])([H:10])[H:16],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C4H7N.CH2O/c1-3-5-4-2;1-2/h3-5H,1-2H2;1H2",79.03487,20.171770000000002,
7620,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([O+:7]=[C-:6][H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-4-5(6-4)3-7-2/h2,4-6H,3H2,1H3/t4-,5+/m1/s1",112.09018,65.97908000000001,
7621,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([N+:3]1([H:12])[C-:2]([H:11])[C@@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-6-4-5(6)2-3-7/h3-6H,2H2,1H3/t5-/m0/s1",108.40448,60.73514,
7622,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1(/[C:5](=[C:6](\[O:7][H:10])[H:16])[H:15])[H:13])([H:8])([H:9])[H:14],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h2-7H,1H3/b3-2-/t4-,5+/m1/s1",72.40266,7.36912,ketoenol
7623,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[N:3](=[C:4](/[C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])\[H:12],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C3H5NO.C2H4/c4-2-1-3-5;1-2/h2-4H,1H2;1-2H2/b4-2+;",93.2963,10.51905,
7624,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([C@@:7]2([H:16])[C:5]([H:14])=[N:6]2)[C:3]([H:11])=[C:4]1[H:13])([H:8])([H:9])[H:10].[H:12][H:15],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H7N.H2/c1-6(2-3-6)5-4-7-5;/h2-5H,1H3;1H/t5-;/m1./s1",83.22957,39.89479,
7625,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:16])[C@@:5]2([H:14])[C@@:4]([H:13])([C:3]1([H:11])[H:12])[N:6]2[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-4-2-5-6(3-4)7-5/h2,5-7H,3H2,1H3/t5-,6+/m0/s1",48.10869,-43.69809,
7626,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([C@@:7]2([H:16])[C:5][N:6]2[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6(2-3-6)5-4-7-5/h5,7H,2-3H2,1H3/t5-/m1/s1",64.32808,16.26161,
7627,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:12])[C:4][C@@:5]2([H:14])[N:6]([H:15])[C@@:7]12[H:16])([H:8])[H:10].[H:9][H:13],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H7N.H2/c1-4-2-3-5-6(4)7-5;/h5-7H,1-2H2;1H/t5-,6+;/m1./s1",104.1164,53.18387,
7628,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C@:4]([C:3]([H:11])([H:12])[H:15])([H:13])[C@@:5]1([H:14])[N:6]=[C:7]2[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-4-5-6(4,2)3-7-5/h3-5H,1-2H3/t4-,5+,6-/m0/s1",57.72068,-16.33065,
7629,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:13])[C:3]([H:11])([H:12])[C:4][C@@:5]2([H:14])[N:6]([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-4-2-3-5-6(4)7-5/h4-7H,2H2,1H3/t4-,5+,6-/m0/s1",55.801469999999995,24.65471,
7630,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:7]1([H:16])[C@:5]([C:4](=[C:3]([H:11])[H:12])[H:13])([H:14])[N:6]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-3-5-6(4-2)7-5/h3,5-7H,1H2,2H3/t5-,6+/m1/s1",57.48881,38.172740000000005,
7631,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5]([H:14])([H:15])[N:6]=[C:7]2[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6-2-5(6)3-7-4-6/h4-5H,2-3H2,1H3/t5-,6+/m0/s1",52.24139,-51.50582,
7632,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5]([H:14])([H:16])[N:6]([H:15])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6-2-5(6)3-7-4-6/h5,7H,2-3H2,1H3/t5-,6+/m0/s1",57.94473000000001,-18.469379999999997,
7633,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:16])[N:6]=[C:5]([H:14])[C@@:4]1([C:3]([H:11])([H:12])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-5-3-7-4-6(5)2/h3-5H,1-2H3/t5-/m0/s1",57.70519,-61.43492,
7634,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C-:5][N:6]([H:15])[C+:7]2)([H:8])([H:9])[H:10].[H:14][H:16],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H7N.H2/c1-6-2-5(6)3-7-4-6;/h5,7H,2H2,1H3;1H/t5-,6+;/m0./s1",94.72261999999999,59.71841,
7635,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C@@:7]2([H:16])[C:5]([H:13])([H:14])[N:6]2[H:15])[C:3]([H:11])([H:12])[C:4]1)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6(2-3-6)5-4-7-5/h5,7H,2,4H2,1H3/t5-,6+/m1/s1",68.79263,51.52941,
7636,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:12])[C@:4]([C:3][H:11])([H:13])[C@@:5]2([H:14])[N:6]([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-3-4(2)6-5(3)7-6/h1,3-7H,2H3/t3-,4-,5-,6+/m1/s1",57.91848,52.3459,
7637,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[N:6]([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-4-2-3-5-6(4)7-5/h2,5-7H,3H2,1H3/t5-,6+/m1/s1",57.617540000000005,-45.08636,
7638,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:15])[C@@:4]2([H:13])[C:5]([H:14])=[N:6][C@@:7]12[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6(2)4-3-7-5(4)6/h3-5H,1-2H3/t4-,5+/m0/s1",62.32186,-16.46922,
7639,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5][N:6]([H:15])[C:7]2([H:14])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6-2-5(6)3-7-4-6/h5,7H,2,4H2,1H3/t5-,6+/m0/s1",57.09045,-18.07506,
7640,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:16])[N:6]([H:15])[C:5]([H:14])=[C:4]([H:13])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6-3-2-4-7-5-6/h2,4-5,7H,3H2,1H3",52.74176,-62.17203000000001,
7641,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@:5]2([N:6]([C:7][H:16])[H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6-3-4(6)5(6)7-2/h2,4-5,7H,3H2,1H3/t4-,5+,6-/m0/s1",61.56811,22.443620000000003,
7642,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C@@:7]1([H:16])[C@:5]([C:4][H:13])([H:14])[N:6]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-4(2)6-5(3)7-6/h3,5-7H,1H2,2H3/t5-,6+/m1/s1",57.25336,44.411,
7643,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5]([H:14])=[N:6][C:7]2([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6-2-5(6)3-7-4-6/h3,5H,2,4H2,1H3/t5-,6+/m0/s1",52.34531,-51.53242,
7644,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[N:6]([H:15])[C:7]1([H:9])[H:16])([H:8])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6-3-2-4-7-5-6/h2,4,7H,1,3,5H2",85.65031,-53.08466,
7645,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:15])[C:4]([H:13])=[C:5]([H:14])[N:6]=[C:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6(2)3-4-7-5-6/h3-5H,1-2H3",62.31207,-58.271919999999994,
7646,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]#[C:2][C:3]1=[C:7]([H:10])[C@@:6]2([H:9])[C@:4]1([H:8])[O:5]2,"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c6-2-3-1-4-5(3)7-4/h1,4-5H/t4-,5+/m0/s1",100.26459,66.24994000000001,Intra_2+2_cycloaddition_Cd
7647,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]#[C:2][C:3]1=[C:4]([H:8])[C@@:7]1([C:6](=[O:5])[H:9])[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c6-2-4-1-5(4)3-7/h1,3,5H/t5-/m1/s1",95.88243,51.1565,ketoenol
7648,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]#[C:2][C:3]1=[C:4]([H:8])[O:5][C:7]1=[C:6]([H:9])[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c1-4-5(2-6)3-7-4/h3H,1H2",85.65465999999999,41.943909999999995,
7649,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]#[C:2][C:3]([C:4](=[O:5])[H:8])=[C:7]=[C:6]([H:9])[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c1-2-5(3-6)4-7/h4H,1H2",70.27986999999999,31.451790000000003,
7650,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]#[C:2][C:4](=[C:3]=[C:7]([C:6](=[O:5])[H:9])[H:10])[H:8],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c6-4-2-1-3-5-7/h2-3,5H",84.19139,32.82318,
7651,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]1=[C:2]2/[C:3](=[C:7](/[C:6](=[O:5])[H:9])[H:10])[C@:4]12[H:8],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c7-2-1-3-4-5(3)6-4/h1-2,4H/b3-1+/t4-/m0/s1",111.48558,102.38241,
7652,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]#[C:2][C:3]1([C:4](=[O:5])[H:8])[C:6]([H:9])=[C:7]1[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c6-3-5(4-7)1-2-5/h1-2,4H",90.2935,49.11403,ketoenol
7653,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]1=[C:4]([H:8])[O:5][C:6]([H:9])=[C:7]([H:10])[C:3]#[C:2]1,"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c1-2-4-7-5-6-3-1/h2,4-5H",111.92196000000001,91.14408,
7654,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]#[C:2][C:3]1=[C:4]([H:8])[O+:5]=[C-:6][C:7]1([H:9])[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h4H,1H2",67.5497,58.91158000000001,Singlet_Carbene_Intra_Disproportionation
7655,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]#[C:2][C@:3]1([H:8])[C-:4]=[O+:5][C:6]([H:9])=[C:7]1[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,5H/t5-/m1/s1",72.62153,64.90724,Singlet_Carbene_Intra_Disproportionation
7656,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]#[C:2][C@:3]([C:4](=[O:5])[H:8])([C:7]#[C:6][H:9])[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c1-2-5(3-6)4-7/h1,4-5H/t5-/m1/s1",94.01871,42.36224,
7657,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N+:1](#[C-:2])[c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H",InChI=1S/C5H3NO/c1-6-5-2-3-7-4-5/h2-4H,59.62536,24.26585,
7658,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[C:6](#[C:7][H:10])[H:9].[N:1]#[C:2][C:3](=[C:4]=[O:5])[H:8],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H",InChI=1S/C3HNO.C2H2/c4-2-1-3-5;1-2/h1H;1-2H,119.30101,54.03576999999999,
7659,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N+:1](#[C-:2])[C@@:7]([C:3]#[C:4][H:8])([C:6](=[O:5])[H:9])[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c1-3-5(4-7)6-2/h1,4-5H/t5-/m0/s1",138.46613,64.26162,
7660,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([N:5]([C@@:4]1([C:7]([H:14])([H:15])[H:16])[O:2][C:3]1([H:11])[H:12])[O:6][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO2/c1-4(3-7-4)5(2)6/h6H,3H2,1-2H3/t4-/m0/s1",104.13977,16.603070000000002,
7661,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:8])([N:5]([C:4](=[C:3]([H:11])[H:12])[C:7]([H:14])([H:15])[H:16])[O:6][H:13])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO2/c1-4(2)5(7)3-6/h6-7H,1,3H2,2H3",102.42841999999999,2.16709,
7662,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([N:5]([O:6][H:13])[H:15])=[C:7]([H:14])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h5-6H,1,3H2,2H3",65.96024,16.493170000000003,
7663,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:13])([H:8])([H:9])[H:10].[C:3](=[C:4]([N:5]=[O:6])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C3H5NO.CH4O/c1-3(2)4-5;1-2/h1H2,2H3;2H,1H3",45.80408,28.16442,
7664,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([H:11])[H:12])([H:8])[H:9].[C:4](=[N:5]/[O:6][H:13])(\[C:7]([H:14])([H:15])[H:16])[H:10],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C2H5NO.C2H4O/c1-2-3-4;1-3-2/h2,4H,1H3;1-2H2/b3-2+;",82.80851,77.33997,
7665,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][N:5]([C:4](=[C:3]([H:11])[H:12])[C:7]([H:14])([H:15])[H:16])[O:6][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO2/c1-4(2)5(6)7-3/h6H,1H2,2-3H3",86.03244000000001,38.14606,
7666,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C+:4]([N:5]([O-:6])[H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h5H,3H2,1-2H3",52.05028,14.18854,
7667,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[O+:2][C:3](=[C:4]([N-:5][O:6][H:13])[C:7]([H:14])([H:15])[H:16])[H:12])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H7NO2.H2/c1-4(5-6)3-7-2;/h3,6H,2H2,1H3;1H",82.2334,76.79974,
7668,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@:4]([N:5]=[O:6])([C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h4H,3H2,1-2H3/t4-/m1/s1",76.1328,16.31684,ketoenol
7669,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:8])[H:9].[C:3](=[C:4]([N:5]([O:6][H:13])[H:10])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C3H7NO.CH2O/c1-3(2)4-5;1-2/h4-5H,1H2,2H3;1H2",61.691590000000005,18.7398,Retroene
7670,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([N:5]=[O:6])=[C:7]([H:14])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H7NO2.H2/c1-4(5-6)3-7-2;/h1,3H2,2H3;1H",106.48572,43.601729999999996,
7671,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3][C@:5]([O:4][H:12])([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-3-2-4(6)5(3)7/h3-7H,1H3/t3-,4+,5-/m0/s1",66.7889,63.07678000000001,
7672,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[O+:4][C:5][C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H6O2.H2/c1-4-2-7-3-5(4)6;/h4-6H,1H3;1H/t4-,5+;/m0./s1",126.23671000000002,106.37788,
7673,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]([C:5][H:13])([H:12])[O:4][C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-3-4(2)7-5(3)6/h2-6H,1H3/t3-,4-,5+/m0/s1",90.14581,64.02502,
7674,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:4][C@@:5]([C:3][H:12])([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-3-5(6)4(2)7-3/h1,3-6H,2H3/t3-,4-,5-/m1/s1",104.90423,69.84911,
7675,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]([C:5](=[O:4])[H:13])([H:12])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-3-4(2-6)5(3)7/h2-5,7H,1H3/t3-,4-,5-/m0/s1",46.43992,-20.429389999999998,
7676,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C@@:3]1([H:12])[O:4][C:5]1([H:13])[H:14])([C:6][O:7][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4(2-6)5-3-7-5/h4-6H,3H2,1H3/t4-,5+/m1/s1",74.12113000000001,41.930620000000005,
7677,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6][O:7][H:15])[H:13])[H:11])([H:8])[H:9].[H:10][H:14],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H6O2.H2/c1-2-4-5(3-6)7-4;/h2,4-6H,1H2;1H/t4-,5+;/m1./s1",122.21475,67.23663,
7678,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C@@:5]([O:4][H:15])([C:6](=[O:7])[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h2-5,7H,1H3/b3-2+/t5-/m1/s1",48.48123,-26.30544,
7679,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5][C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-3-4(6)2-5(3)7/h3-7H,1H3/t3-,4-,5+",68.61873,65.79754,
7680,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C@@:6]([C:5](=[O:4])[H:13])([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4(2)5(7)3-6/h3,5,7H,1H2,2H3/t5-/m1/s1",58.22833000000001,-27.13535,
7681,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]([H:12])[O+:4]=[C:5]([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4-2-7-3-5(4)6/h2-6H,1H3/t4-,5+/m0/s1",55.35576,28.878420000000002,
7682,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[O+:4][C:5]([H:12])([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4-2-7-3-5(4)6/h4-6H,3H2,1H3/t4-,5+/m0/s1",61.39924,15.398929999999998,
7683,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C@@:3]1([H:12])[O:4][C:5]1([H:13])[H:15])([C:6](=[O:7])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4(2-6)5-3-7-5/h2,4-5H,3H2,1H3/t4-,5+/m1/s1",72.76485,-11.71577,
7684,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:6]([C@@:5]1([H:13])[C-:3]=[O+:4]1)([O:7][H:15])[H:14])[H:11])([H:8])[H:9].[H:10][H:12],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H6O2.H2/c1-2-4(6)5-3-7-5;/h2,4-6H,1H2;1H/t4-,5+;/m0./s1",110.7479,64.24859000000001,
7685,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:5]([O+:4]=[C-:3][H:12])([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-3-4(6)5(3)7-2/h2-6H,1H3/t3-,4+,5-/m1/s1",84.39769,54.624480000000005,
7686,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O+:4]=[C-:5][C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4-2-7-3-5(4)6/h4-6H,2H2,1H3/t4-,5+/m0/s1",63.8411,15.404320000000002,
7687,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([O:4]/[C:5](=[C:6](\[O:7][H:15])[H:14])[H:13])([H:10])[H:12])[H:11])([H:8])[H:9],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h2-3,5-6H,1,4H2/b5-3-",104.26791999999999,-5.66341,
7688,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]2([H:11])[C@:3]3([H:12])[O:4][C@:5]3([H:13])[C@:6]12[H:14].[O:7]([H:9])[H:15],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H6O.H2O/c1-2-3(1)5-4(2)6-5;/h2-5H,1H2;1H2/t2-,3+,4-,5+;",109.32321999999999,37.31197,
7689,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C4H4O2.CH4/c5-2-1-3-4(2)6-3;/h2-5H;1H4/t2-,3+,4-;/m0./s1",92.24891,78.17787,
7690,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:6]([C:4](=[O:5])[H:15])([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-5(2)6(3)4-7/h4-6H,1-3H3/t6-/m1/s1",62.7443,-15.959389999999999,
7691,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([O:5][H:16])([C:6][C:7]([H:17])([H:18])[H:19])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5-7H,1-3H3/t6-/m0/s1",71.82103000000001,67.03455,
7692,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O+:5][C-:6]([C:7]([H:17])([H:18])[H:19])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-4-7-5-6(2)3/h4-6H,1-3H3",70.00621,52.506240000000005,
7693,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([O+:5]=[C-:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-4-7-5-6(2)3/h6H,5H2,1-3H3",76.26321999999999,37.5263,
7694,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4][C@@:6]([O:5][H:15])([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5-7H,1-3H3/t6-/m0/s1",72.08793,67.43684,
7695,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C3H6O.C3H6/c1-3-2-4-3;1-3-2/h3H,2H2,1H3;3H,1H2,2H3/t3-;/m0./s1",114.24361,25.07356,
7696,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](/[C:3]([H:12])([H:13])[H:14])[H:15])[H:11])([H:8])([H:9])[H:10].[O:5]=[C:6]([C:7]([H:17])([H:18])[H:19])[H:16],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3/h3-4H,1-2H3;2H,1H3/b4-3+;",81.60808,0.82644,
7697,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([C:3]([H:12])([H:13])[H:14])([H:11])[C@@:4]1([C@@:6]([O:5][H:9])([C:7]([H:17])([H:18])[H:19])[H:16])[H:15],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5+,6-/m1/s1",68.93576,-2.09337,
7698,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([O+:5]=[C-:6][H:16])([C:7]([H:17])([H:18])[H:19])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-5(2)6(3)7-4/h4-6H,1-3H3/t6-/m0/s1",104.78284000000001,47.67143,
7699,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([O:5][C@:6]([C:4][H:15])([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-5(2)7-6(3)4/h1,5-6H,2-4H3/t5-/m1/s1",112.45992,76.56298000000001,
7700,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C-:4]=[O+:5][C:6]([C:7]([H:17])([H:18])[H:19])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-4-7-5-6(2)3/h6H,4H2,1-3H3",76.51196,38.49455,
7701,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])=[C:4]([C@@:6]([O:5][H:11])([C:7]([H:17])([H:18])[H:19])[H:16])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-5(2)4-6(3)7/h4,6-7H,1-3H3/t6-/m0/s1",65.48913,-5.54079,
7702,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O+:5]=[C-:6]1)[H:11])([H:8])([H:9])[H:10].[C:7]([H:16])([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C5H8O.CH4/c1-4(2)5-3-6-5;/h4-5H,1-2H3;1H4/t5-;/m0./s1",92.72168,55.10787,
7703,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H10O.H2/c1-4(2)6-5(3)7-6;/h5-6H,1H2,2-3H3;1H/t5-,6+;/m0./s1",113.15513999999999,29.953129999999998,
7704,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([O:5][C:7]([H:17])([H:18])[H:19])([C:6][H:16])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-5(2)6(3)7-4/h3,5-6H,1-2,4H3/t6-/m0/s1",114.61171000000002,83.18073000000001,
7705,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C:6]1=[C:7]([H:17])[H:19])[H:11])([H:8])([H:9])[H:10].[H:16][H:18],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H10O.H2/c1-4(2)6-5(3)7-6;/h4,6H,3H2,1-2H3;1H/t6-;/m1./s1",116.40247,34.71823,
7706,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])=[C:4]([O:5][C:6](=[C:7]([H:17])[H:19])[H:16])[H:15])([H:8])([H:9])[H:10].[H:11][H:18],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H10O.H2/c1-4-7-5-6(2)3;/h4-5H,1H2,2-3H3;1H",78.18603,24.95336,
7707,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]([C:3]([H:12])([H:13])[H:14])[C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C5H8O.CH4/c1-3-5-4(2)6-5;/h4-5H,1-2H3;1H4/t4-,5+;/m0./s1",91.48194000000001,85.52463,
7708,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([O:5][H:18])([C:6](=[C:7]([H:17])[H:19])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-4-6(7)5(2)3/h4-7H,1H2,2-3H3/t6-/m0/s1",61.060990000000004,-3.73869,
7709,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]1\[O:4][C@:5]([C:6]([H:12])([H:13])[H:14])([H:11])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-4-3-5(6-2)7-4/h4H,1-2H3/b6-5-/t4-/m0/s1",65.00774,60.119440000000004,
7710,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1]([O:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[C@:7]1([C:3]#[N:2])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-7-5-2-4(5)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1",98.75264,-15.85627,
7711,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]([C:7](=[C:6](\[C:5](=[O:4])[H:11])[H:13])/[H:14])\[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-6-4-2-3-5-7/h2-5H,1H3/b3-2-,6-4+",112.35413,-20.98788,
7712,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[O+:4][C-:5]2[C:6]([H:12])([H:13])[C@@:7]12[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3,6H,2H2,1H3/t3-/m1/s1",98.15464,39.505140000000004,
7713,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[C:7]2[C@@:5]([H:11])([O:4]1)[C:6]2([H:12])[H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h4,6H,2H2,1H3/t4-/m0/s1",81.08038,42.91995,
7714,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]1\[O:4][C:5]([H:11])([H:12])[C@:7]1([C:6][H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-4-3-7-5(4)6-2/h1,4H,3H2,2H3/b6-5-/t4-/m1/s1",69.51569,67.75222,
7715,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]1\[O+:4]=[C-:5][C@:7]1([C:6]([H:11])([H:12])[H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-4-3-7-5(4)6-2/h4H,1-2H3/b6-5-/t4-/m1/s1",54.264759999999995,30.067420000000002,
7716,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C-:1]([N:2]([C:3]1=[O+:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])[H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4,6H,1-2H2/t3-,4+/m1/s1",80.70786,53.23673,
7717,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]1\[O:4][C@:5]([C:6][H:13])([H:11])[C:7]1([H:12])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-4-3-5(6-2)7-4/h1,4H,3H2,2H3/b6-5-/t4-/m0/s1",63.03278,60.55863000000001,
7718,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3]1=[O+:4][C-:5]([H:11])[C:6]([H:12])([H:13])[C:7]1([H:10])[H:14])([H:8])[H:9],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-6-5-3-2-4-7-5/h4H,1-3H2",80.23693,27.746859999999998,
7719,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3]1=[C:7]2[C@@:5]([H:11])([O:4]1)[C:6]2([H:12])[H:13])([H:8])[H:9].[H:10][H:14],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H5NO.H2/c1-6-5-3-2-4(3)7-5;/h4H,1-2H2;1H/t4-;/m0./s1",95.83444,80.27338,
7720,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([O:6][C:7]([H:19])([H:20])[H:21])[H:17])([H:15])[H:16].[H:12][H:18],"InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3","InChI=1S/C3H6O.C3H6.H2/c1-3-4-2;1-3-2;/h3H,1H2,2H3;3H,1H2,2H3;1H",94.43209,47.95138,
7721,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])[H:10].[H:9][H:14],"InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3","InChI=1S/C6H12O.H2/c1-3-4-5-6-7-2;/h3H,1,4-6H2,2H3;1H",113.86206999999999,30.565340000000003,
7722,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[C:4]([H:15])([H:16])[C:5]1([H:17])[H:18].[O:6]([C:7]([H:19])([H:20])[H:21])[H:9],"InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3","InChI=1S/C5H10.CH4O/c1-2-4-5-3-1;1-2/h1-5H2;2H,1H3",99.09414,1.2457,
7723,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:18])([H:8])([H:9])[H:10].[C:3]1([H:13])([H:14])[C:4]([H:15])([H:16])[C:5]1([O:6][C:7]([H:19])([H:20])[H:21])[H:17],"InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3","InChI=1S/C4H8O.C2H6/c1-5-4-2-3-4;1-2/h4H,2-3H2,1H3;1-2H3",115.79443,25.23162,
7724,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1([H:13])[C:4]([H:15])([H:16])[C:5]1([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[O:6]([C:7]([H:19])([H:20])[H:21])[H:14],"InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3","InChI=1S/C5H10.CH4O/c1-2-5-3-4-5;1-2/h5H,2-4H2,1H3;2H,1H3",95.52637,18.79567,
7725,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C:2](=[C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12],"InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3","InChI=1S/C5H10O.CH4/c1-3-4-5-6-2;/h3H,1,4-5H2,2H3;1H4",115.17846999999999,17.96455,
7726,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5](=[O+:6][C-:7]([H:19])[H:20])[H:17])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:18][H:21],"InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3","InChI=1S/C6H12O.H2/c1-3-4-5-6-7-2;/h6H,2-5H2,1H3;1H",83.01623000000001,82.72726,
7727,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[C:5]([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[O:6]([C:7]([H:19])([H:20])[H:21])[H:16],"InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3","InChI=1S/C5H10.CH4O/c1-3-5-4-2;1-2/h3H,1,4-5H2,2H3;2H,1H3",68.27776999999999,14.265579999999998,"1,3_Insertion_ROR"
7728,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:8])([H:9])[H:10].[C:6]([O:7][H:17])[H:16],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C5H8.CH2O/c1-5-3-2-4-5;1-2/h3H,2,4H2,1H3;1-2H",146.51369,94.79921999999999,
7729,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]=[C:4]([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-5-3-2-4-6(5)7;/h2,6-7H,4H2,1H3;1H/t6-;/m1./s1",116.66533999999999,91.95945,
7730,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4]([H:12])([H:13])[H:14])[H:11])[C@@:6]([C:5][H:15])([O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-4-5(2)6(3)7/h3-4,6-7H,1-2H3/b5-4-/t6-/m1/s1",101.0293,97.48453,
7731,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:3](=[C:4]([H:12])[H:13])[H:11])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-3-6(2)4-5(6)7/h3,5,7H,1,4H2,2H3/t5-,6+/m1/s1",83.41784,24.572129999999998,
7732,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4]([C:5]([H:14])([H:15])[H:17])([H:12])[H:13])[H:11])[C:6](=[O:7])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4-",80.79243000000001,8.45885,
7733,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:17].[C:2]1([C:6](=[O:7])[H:16])=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C5H6O.CH4/c6-4-5-2-1-3-5;/h2,4H,1,3H2;1H4",114.86778999999999,32.796279999999996,
7734,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])[H:9].[H:10][H:14],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-3-4-2-5(4)6(3)7;/h4-7H,1-2H2;1H/t4-,5-,6+;/m1./s1",120.4164,58.52018,
7735,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([H:16])[C:5]([H:14])([H:15])[C:4]([H:13])=[C:3]1[H:11])([H:8])([H:9])[H:10].[O:7]([H:12])[H:17],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H8.H2O/c1-6-4-2-3-5-6;/h2,4-5H,3H2,1H3;1H2",64.19048000000001,7.638089999999999,"1,3_Insertion_ROR"
7736,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])=[C:6](\[O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-5(4-7)6-2-3-6/h4,6-7H,2-3H2,1H3/b5-4+",83.67863,21.15393,
7737,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([O:7][H:17])[C:5]([H:14])([H:15])[C:4]([H:12])=[C:3]1[H:11])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-5-3-2-4-6(5)7;/h2-3,7H,4H2,1H3;1H",59.222319999999996,22.261129999999998,
7738,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[C:4]([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])([H:12])[H:13])[H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3/b3-2-",84.94762,8.98602,
7739,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:13])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2-3,5-7H,4H2,1H3/t5-,6+/m0/s1",86.53681999999999,3.3221,
7740,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])=[C:4]([H:13])[C:5]([H:14])([H:15])[C@@:6]1([H:16])[O:7]2)([H:8])([H:9])[H:10].[H:12][H:17],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-6-4-2-3-5(6)7-6;/h2,4-5H,3H2,1H3;1H/t5-,6+;/m1./s1",87.66183000000001,39.31438,
7741,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([O:7][H:17])[C:5]([H:14])([H:15])[C:4]([H:12])([H:13])[C:3]1([H:11])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h7H,2-4H2,1H3",87.90624,-3.15679,
7742,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5-7H,2,4H2,1H3/t5-,6+/m0/s1",69.79527,70.72613,Singlet_Carbene_Intra_Disproportionation
7743,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])[H:9].[C:2]1([H:10])=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C5H8O.CH2/c6-5-3-1-2-4-5;/h1,3,5-6H,2,4H2;1H2/t5-;/m0./s1",110.57321,115.82248999999999,"1,2_Insertion_carbene"
7744,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])[H:10].[H:9][H:13],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-5-3-2-4-6(5)7;/h2-3,6-7H,1,4H2;1H/t6-;/m1./s1",88.03302,29.14917,
7745,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3]([H:11])=[C-:4][C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-5-3-2-4-6(5)7;/h3,6-7H,4H2,1H3;1H/t6-;/m1./s1",94.57643,88.84680999999999,
7746,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4]([C:5]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])[C:6][O:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4,7H,3H2,1-2H3/b6-4-",79.29048,61.72359,
7747,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:3](=[C:4]=[N:5][H:12])[H:11])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-5(2-3-6)4-7-5/h2,6H,4H2,1H3/t5-/m1/s1",78.79995,42.60468,
7748,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3])[C:7]([O:6]/[C:4](=[N:5]\[H:12])[H:11])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-5(2)3-7-4-6/h4,6H,3H2,1H3/b6-4-",97.92645,94.50845,
7749,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][H:11])([H:8])([H:9])[H:10].[C:4]=[N:5][H:12].[O:6]=[C:7]([H:13])[H:14],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C3H4.CHN.CH2O/c1-3-2;2*1-2/h1H,2H3;2H;1H2",118.54111999999999,82.87539,
7750,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4]#[N:5])[H:11])[C:7]([O:6][H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-5(4-7)2-3-6/h2,7H,4H2,1H3/b5-2-",68.59039,9.56675,
7751,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:7]([C:2]#[C:3][H:11])([H:13])[H:14])([H:8])([H:9])[H:10].[C:4](=[N:5][H:12])=[O:6],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C4H6.CHNO/c1-3-4-2;2-1-3/h1H,4H2,2H3;2H",104.48934,25.337229999999998,
7752,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]=[N:5][H:12])[H:11])=[C:7]([O:6][H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-5(4-7)2-3-6/h2,4,6-7H,1H3",78.50856999999999,27.46463,
7753,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[o:6][c:7]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3",94.74183000000001,-0.25853000000000004,
7754,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:7]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6]1)([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-2-4-3-5(6)7-4/h3,6H,2H2,1H3/b6-5-",104.48769,27.87688,
7755,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([N:5]([H:10])[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])[H:9],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2H,1,3,6H2",101.6459,10.322339999999999,
7756,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:14])[O:6]/[C:4](=[N:5]\[H:12])[C:3]1([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h3,6H,2H2,1H3/b6-5-",69.52333,3.06755,
7757,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10].[C:4](=[N:5][H:12])=[O:6],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C4H6.CHNO/c1-4-2-3-4;2-1-3/h2H,3H2,1H3;2H",74.12769,41.801759999999994,
7758,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[C:2][C:7]([H:13])([H:14])[O:6]/[C:4]1=[N:5]\[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-4-2-3-7-5(4)6/h4,6H,3H2,1H3/b6-5-/t4-/m0/s1",83.24204,71.93330999999999,
7759,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]=[C:4]([N:5]([H:11])[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h3,6H2,1H3",71.91404,42.50107,
7760,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[C:4]=[N:5][H:12])[H:11])([C:7](=[O:6])[H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-5(4-7)2-3-6/h2,4-6H,1H3/t5-/m0/s1",61.218,25.39718,
7761,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O-:1][N+:7]([N:3]=[C-:2][H:8])=[C:6]([N+:5]#[C:4][H:9])[H:10],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,InChI=1S/C3H3N3O/c1-4-3-6(7)5-2/h1-3H,185.2348,172.86341000000002,
7762,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O+:1]#[C-:2].[n:3]1[c:4]([H:9])[n:5]([H:8])[c:6]([H:10])[n:7]1,InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,"InChI=1S/C2H3N3.CO/c1-3-2-5-4-1;1-2/h1-2H,(H,3,4,5);",63.8416,8.41593,
7763,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]=[C:2]([N-:3][N:7]=[C:6]([N+:5]#[C:4][H:9])[H:10])[H:8],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,InChI=1S/C3H3N3O/c1-4-2-5-6-3-7/h1-3H,97.28749,80.49304000000001,
7764,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]=[C:2]([N:3]=[C:4]([N:5]=[C:6]=[N:7][H:10])[H:9])[H:8],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,InChI=1S/C3H3N3O/c4-1-5-2-6-3-7/h2-4H,82.59466,13.207379999999999,
7765,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]1[C@:2]2([H:8])[N:3]3[C@:4]2([H:9])[N:5]2[C@:6]1([H:10])[N:7]32,InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,"InChI=1S/C3H3N3O/c7-2-1-4(2)6-3(7)5(1)6/h1-3H/t1-,2+,3-,4?,5?,6?/m1/s1",143.75973,112.5579,
7766,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]=[C:2]([N+:3]([C@:4]1([H:9])[N:5]=[C:6]1[H:10])=[N-:7])[H:8],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,InChI=1S/C3H3N3O/c4-6(2-7)3-1-5-3/h1-3H/t3-/m0/s1,139.19808999999998,97.96478,
7767,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]=[C:2]([N:3]1[C@:4]2([H:9])[N:5]=[C:6]([H:10])[N:7]12)[H:8],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,"InChI=1S/C3H3N3O/c7-2-6-3-4-1-5(3)6/h1-3H/t3-,5?,6?/m1/s1",100.9926,88.31926,
7768,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O+:1]#[C-:2].[n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:8],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,"InChI=1S/C2H3N3.CO/c1-3-2-5-4-1;1-2/h1-2H,(H,3,4,5);",45.79882,2.03512,"1,2_Insertion_CO"
7769,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[C:4](#[N:5])[H:9].[O:1]=[C:2]([N-:3][N+:7]#[C:6][H:10])[H:8],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,InChI=1S/C2H2N2O.CHN/c1-3-4-2-5;1-2/h1-2H;1H,84.6104,72.34254,
7770,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]=[C:2]([C@:4]1([H:9])[N:3]=[N:7][C:6]([H:10])=[N:5]1)[H:8],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,InChI=1S/C3H3N3O/c7-1-3-4-2-5-6-3/h1-3H/t3-/m0/s1,51.88803,38.98962,
7771,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]1[C:2]([H:8])=[N:3][C:4]([H:9])=[N:5][C:6]([H:10])=[N:7]1,InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,InChI=1S/C3H3N3O/c1-4-2-6-7-3-5-1/h1-3H,108.43391000000001,57.04108000000001,ketoenol
7772,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([c:2]1[n:3]([H:11])[n:4][c:5]([O-:6])[n+:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)",61.60546,19.211029999999997,
7773,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([c:2]1[n:3][n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)",51.421170000000004,6.50151,ketoenol
7774,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1]([C:2](/[N:3]=[N:4]/[H:11])=[N:7]\[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C2H5N3.CO/c1-2(3)5-4;1-2/h3-4H,1H3;/b3-2+,5-4+;",83.93961,57.03644,
7775,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[N:4]/[H:11])=[N:7]/[C:5](=[O:6])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C3H5N3O/c1-3(6-4)5-2-7/h2,4H,1H3/b5-3-,6-4+",84.0711,54.858619999999995,
7776,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([N:3]=[C:2]=[N:7][H:12])([H:8])([H:9])[H:10].[N:4](=[C:5]=[O:6])[H:11],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C2H4N2.CHNO/c1-4-2-3;2-1-3/h3H,1H3;2H",92.72301,22.42972,
7777,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([c:2]1[n:3][n:4][c:5]([O:6][H:11])[n:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)",57.79739,13.83951,ketoenol
7778,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[N:4]\[C:5](=[O:6])[H:11])=[N:7]\[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C3H5N3O/c1-3(4)6-5-2-7/h2,4H,1H3/b4-3+,6-5-",79.68755999999999,61.859080000000006,
7779,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2](/[N:3]=[N:4]/[H:11])[N:7]([C:5](=[O:6])[H:8])[H:12])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C3H5N3O/c1-3(6-4)5-2-7/h2,4H,1H2,(H,5,7)/b6-4+",123.41973999999999,53.00216999999999,
7780,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[C:5]1=[C:6]([H:18])[C:7]1([H:20])[H:21])([H:8])([H:9])[H:10].[H:17][H:19],"InChI=1S/C7H14/c1-7(2,3)6-4-5-6/h6H,4-5H2,1-3H3","InChI=1S/C7H12.H2/c1-7(2,3)6-4-5-6;/h4H,5H2,1-3H3;1H",120.07473,50.38929,
7781,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([H:15])[H:16])([H:8])([H:9])[H:10].[C:5](=[C:6]([H:18])[H:19])([C:7]([H:14])([H:20])[H:21])[H:17],"InChI=1S/C7H14/c1-7(2,3)6-4-5-6/h6H,4-5H2,1-3H3","InChI=1S/C4H8.C3H6/c1-4(2)3;1-3-2/h1H2,2-3H3;3H,1H2,2H3",89.52411,12.92352,
7782,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C:2][C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:8])([H:9])[H:10].[C:3]([C:4]([H:14])([H:15])[H:16])([H:11])([H:12])[H:13],"InChI=1S/C7H14/c1-7(2,3)6-4-5-6/h6H,4-5H2,1-3H3","InChI=1S/C5H8.C2H6/c1-2-5-3-4-5;1-2/h5H,3-4H2,1H3;1-2H3",142.79627,81.92505,
7783,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C@:5]([C:7]([C:4]([H:14])([H:15])[H:16])([H:20])[H:21])([H:17])[C:6]1([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-7(2,3)6-4-5-6/h6H,4-5H2,1-3H3","InChI=1S/C7H14/c1-4-6-5-7(6,2)3/h6H,4-5H2,1-3H3/t6-/m0/s1",128.81172,-1.654,
7784,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[C:5][C:7]([C:6]([H:17])([H:18])[H:19])([H:20])[H:21])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-7(2,3)6-4-5-6/h6H,4-5H2,1-3H3","InChI=1S/C7H14/c1-5-6-7(2,3)4/h5H2,1-4H3",69.50585,67.2214,
7785,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:5]1[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:8])([H:9])[H:10].[C:4]([H:14])([H:15])([H:16])[H:17],"InChI=1S/C7H14/c1-7(2,3)6-4-5-6/h6H,4-5H2,1-3H3","InChI=1S/C6H10.CH4/c1-5(2)6-3-4-6;/h3-4H2,1-2H3;1H4",118.3612,22.46852,
7786,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:12])[C:3]([H:11])=[N:4][C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3-4H,2H2,1H3/t4-/m0/s1",80.13914,8.43507,
7787,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C@:3]1([H:11])[N:4]([H:12])[C:5]1=[O:6])=[C:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-3(2)4-5(7)6-4/h4H,1H2,2H3,(H,6,7)/t4-/m0/s1",92.23956,47.86874,
7788,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:13])[C:3]([H:11])=[N+:4]([H:12])[C:5]([O-:6])=[C:7]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h2-4,7H,1H3/t4-/m0/s1",52.7332,37.61318,
7789,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:14])[c:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h2-3,6-7H,1H3",69.15518,8.23836,ketoenol
7790,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]=1[H:13],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C4H3NO.CH4/c6-4-2-1-3-5-4;/h2-3H,(H,5,6);1H4",111.12977,83.94058000000001,
7791,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:3][N:4]([H:12])[C+:5]([O:6][H:11])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h6-7H,2H2,1H3",130.44178,73.96855,
7792,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[N:4]/[H:12])[H:11])=[C:7](/[C:5](=[O:6])[H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h2-4,6H,1H3/b5-2-,6-4+",57.486019999999996,32.58279,
7793,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1(/[C:3](=[N:4]/[H:12])[H:11])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-5(3-6)2-4(5)7/h3,6H,2H2,1H3/b6-3+/t5-/m1/s1",71.48835,48.44104,
7794,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C-:3]=[N+:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H5NO.H2/c1-4-2-5(7)6-3-4;/h6H,1-2H2;1H",109.96723,65.04655,
7795,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:10])([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])[H:9],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h1-3H2,(H,6,7)",86.15314000000001,4.85816,
7796,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C-:3]=[N+:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h4,6H,2H2,1H3/t4-/m0/s1",57.36781,37.74951,Singlet_Carbene_Intra_Disproportionation
7797,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:13])[C:5](=[O:6])[N:4]=[C:3]1[H:11])([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H5NO.H2/c1-4-2-5(7)6-3-4;/h2-3H,1H3;1H",87.42303000000001,40.71261,
7798,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[N:4][C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])[H:9].[H:10][H:12],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H5NO.H2/c1-4-2-5(7)6-3-4;/h3H,1-2H2;1H",110.99516000000001,36.27355,
7799,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[N:4]=[C:5]([O:6][H:12])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)",51.65968,11.68675,ketoenol
7800,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1]([C:2](/[C:3](=[N:4]/[H:12])[H:11])=[C:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C4H7N.CO/c1-4(2)3-5;1-2/h3,5H,1H2,2H3;/b5-3+;",66.26195,31.72338,
7801,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[O:6]/[C:5](=[N:4]\[H:12])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h3,6H,2H2,1H3/b6-5-",121.59605,16.86148,ketoenol
7802,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C@@:5]2([N:4]([H:12])[O:6]2)[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4-2-5(3-4)6-7-5/h2,6H,3H2,1H3/t5-/m0/s1",138.64029,89.95366,
7803,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:4]([C:5](=[O:6])[H:12])([H:14])[H:15])[C:3]([H:11])([H:13])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3","InChI=1S/C5H8O2/c1-5(2-3-6)4-7-5/h3H,2,4H2,1H3/t5-/m0/s1",112.0415,35.01775,
7804,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])=[C:5]([O:6][H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3","InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3,6H,1-2H3",88.04757,32.66667,ketoenol
7805,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:7][C:5](=[C+:4][H:14])[O-:6])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3","InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h3-4H,1-2H3",85.79385,85.00019,
7806,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3","InChI=1S/C4H8O.CO/c1-4(2)3-5-4;1-2/h3H2,1-2H3;",96.99891,29.31164,
7807,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([O:7][C:5]([C:4]([C:2][C:3]([H:11])([H:12])[H:13])([H:14])[H:15])=[O:6])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3","InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h4H2,1-2H3",127.41343,87.49739,
7808,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[O:7])([H:8])([H:9])[H:10].[C:4](=[C:5]=[O:6])([H:14])[H:15],"InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3",InChI=1S/C3H6O.C2H2O/c1-3(2)4;1-2-3/h1-2H3;1H2,54.721090000000004,22.907729999999997,2+2_cycloaddition
7809,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[C:5]=[O:6])[H:14])[O:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3","InChI=1S/C5H8O2/c1-5(2,7)3-4-6/h3,7H,1-2H3",82.23285,19.14494,
7810,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1]([C:4]([C:2]([C:3]([H:11])([H:12])[H:13])=[O:7])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3","InChI=1S/C4H8O.CO/c1-3-4(2)5;1-2/h3H2,1-2H3;",94.63404,6.14016,
7811,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:17])[C@:5]2([H:15])[C@@:6]1([H:16])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-4-2-3-5-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1",67.99507,7.77728,
7812,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])[H:10].[C:2]1([H:9])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C5H8O.CH2/c6-5-3-1-2-4-5;/h1,3,5-6H,2,4H2;1H2/t5-;/m1./s1",106.82166000000001,112.52821999999999,"1,2_Insertion_carbene"
7813,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:16])[C:5]([H:15])=[C:6]1[O:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h4-5,7H,2-3H2,1H3/t5-/m0/s1",84.57335,-4.18023,
7814,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]#[C:5][C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-5-3-2-4-6(5)7;/h5-7H,3H2,1H3;1H/t5-,6+;/m0./s1",119.867,103.07894,
7815,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:6]([C:5](=[C:4]=[C:3]([H:12])[H:13])[H:15])([O:7][H:17])[H:16])([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-5-6(7)4-2/h5-7H,1,4H2,2H3/t6-/m0/s1",132.77521000000002,26.09534,
7816,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([O:7][H:17])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h2-3,5-7H,4H2,1H3/t5-,6+/m1/s1",68.40642,1.10891,
7817,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2]1([H:11])=[C:3]([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]1([O:7][H:17])[H:16],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1",InChI=1S/C5H6O.CH4/c6-5-3-1-2-4-5;/h1-6H;1H4,107.72216999999999,18.139689999999998,
7818,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2](/[C:3](=[C:4]([C:5](=[C:6](/[O:7][H:17])[H:16])\[H:15])/[H:14])[H:12])[H:11])([H:8])[H:10].[H:9][H:13],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-2-3-4-5-6-7;/h2-7H,1H2;1H/b4-3-,6-5-;",115.68699,37.19192,
7819,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[C@@:6]([C:5](=[C:4]([H:11])[H:14])[H:15])([O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-4-6(7)5(2)3/h4,6-7H,1-2H2,3H3/t6-/m1/s1",122.96172,19.1614,
7820,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:4]([C:5](=[C:6](\[O:7][H:17])[H:16])\[H:15])/[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-7H,2H2,1H3/b4-3-,6-5+",87.34893000000001,12.51228,
7821,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2][H:11])([H:8])([H:9])[H:10].[C:3]1([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C4H6O.C2H4/c5-4-2-1-3-4;1-2/h1-2,4-5H,3H2;1H,2H3/t4-;/m1./s1",151.58261000000002,124.1009,
7822,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1(/[C:5](=[C:6](/[O:7][H:17])[H:16])[H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h2-3,5-7H,4H2,1H3/b3-2+/t5-,6+/m0/s1",82.40378,19.69373,
7823,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4][C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5-7H,3-4H2,1H3/t5-,6+/m0/s1",70.22469,67.82588,Singlet_Carbene_Intra_Disproportionation
7824,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-5-3-2-4-6(5)7;/h2,4-5H,3H2,1H3;1H/t5-;/m0./s1",79.82186,7.7511399999999995,
7825,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2.H2/c1-2-5(7)3-4-6;/h4H,2-3H2,1H3;1H",84.14945,16.99257,
7826,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([O:7][H:14])([H:13])[H:17])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h6H,2-4H2,1H3",51.78709,-4.2554300000000005,
7827,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([C:3]([O:4][H:14])=[C:5]([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:17],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H8O.CO.H2/c1-3-4(2)5;1-2;/h5H,2-3H2,1H3;;1H",75.70248000000001,23.99214,
7828,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([O+:7]=[C-:6][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-3-5(6)4-7-2/h2,5-6H,3-4H2,1H3/t5-/m1/s1",115.42146000000001,67.28835,
7829,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H6.C2H4O2/c1-3-2;3-1-2-4/h1H,3H2,2H3;1,4H,2H2",129.89078999999998,28.0383,
7830,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:6]([O:7][H:14])([H:17])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-4-3-5(6)7-4/h4-6H,2-3H2,1H3/t4-,5+/m1/s1",51.32561,12.70833,
7831,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])(/[C:5](=[C:6](\[O:7][H:15])[H:17])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h3-7H,2H2,1H3/b4-3-/t5-/m1/s1",71.45448,10.75491,ketoenol
7832,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]([H:13])[H:14],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O.H2O/c1-2-3-4-5-6;/h5H,2,4H2,1H3;1H2",80.30745,82.88126,
7833,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:5]([C:3](=[O:4])[H:13])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:14])[H:17],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-2-3-4-5;1-2/h4H,2-3H2,1H3;1H2",109.24918000000001,22.97283,
7834,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C:3](=[O:4])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13].[H:8][H:14],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H4O2.C2H4.H2/c4-2-1-3-5;1-2;/h2-3H,1H2;1-2H2;1H",89.14474,49.026740000000004,
7835,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C:2]([C:3](=[O:4])[H:13])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:11])[H:12],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H6O2.CH4/c5-3-1-2-4-6;/h3-4H,1-2H2;1H4",104.39053,8.77966,
7836,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])[H:12])([H:8])([H:9])[H:10].[O:4]([H:11])[H:14],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O.H2O/c1-2-3-4-5-6;/h2-3,5H,4H2,1H3;1H2/b3-2+;",69.64039,14.06986,"1,3_Insertion_ROR"
7837,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4][C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([O:7][H:14])[H:17],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-2-4-3-5-4;1-2/h4H,2-3H2,1H3;1-2H/t4-;/m1./s1",118.34291,95.54672,
7838,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:5]([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]([C:6](=[O:7])[H:17])[H:14],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H8.CH2O2/c1-3-4-2;2-1-3/h3H,1,4H2,2H3;1H,(H,2,3)",62.417080000000006,5.29293,
7839,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:14])[H:17])([H:15])[H:16],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h3H,2H2,1H3;2-3H,1H2",37.037620000000004,21.733729999999998,Retroene
7840,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:5]([C:3](=[O:4])[H:13])([C:6](=[O:7])[H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2.H2/c1-2-5(3-6)4-7;/h3-5H,2H2,1H3;1H",111.74711,24.94379,
7841,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]1([C:6]([O:7][H:14])([H:15])[H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-4-5(3-6)7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1",75.61079000000001,21.81361,
7842,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6][O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h5-7H,2-3H2,1H3/t5-/m1/s1",81.69818000000001,54.298159999999996,
7843,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[O:4][H:14])[H:13])[H:12])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:11])[H:17])([H:15])[H:16],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h2-4H,1H3;2-3H,1H2/b3-2-;",58.85261,29.75925,Retroene
7844,[C:1]([O:2][C:3]([C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:6]([C:7]([C:4](=[C:3]([H:11])[H:12])[C:5]([H:13])([H:14])[H:15])([H:18])[H:19])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(3-4-6)5-7-2/h3-5H2,1-2H3","InChI=1S/C6H12O/c1-6(2)4-5-7-3/h1,4-5H2,2-3H3",84.42538,-5.12781,
7845,[C:1]([O:2][C:3]([C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][H:12])([H:8])([H:9])[H:10].[C:4]1([C:5]([H:13])([H:14])[H:15])([H:11])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19],"InChI=1S/C6H12O/c1-6(3-4-6)5-7-2/h3-5H2,1-2H3","InChI=1S/C4H8.C2H4O/c1-4-2-3-4;1-3-2/h4H,2-3H2,1H3;1H,2H3",84.2969,67.70199000000001,
7846,[C:1]([O:2][C:3]([C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4][C:7]([C:6]([C:5]([H:13])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(3-4-6)5-7-2/h3-5H2,1-2H3","InChI=1S/C6H12O/c1-3-4-5-6-7-2/h3-4,6H2,1-2H3",102.67186,65.61479,
7847,[C:1]([O:2][C:3]([C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:6]([C:7]([C:4][C:5]([H:13])([H:14])[H:15])([H:18])[H:19])([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(3-4-6)5-7-2/h3-5H2,1-2H3","InChI=1S/C6H12O/c1-3-4-5-6-7-2/h4-6H2,1-2H3",99.88275,67.99504,
7848,[C:1]([O:2][C:3]([C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:5]([C:4]1([C:3]([O:2][H:13])([H:11])[H:12])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(3-4-6)5-7-2/h3-5H2,1-2H3","InChI=1S/C6H12O/c1-2-6(5-7)3-4-6/h7H,2-5H2,1H3",114.49341000000001,-8.54244,
7849,[O:1]([C@@:2]1([H:9])[C@:3]2([H:10])[O:4][C@@:5]1([H:11])[C@:6]2([O:7][H:13])[H:12])[H:8],[O:1]([C@@:2]1([H:9])[O:4][C@@:5]1([C@:6]([C:3][H:10])([O:7][H:13])[H:12])[H:11])[H:8],"InChI=1S/C4H6O3/c5-1-3-2(6)4(1)7-3/h1-6H/t1-,2-,3-,4+","InChI=1S/C4H6O3/c1-2(5)3-4(6)7-3/h1-6H/t2-,3+,4-/m0/s1",73.42275,55.02352,
7850,[O:1]([C@@:2]1([H:9])[C@:3]2([H:10])[O:4][C@@:5]1([H:11])[C@:6]2([O:7][H:13])[H:12])[H:8],[O:1]=[C:2]([C@:5]1([H:11])[O:4][C:3]([H:8])([H:10])[C@@:6]1([O:7][H:13])[H:12])[H:9],"InChI=1S/C4H6O3/c5-1-3-2(6)4(1)7-3/h1-6H/t1-,2-,3-,4+","InChI=1S/C4H6O3/c5-1-4-3(6)2-7-4/h1,3-4,6H,2H2/t3-,4-/m0/s1",46.52855,-28.9583,
7851,[O:1]([C@@:2]1([H:9])[C@:3]2([H:10])[O:4][C@@:5]1([H:11])[C@:6]2([O:7][H:13])[H:12])[H:8],[H:12][H:13].[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6]2=[O:7])[H:8],"InChI=1S/C4H6O3/c5-1-3-2(6)4(1)7-3/h1-6H/t1-,2-,3-,4+","InChI=1S/C4H4O3.H2/c5-1-3-2(6)4(1)7-3;/h1,3-5H;1H/t1-,3+,4-;",84.36426,21.18184,
7852,[O:1]([C@@:2]1([H:9])[C@:3]2([H:10])[O:4][C@@:5]1([H:11])[C@:6]2([O:7][H:13])[H:12])[H:8],[O:1](/[C:2](=[C:5](/[C@:6]([C:3](=[O:4])[H:10])([O:7][H:13])[H:12])[H:11])[H:9])[H:8],"InChI=1S/C4H6O3/c5-1-3-2(6)4(1)7-3/h1-6H/t1-,2-,3-,4+","InChI=1S/C4H6O3/c5-2-1-4(7)3-6/h1-5,7H/b2-1+/t4-/m1/s1",38.447379999999995,-43.59952,
7853,[O:1]([C@@:2]1([H:9])[C@:3]2([H:10])[O:4][C@@:5]1([H:11])[C@:6]2([O:7][H:13])[H:12])[H:8],[O:1]=[C:2]([C@:5]([O:4][H:8])([C@:6]([C:3][H:10])([O:7][H:13])[H:12])[H:11])[H:9],"InChI=1S/C4H6O3/c5-1-3-2(6)4(1)7-3/h1-6H/t1-,2-,3-,4+","InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h1-4,6-7H/t3-,4-/m0/s1",46.55531,34.21134,
7854,[O:1]([C@@:2]1([H:9])[C@:3]2([H:10])[O:4][C@@:5]1([H:11])[C@:6]2([O:7][H:13])[H:12])[H:8],[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6]2)[H:8].[O:7]([H:12])[H:13],"InChI=1S/C4H6O3/c5-1-3-2(6)4(1)7-3/h1-6H/t1-,2-,3-,4+","InChI=1S/C4H4O2.H2O/c5-4-2-1-3(4)6-2;/h2-5H;1H2/t2-,3+,4-;",79.40652,66.14654,
7855,[O:1]([C@@:2]1([H:9])[C@:3]2([H:10])[O:4][C@@:5]1([H:11])[C@:6]2([O:7][H:13])[H:12])[H:8],[O:1]([C:2]([C@:5]1([H:11])[O+:4]=[C-:3][C@@:6]1([O:7][H:13])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H6O3/c5-1-3-2(6)4(1)7-3/h1-6H/t1-,2-,3-,4+","InChI=1S/C4H6O3/c5-1-4-3(6)2-7-4/h3-6H,1H2/t3-,4-/m0/s1",59.923230000000004,18.50548,
7856,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C@:2]1([O:3]/[C:6](=[N:7]/[H:13])[H:12])[C:4]([H:10])([H:11])[O:5]1)([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-2-7-3(5)1-6-3/h2,4H,1,5H2/b4-2+/t3-/m1/s1",61.26435,40.05638,
7857,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[H:9][H:11].[N:1](=[C:2]1\[O:3][C@:4]1([O:5]/[C:6](=[N:7]/[H:13])[H:12])[H:10])\[H:8],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H4N2O2.H2/c4-1-6-3-2(5)7-3;/h1,3-5H;1H/b4-1+,5-2-;/t3-;/m1./s1",98.72431,65.08993000000001,
7858,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([O:5][C-:6]=[N+:7]([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h1,4H2,(H2,5,6)",80.8785,31.11611,
7859,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]([C:4]([O:5][C:6](=[O:3])[H:12])([H:10])[H:11])=[N:7][H:13])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-3(5)1-7-2-6/h2H,1H2,(H3,4,5)",51.501529999999995,2.2687,
7860,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[C:2]1(=[O:3])[C:4]([H:10])([H:11])[O:5]/[C:6]1=[N:7]/[H:13].[N:1]([H:8])([H:9])[H:12],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H3NO2.H3N/c4-3-2(5)1-6-3;/h4H,1H2;1H3/b4-3+;",82.70006,35.7293,
7861,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2][C:4]([O:5][C@:6]1([H:12])[O:3][N:7]1[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-1-2-6-3-5-7-3/h3,5H,2,4H2/t3-/m1/s1",132.44808999999998,116.37815,
7862,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[C:4](=[O:5])([H:10])[H:11].[C:6](#[N:7])[H:12].[N:1]([C:2](=[O:3])[H:13])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/CH3NO.CHN.CH2O/c2-1-3;2*1-2/h1H,(H2,2,3);1H;1H2",84.79503000000001,32.45906,
7863,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:4]([C:2](=[O:3])[N:7]([C:6](=[O:5])[H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-1-3(7)5-2-6/h2H,1,4H2,(H,5,6,7)",68.44617,-5.49828,
7864,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([N:7]([C:6](=[O:5])[H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-3(7)1-5-2-6/h2H,1H2,(H2,4,7)(H,5,6)",54.552690000000005,-17.303160000000002,ketoenol
7865,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]1([H:12])[O:3]/[C:6](=[N:7]\[H:13])[O:5][C:4]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-2-1-6-3(5)7-2/h2,5H,1,4H2/b5-3-/t2-/m0/s1",88.28758,7.46775,
7866,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[C:2]1(=[O:3])[C:4]([H:10])([H:11])[O:5][C:6]([H:12])=[N:7]1.[N:1]([H:8])([H:9])[H:13],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H3NO2.H3N/c5-3-1-6-2-4-3;/h2H,1H2;1H3",61.338069999999995,11.62962,
7867,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[C:6](=[N:7][H:13])([H:11])[H:12].[N:1]([C:2](=[O:3])[C:4](=[O:5])[H:10])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C2H3NO2.CH3N/c3-2(5)1-4;1-2/h1H,(H2,3,5);2H,1H2",81.72199,22.14035,
7868,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N+:1]([C:2]([O-:3])=[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])[H:10])([H:8])([H:9])[H:11],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h1-2,4,6H,5H2/b3-1?,4-2+",79.85825,49.13245,
7869,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]12[O:3][C@@:6]([H:12])([O:5][C:4]1([H:10])[H:11])[N:7]2[H:13])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-3-1-6-2(5-3)7-3/h2,5H,1,4H2/t2-,3+/m1/s1",61.13904,46.77576,
7870,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]([O:3][C@@:6]1([H:12])[O:5][N:7]1[H:13])=[C:4]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c1-2(4)6-3-5-7-3/h3,5H,1,4H2/t3-/m0/s1",110.02877,76.60625999999999,
7871,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1](/[C:2]([O:3][H:11])=[C:4](\[O:5]/[C:6](=[N:7]/[H:13])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h1-2,4,6H,5H2/b3-1+,4-2+",61.11753,25.27293,ketoenol
7872,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]1([O:3][H:12])[C:4]([H:10])([H:11])[O:5]/[C:6]1=[N:7]/[H:13])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-2-3(5,6)1-7-2/h4,6H,1,5H2/b4-2+/t3-/m1/s1",76.13169,28.94033,
7873,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]1([N:7]([C:6](=[O:5])[H:12])[H:13])[O:3][C:4]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-3(1-7-3)5-2-6/h2H,1,4H2,(H,5,6)/t3-/m0/s1",59.779030000000006,23.082160000000002,
7874,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([N+:7]#[C-:6])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3/t6-/m0/s1","InChI=1S/C6H11N/c1-5(2)6(3)7-4/h5-6H,1-3H3/t6-/m1/s1",59.15667,21.27166,
7875,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[C:4]([C:5]([H:16])([H:17])[H:18])(=[C:6]=[N:7][H:12])[H:15],"InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3/t6-/m0/s1","InChI=1S/C3H5N.C3H6/c1-2-3-4;1-3-2/h2,4H,1H3;3H,1H2,2H3",68.35118,46.551120000000004,Retroene
7876,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@:2]([C:3]([H:12])([H:13])[H:14])([H:11])[C@@:4]1([C:5]([H:16])([H:17])[H:18])[H:15].[C:6](#[N:7])[H:8],"InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3/t6-/m0/s1","InChI=1S/C5H10.CHN/c1-4-3-5(4)2;1-2/h4-5H,3H2,1-2H3;1H/t4-,5-;/m1./s1",117.39771,33.60046,
7877,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:6]([C:4]([C:3]([H:12])([H:13])[H:14])([C:5]([H:16])([H:17])[H:18])[H:15])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3/t6-/m0/s1","InChI=1S/C6H11N/c1-4(2)6-5(3)7-6/h4-5H,1-3H3/t5-/m0/s1",150.96561,36.39183,
7878,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])/[C:6]1=[N:7]\[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3/t6-/m0/s1","InChI=1S/C6H11N/c1-4(2)5-3-6(5)7/h4-5,7H,3H2,1-2H3/b7-6+/t5-/m1/s1",108.05675,37.79906,
7879,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2](=[C:3]([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11],"InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3/t6-/m0/s1","InChI=1S/C5H7N.CH4/c1-3-5(2)4-6;/h3,5H,1H2,2H3;1H4/t5-;/m1./s1",115.43921,20.68284,
7880,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:13])([H:14])[N:7]([H:12])[C:6][C@@:4]1([C:5]([H:16])([H:17])[H:18])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3/t6-/m0/s1","InChI=1S/C6H11N/c1-5-3-7-4-6(5)2/h5-7H,3H2,1-2H3/t5-,6-/m0/s1",97.50336,44.13937,
7881,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C+:4]=[C:6]=[N-:7])[H:11])([H:8])([H:9])[H:10].[C:5]([H:15])([H:16])([H:17])[H:18],"InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3/t6-/m0/s1","InChI=1S/C5H7N.CH4/c1-5(2)3-4-6;/h5H,1-2H3;1H4",90.91436999999999,88.40716,
7882,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N:7]=[C:6]=[C:4]([C:5]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3/t6-/m0/s1","InChI=1S/C6H11N/c1-3-5-7-6-4-2/h3H,4,6H2,1-2H3",101.58573,31.164279999999998,
7883,[O:1]=[C:2]1[C@@:3]2([H:8])[N:4]([H:9])[C@:5]1([H:10])[C:6]([H:11])=[C:7]2[H:12],[O:1]=[C:2]1[C@@:3]([C:7](=[C:6])[H:12])([H:8])[N:4]([H:9])[C:5]1([H:10])[H:11],"InChI=1S/C5H5NO/c7-5-3-1-2-4(5)6-3/h1-4,6H/t3-,4+","InChI=1S/C5H5NO/c1-2-4-5(7)3-6-4/h2,4,6H,3H2/t4-/m0/s1",70.40165,59.968759999999996,
7884,[O:1]=[C:2]1[C@@:3]2([H:8])[N:4]([H:9])[C@:5]1([H:10])[C:6]([H:11])=[C:7]2[H:12],[O-:1][C:2]1=[C+:5][N:4]([H:9])[C@:3]1([C:7](=[C:6]([H:10])[H:11])[H:12])[H:8],"InChI=1S/C5H5NO/c7-5-3-1-2-4(5)6-3/h1-4,6H/t3-,4+","InChI=1S/C5H5NO/c1-2-4-5(7)3-6-4/h2,4,6H,1H2/t4-/m0/s1",71.20524,30.594140000000003,
7885,[O:1]=[C:2]1[C@@:3]2([H:8])[N:4]([H:9])[C@:5]1([H:10])[C:6]([H:11])=[C:7]2[H:12],[O+:1]#[C-:2].[c:3]1([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]([H:11])[c:7]1[H:12],"InChI=1S/C5H5NO/c7-5-3-1-2-4(5)6-3/h1-4,6H/t3-,4+",InChI=1S/C4H5N.CO/c1-2-4-5-3-1;1-2/h1-5H;,13.5242,-49.36742,
7886,[O:1]=[C:2]1[C@@:3]2([H:8])[N:4]([H:9])[C@:5]1([H:10])[C:6]([H:11])=[C:7]2[H:12],[O:1]([C@@:2]12[C@@:3]3([H:8])[N:4]1[C@:5]2([H:10])[C:6]([H:11])=[C:7]3[H:12])[H:9],"InChI=1S/C5H5NO/c7-5-3-1-2-4(5)6-3/h1-4,6H/t3-,4+","InChI=1S/C5H5NO/c7-5-3-1-2-4(5)6(3)5/h1-4,7H/t3-,4+,5+,6?",57.416940000000004,13.46222,
7887,[O:1]=[C:2]1[C@@:3]2([H:8])[N:4]([H:9])[C@:5]1([H:10])[C:6]([H:11])=[C:7]2[H:12],[O:1]=[C:2]1[C:3]([H:8])=[C:7]([H:12])[C@@:6]2([H:11])[N:4]([H:9])[C@@:5]12[H:10],"InChI=1S/C5H5NO/c7-5-3-1-2-4(5)6-3/h1-4,6H/t3-,4+","InChI=1S/C5H5NO/c7-4-2-1-3-5(4)6-3/h1-3,5-6H/t3-,5-/m1/s1",38.89328,-16.92823,
7888,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[O:4][H:11])[C-:5]=[O+:7][C:6]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4(5-6)3-7-2/h6H,1-2H3/b5-4+",74.36155,37.731359999999995,
7889,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]([N:3]([O:4][H:11])[H:10])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])[H:9],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4-6H,1-2H2/t4-/m1/s1",85.65217,14.58175,
7890,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2]([N:3]=[O:4])=[C:5](/[C:6]([O:7][H:11])([H:13])[H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4(5-7)2-3-6/h2,6H,3H2,1H3/b4-2-",80.54124,0.6046100000000001,
7891,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C+:2]([N:3]([O-:4])[H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4-5H,2H2,1H3/t4-/m1/s1",52.6357,14.389120000000002,
7892,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]([N:3]=[O:4])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H5NO2.H2/c1-3(5-6)4-2-7-4;/h4H,1-2H2;1H/t4-;/m1./s1",74.92694,46.4999,
7893,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:5](=[O:7])[H:12])[N:3]([O:4][H:11])[C:6]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4(3-6)2-5(4)7/h3,7H,2H2,1H3/t4-,5?/m1/s1",63.708119999999994,1.36314,
7894,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C-:2]([N:3]([O:4][H:11])[H:13])[C@@:5]1([H:12])[C:6]([H:14])=[O+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h2,4-6H,1H3/t4-/m1/s1",107.06048,74.33498,
7895,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([H:12])[O:7][C:6]([H:13])([H:14])[N:3]1[O:4][H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4-2-7-3-5(4)6/h2,6H,3H2,1H3",56.940380000000005,-5.32653,
7896,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[O:4][H:11])[O:7][C:6]([C:5][H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-3-7-4(2)5-6/h1,6H,3H2,2H3/b5-4+",90.85291,76.8745,
7897,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([O:7][C:6]([C:5](=[C:2]=[N:3][O:4][H:11])[H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-7-4-2-3-5-6/h2,6H,4H2,1H3",112.58665,16.713910000000002,
7898,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([N-:3][O:4][H:11])=[C:5]([O+:7]=[C:6]([H:13])[H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4(5-6)3-7-2/h3,6H,2H2,1H3",59.27953,43.46743,
7899,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([H:12])[N:3]1[O:4][H:11])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:13])[H:14],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C3H5NO.CH2O/c1-3-2-4(3)5;1-2/h2,5H,1H3;1H2",81.20109000000001,54.45658,
7900,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]([C:6][H:13])([O:7][H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-3(5-7)4(2)6/h2,4,6-7H,1H3/b5-3+/t4-/m1/s1",73.23203000000001,70.36299,
7901,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([N+:3]([O:4][H:11])=[C:6]([H:13])[H:14])=[C:5]([O-:7])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4(3-6)5(2)7/h3H,2H2,1H3,(H-,6,7)",63.706109999999995,15.7063,
7902,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:14])[N:3]([O:4][H:11])[C@:5]1([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-3-4(2-6)5(3)7/h2-4,7H,1H3/t3-,4-,5?/m0/s1",104.88315,1.96796,
7903,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([C:6]([O:7][H:12])([H:13])[H:14])[N:3]1[O:4][H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-3-4(2-6)5(3)7/h6-7H,2H2,1H3",67.75164000000001,34.257329999999996,
7904,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[O:4][H:11])[C:6]([C:5](=[O:7])[H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4(5-7)2-3-6/h3,7H,2H2,1H3/b5-4+",73.35741999999999,-23.49098,
7905,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[N:4]\[H:11])[O:7]/[C:6](=[N:5]/[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O2/c1-6-3(5)7-2-4/h2,4-5H,1H3/b4-2+,5-3+",62.395019999999995,22.65413,ketoenol
7906,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]12[N:4]([H:11])[O:7][C@@:6]1([H:13])[N:5]2[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O2/c1-6-3-2(4-3)7-5-3/h2,4-5H,1H3/t2-,3-/m1/s1",133.70216000000002,102.10048,
7907,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[N:4]\[H:11])/[N:5]=[C:6](/[O:7][H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)",44.91075,11.90179,ketoenol
7908,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:12])([H:8])([H:9])[H:10].[C:3](=[N:4][H:11])=[N:5][C:6](=[O:7])[H:13],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H2N2O.CH4O/c3-1-4-2-5;1-2/h2-3H;2H,1H3",57.040259999999996,29.8859,
7909,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:7]/[C:6](=[N:5]\[H:12])[H:13])([H:8])([H:9])[H:10].[O:2]=[C:3]=[N:4][H:11],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H5NO.CHNO/c1-4-2-3;2-1-3/h2-3H,1H3;2H/b3-2-;",97.24189,12.251660000000001,
7910,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([N:4]([C:3](=[O:2])[N:5]([C:6](=[O:7])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O2/c1-4-3(7)5-2-6/h2H,1H3,(H2,4,5,6,7)",56.48251,-17.62219,ketoenol
7911,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3]([N:4]([H:11])[H:12])=[N:5]\[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)",44.25016,8.428519999999999,
7912,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]#[N:4])([H:8])([H:9])[H:10].[N:5]([C:6](=[O:7])[H:13])([H:11])[H:12],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H3NO.CH3NO/c1-4-2-3;2-1-3/h1H3;1H,(H2,2,3)",77.81031999999999,23.684079999999998,
7913,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:9])[H:10].[C:3](=[N:4][H:11])=[N:5][C:6](=[O:7])[H:13].[H:8][H:12],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)",InChI=1S/C2H2N2O.CH2O.H2/c3-1-4-2-5;1-2;/h2-3H;1H2;1H,86.21342,52.26774,
7914,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[O:2]/[C:3](=[N:4]\[H:11])[N:5]([H:12])[C@:6]1([O:7][H:9])[H:13],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O2/c4-3-5-2(6)1-7-3/h2,6H,1H2,(H2,4,5)/t2-/m0/s1",92.16265,3.43462,
7915,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([O:2][C+:3]([N:4]([H:11])[H:13])[N-:5][H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H6N2O.CO/c1-5-2(3)4;1-2/h3H,4H2,1H3;",41.60338,12.83348,"1,2_Insertion_CO"
7916,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:6](=[O:7])[H:13])([H:8])([H:9])[H:10].[C:3](=[N:4][H:11])=[N:5][H:12],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H4O2.CH2N2/c1-4-2-3;2-1-3/h2H,1H3;2-3H",64.79273,15.972620000000001,
7917,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([N:4]([H:11])[H:13])([N:5]=[C:6]=[O:7])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h3H,4H2,1H3/t3-/m0/s1",112.61559,8.5899,
7918,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N+:5](=[C-:6][O:7][H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h4-6H,1H3/b4-3-",77.49334,42.3762,
7919,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]1=[N:7][C:6]#[C:5]1)([H:8])[H:9],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)","InChI=1S/C4H2N2O/c5-4(7)3-1-2-6-3/h(H2,5,7)",99.00358,98.76094,
7920,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]#[C:5][N+:7]#[C-:6])([H:8])[H:9],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)","InChI=1S/C4H2N2O/c1-6-3-2-4(5)7/h(H2,5,7)",61.56573,25.8037,
7921,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[N:1]1([H:9])[C:2](=[O:3])[C:4]1=[C:5]=[C:6]=[N:7][H:8],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)","InChI=1S/C4H2N2O/c5-2-1-3-4(7)6-3/h5H,(H,6,7)",85.27559000000001,53.794419999999995,
7922,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[N:1]([C:2]1=[O+:3][C-:5]=[C:4]1[N+:7]#[C-:6])([H:8])[H:9],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)",InChI=1S/C4H2N2O/c1-6-3-2-7-4(3)5/h5H2,92.75868,79.56317,
7923,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4](=[C:5])[C:6]#[N:7])([H:8])[H:9],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)","InChI=1S/C4H2N2O/c1-3(2-5)4(6)7/h(H2,6,7)",52.49768,53.5957,
7924,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[N:1]([C:2]#[C:4][C:5](=[O:3])[C:6]#[N:7])([H:8])[H:9],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)",InChI=1S/C4H2N2O/c5-2-1-4(7)3-6/h5H2,82.65116,17.55394,
7925,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C@@:1]12([H:8])[C:2]([H:10])([H:11])[C@@:3]13[N:4]=[C:5]([H:12])[C:6]([H:9])([H:13])[N:7]23,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-2-7-4-3-5(4,7)6-1/h1,4H,2-3H2/t4-,5+,7?/m1/s1",91.67848000000001,53.42171,
7926,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([N:4]=[C:5]=[C:6]([H:12])[H:13])=[N:7]1,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-2-6-5-3-4-7-5/h1,3-4H2",88.36785,24.70449,
7927,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C-:1]1([H:9])[C:2]([H:10])([H:11])[C:3]2=[N+:7]1[C:6]([H:8])([H:13])[C:5]([H:12])=[N:4]2,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2-3H,1,4H2",91.66129000000001,62.45844,
7928,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]2=[N+:4]=[C-:5][C:6]([H:12])([H:13])[N:7]12,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h1,3-4H2",73.56251999999999,62.20105,Singlet_Carbene_Intra_Disproportionation
7929,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C-:2]([H:10])[N+:7]12[C:3]([H:11])=[N:4][C:5]([H:12])=[C:6]2[H:13],"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-2-7(3-4-7)5-6-1/h1-3,5H,4H2",82.49115,69.87268,
7930,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c+:3]2[n:4]([H:12])[c-:5][c:6]([H:13])[n:7]21,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h4,6H,1,3H2",81.93704,48.37959,
7931,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[N:4]=[C:5]([H:12])[C:6]([H:13])=[N:7]2,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-2-5(1)6-3-4-7-5/h3-4H,1-2H2",28.10233,-2.9645099999999998,
7932,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:11])=[C:3]2[N:4]=[C:5]([H:12])[C:6]([H:10])([H:13])[N:7]12,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h1-2H,3-4H2",79.05973,31.7146,
7933,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:11])=[C:3]2[N:4]([H:10])[C:5]([H:12])=[C:6]([H:13])[N:7]12,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h1-2,4,6H,3H2",92.31633000000001,32.46618,
7934,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]#[N+:4][C:5]([H:12])=[C:6]([H:13])[N-:7]1,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-2-6-4-5-7-3-1/h4-5H,1-2H2",53.83671999999999,46.29611,
7935,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C-:1]([N+:7]1=[C:6]([H:13])[C:5]([H:12])=[N:4][C:3]1=[C:2]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-5-6-3-4-7(5)2/h3-4H,1-2H2",51.45228,25.95978,
7936,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C-:1]1([H:8])[C:2]([H:10])([H:11])[C:3]2=[N:4][C:5]([H:9])([H:12])[C:6]([H:13])=[N+:7]12,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h3-4H,1-2H2",109.75502,52.06718,
7937,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C@@:3]23[N:4]=[C:5]([H:12])[C@:6]2([H:13])[N:7]13,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-2-7-4-3-6-5(1,4)7/h3-4H,1-2H2/t4-,5-,7?/m0/s1",86.32935,67.16975,
7938,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C:2]1=[C:3]=[N+:4]([H:9])[N-:5][C:6]([H:10])=[N:7]1)[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h2,5H,(H-,4,6,7)",81.99799,33.23789,
7939,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C@@:2]1([C:3](=[N+:4]=[N-:5])[H:9])[C:6]([H:10])=[N:7]1)[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c4-6-2-3(7)1-5-3/h1-2,7H/t3-/m1/s1",97.5949,65.25385,
7940,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C:2]1=[C:3]=[N:4][N:5]=[C:6]([H:10])[N:7]1[H:9])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h2,7H,(H,4,6)",131.52608999999998,72.14206,
7941,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([N+:5]1=[C:6]([H:10])[N:7]=[C:2]=[C:3]([H:9])[N-:4]1)[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-6-3-4-1-2-5-6/h2-3,7H",155.79043000000001,105.28855,
7942,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]=[c:2]1[c:3]([H:9])[n:4][n:5]([H:8])[c:6]([H:10])[n:7]1,"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)",95.22918,0.63917,
7943,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C@:2]12[C:3]([H:9])=[N:4][N:5]1[C:6]([H:10])=[N:7]2)[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-1-5-6(3)2-4-3/h1-2,7H/t3-/m0/s1",88.51881,68.48849,
7944,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C:2]1=[C:3]([H:9])[N-:4][N+:5]([H:10])=[C:6]=[N:7]1)[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1,6-7H",82.48189,36.963609999999996,
7945,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]=[c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)",37.10944,0.51566,
7946,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]=[N:5][C:6]([H:10])=[N:7]1,"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h2H,1H2",74.99826999999999,30.973159999999996,ketoenol
7947,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C:2]1=[C:3]([H:9])[N-:4][N:5]=[C:6]=[N+:7]1[H:10])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H2N3O/c7-3-1-5-6-2-4-3/h1,7H/q-1/p+1",95.4159,61.17504,
7948,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C:2](=[C:3]([N:4]=[N-:5])[H:9])[N+:7]#[C:6][H:10])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c1-5-3(7)2-6-4/h1-2,7H",78.85284,73.41830999999999,
7949,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([c:2]1[c:3]([H:9])[n:4]2[n:5][c:6]([H:10])[n:7]12)[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-1-6-4-2-5(3)6/h1-2,7H",118.65643999999999,92.29619,
7950,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[C:6](#[N:7])[H:10].[N:4]#[N:5].[O:1]([C:2]#[C:3][H:9])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C2H2O.CHN.N2/c1-2-3;2*1-2/h1,3H;1H;",93.83364,24.9938,
7951,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C-:2]=[N:7][C:6](=[N:5][N+:4]#[C:3][H:9])[H:10])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c1-4-6-2-5-3-7/h1-2H,(H,5,6,7)",104.96273000000001,97.74842,
7952,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:4](=[C:3]=[N:7][N:6]=[N:5][H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-2-3-4-6-7-5/h3,5H,2H2,1H3",117.15587,55.05381,
7953,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@:4]1([H:13])[C:3]#[N+:7][N-:6][N:5]1[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h4,6H,2H2,1H3/t4-/m1/s1",97.10558,79.48765999999999,
7954,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2](=[C:3]1[C:4]([H:13])=[N+:5]([H:14])[N:6]=[N:7]1)[H:12].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)",InChI=1S/C3H2N3.CH4/c1-3-2-4-6-5-3;/h1-2H;1H4/q-1;/p+1,93.55159,88.58674,
7955,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N+:7]1=[C:3]=[C:4]([H:13])[N:5]([H:14])[N-:6]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-2-7-4-3-5-6-7/h3,5H,2H2,1H3",107.0347,44.15447,
7956,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1=[N:7][N:6]=[N:5][C:4]1([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h2-3H2,1H3",52.394859999999994,22.34356,
7957,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C+:4][N:5]([H:13])[H:14])[N:7]=[N-:6])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-2-4(3-5)7-6/h2,5H2,1H3",90.1949,47.88086,
7958,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:7]=[C:3]=[C:4]([N:5]([N:6])[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-2-6-3-4-7-5/h4,7H,2H2,1H3",108.33792,69.93288000000001,
7959,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C-:3](/[C:4](=[N:5]/[H:14])[H:13])[N+:7]#[N:6])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-2-4(3-5)7-6/h3,5H,2H2,1H3/b5-3+",34.03733,19.80951,
7960,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3]1/[C:4]([H:11])([H:13])[N:5]([H:14])[N:6]=[N:7]1)[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h2H,3H2,1H3,(H,5,6)/b4-2-",103.36010999999999,26.3643,
7961,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]#[C:4][H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[N:5](=[N+:6]=[N-:7])[H:14],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H6.HN3/c1-3-4-2;1-3-2/h1H,4H2,2H3;1H",90.01154,60.06325,
7962,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C-:5]2[C:6]([H:11])([H:12])[N+:7]12[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-4-6-1-3(6)2-7-4/h5-6H,1-2H2/b5-4-",78.44816,35.66679,
7963,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[H:9][H:10].[N:1](=[C:2]1\[O+:3]=[C-:4][C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H4N2O.H2/c5-3-4(1-6-4)2-7-3;/h5-6H,1H2;1H/b5-3-;/t4-;/m0./s1",92.75061,77.37082,
7964,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])\[C:5]1=[N:7]/[C:6]([H:11])([H:12])[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c1-6-3-2-7-4(3)5/h5H,2H2,1H3/b5-4-,6-3+",63.36798,-7.95136,
7965,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:10])=[C:5]1[C:6]([N:7]([H:9])[H:13])([H:11])[H:12])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-1-3-2-7-4(3)6/h2,6H,1,5H2/b6-4-",78.47813000000001,1.23763,
7966,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C:5][N:7]([H:13])[C:6]1([H:11])[H:12])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-4-3-6-1-2-7-4/h5-6H,2-3H2/b5-4-",72.26133,8.75545,
7967,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])/[C:5](=[N:7]\[H:13])[C:6]1([H:11])[H:12])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-3-1-4(6)7-2-3/h5-6H,1-2H2/b5-3-,6-4-",81.11374,-34.23536,
7968,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]1([N:7]([C:6][H:12])[H:13])[H:11])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c1-6-3-2-7-4(3)5/h1,3,5-6H,2H2/b5-4-/t3-/m0/s1",74.78017,32.90805,
7969,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C-:6]([H:11])[N+:7]2([H:12])[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h1,5H,2,6H2/b5-3-/t4-/m0/s1",64.61952,52.10246,
7970,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N-:1]([C:2]1=[C:5]([N:7]([C+:6]([H:11])[H:12])[H:13])[C:4]([H:9])([H:10])[O:3]1)[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c1-6-3-2-7-4(3)5/h5-6H,1-2H2",47.713809999999995,23.726470000000003,
7971,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1]([C:2]1=[O+:3][C-:4]([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h2,6H,1,5H2/t4-/m0/s1",107.14828,65.04128,
7972,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C:5][C:6]([H:11])([H:12])[N:7]1[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-4-6-2-1-3-7-4/h2-3H2,(H2,5,6)",78.44923,36.2972,
7973,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1]#[C:2][C@@:5]1([C:4]([O:3][H:8])([H:9])[H:10])[C:6]([H:11])([H:12])[N:7]1[H:13],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-1-4(3-7)2-6-4/h6-7H,2-3H2/t4-/m0/s1",68.85563,-9.94554,
7974,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1]([C:2]1=[O+:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N-:7]2)([H:8])[H:13],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h1-2,5H2/t4-/m0/s1",52.29611,45.40356,
7975,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])=[C:5]1[N:7]([C:6]([H:10])([H:11])[H:12])[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c1-6-3-2-7-4(3)5/h2,5-6H,1H3/b5-4-",109.43583999999998,4.98844,
7976,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1](=[C:2]1[N:3]=[C:4]([H:10])[C:5]([H:9])([H:11])[C:6]([H:12])=[N:7]1)[H:8],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h2-3,5H,1H2",91.28925,36.51235,
7977,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:3][C:4]([H:10])=[C+:5][C:6]([H:11])([H:12])[N-:7]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h2H,3H2,(H2-,5,6,7)",99.06277,101.40871,Singlet_Carbene_Intra_Disproportionation
7978,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]12[N:3]=[C:4]([H:10])[C:5]1([H:11])[C:6]([H:12])=[N:7]2)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-3(1-6-4)2-7-4/h1-3H,5H2",87.6734,82.1852,
7979,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:3][C:4]([H:10])=[C:5]=[C:6]([H:12])[N:7]1[H:11])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h2-3H,(H3,5,6,7)",119.71744,63.99089,
7980,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1](/[N:3]=[C:2]1/[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])=[N:7]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-7-4-2-1-3-6-4/h1-3H,5H2/b7-4-",134.60957,48.34677,
7981,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:5]1([H:11])[C:4]([H:10])=[N+:3]=[C-:2][N:7]=[C:6]1[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-2,4H,5H2",137.62812,101.05703000000001,
7982,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:3][C:4]([H:10])([H:12])[C:5]([H:11])=[C:6]=[N:7]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1H,2H2,(H2,5,6)",116.19618,71.21515,
7983,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:3][C@:4]2([H:10])[C:5]([H:11])=[C:6]([H:12])[N:7]12)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-3-1-2-7(3)4/h1-3H,(H2,5,6)/t3-/m0/s1",97.15436,76.23026,
7984,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N+:7]=[C-:6][C:5]([H:11])=[C:4]([H:10])[N:3]1[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-2,6H,5H2",127.12097,69.75974000000001,
7985,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]#[N+:3][C-:4]([C@@:5]1([H:11])[C:6]([H:12])=[N:7]1)[H:10])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-3-6-1-4-2-7-4/h1-2,4H,5H2/t4-/m0/s1",121.81878,100.51101,
7986,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1([H:11])[N-:3][C:4]([H:10])=[C+:5][C:6]([H:12])=[N:7]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h2-4H,5H2",125.8843,117.14594,
7987,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][N:3]1[C:4]1([H:10])[C:5]([H:11])=[C:6]1[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-7(4)3-1-2-3/h1-3H,(H2,5,6)",160.31704,130.76355,
7988,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C@@:2]12[N:3]3[C:4]([H:10])=[C:5]([H:11])[C@:6]1([H:12])[N:7]23)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-3-1-2-6(4)7(3)4/h1-3H,5H2/t3-,4+,6?,7?/m0/s1",112.45243,105.13654,
7989,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([c:2]1[n+:3]([H:10])[c-:4][c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-2,7H,(H2,5,6)",85.1855,46.13842,
7990,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C-:6]([H:14])[N+:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h5-6H,4,7H2,1H3/t6-/m0/s1",74.59558,55.02426,
7991,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3])[C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-5(2)3-6-4-7-6/h6-7H,3-4H2,1H3/t6-/m0/s1",57.86212,52.89233,
7992,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([C:5]([N:7]([C:6][H:14])[H:16])([H:13])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-3-4-5-6-7-2/h2,7H,5-6H2,1H3",70.42317,29.447770000000002,
7993,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]/[C:3](=[C:4](\[C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h3-4,6-7H,5H2,1H3/b4-3-/t6-/m0/s1",79.13264000000001,54.42885,
7994,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([H:11])[H:12])[H:14])([H:8])([H:9])[H:10].[C:5]1([H:13])=[C:6]([H:15])[N:7]1[H:16],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C4H6.C2H3N/c1-3-4-2;1-2-3-1/h4H,1H2,2H3;1-3H",86.95219,65.64591,Retroene
7995,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([C-:5]1[C:6]([H:14])([H:15])[N+:7]1([H:13])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h4-5,7H2,1H3",75.09911,54.77693000000001,
7996,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4](/[C:5](=[N:7]\[C:6]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-3-4-5-6-7-2/h6H,5H2,1-2H3/b7-6-",62.867290000000004,-8.856069999999999,
7997,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([H:11])[H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-3-5(2)6-4-7-6/h6-7H,1,4H2,2H3/t6-/m0/s1",94.10543,1.46935,
7998,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]=[C:4]([H:11])[H:12])([H:8])[H:9].[C:5]1([H:10])([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C4H4.C2H5N/c1-3-4-2;1-2-3-1/h1-2H2;3H,1-2H2",107.14841000000001,35.912209999999995,
7999,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]1[C:4]([H:11])([H:12])[C@@:5]2([H:13])[C@:6]1([H:15])[N:7]2[H:16])([H:8])[H:9].[H:10][H:14],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H7N.H2/c1-2-4-3-5-6(4)7-5;/h5-7H,1,3H2;1H/t5-,6+;/m0./s1",104.98535,41.43083,
8000,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3]/[C:4](=[C:5](/[C:6]([N:7]([H:11])[H:16])([H:14])[H:15])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-2-3-4-5-6-7/h4-5H,6-7H2,1H3/b5-4+",60.26511,-11.91399,
8001,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]2[C:4]([H:11])([H:12])[C@:5]12[H:13])([H:8])([H:9])[H:10].[C:6](=[N:7][H:16])([H:14])[H:15],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C5H6.CH3N/c1-3-4-2-5(3)4;1-2/h4H,2H2,1H3;2H,1H2/t4-;/m1./s1",88.03308,53.58503,
8002,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]([C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h3,6-7H,1,4-5H2/t6-/m0/s1",83.9959,3.63795,
8003,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([H:11])[H:12])[C:6](/[C:5](=[N:7]/[H:16])[H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-3-6(2)4-5-7/h5,7H,1,4H2,2H3/b7-5+",71.00971,-15.446670000000001,
8004,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([C+:5]([N:7]([C-:6]([H:14])[H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-3-4-5-6-7-2/h6-7H,2,5H2,1H3",55.504459999999995,26.23343,
8005,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][N:7]([C:6]([C:5](=[C:4]([H:11])[H:12])[H:13])([H:14])[H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-3-5-7-6-4-2/h3,7H,1,5H2,2H3",81.57441999999999,-0.7005899999999999,
8006,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h2,4,6-7H,5H2,1H3/t3?,6-/m0/s1",80.60755,1.60735,
8007,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:3][C:4]([H:11])([H:12])[C+:5]([H:13])[N:7]([H:16])[C:6]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-6-3-2-4-7-5-6/h4,7H,2,5H2,1H3",88.55168,30.53642,
8008,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C+:1]([C:2](=[C-:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h2,6-7H,1,4-5H2/t6-/m0/s1",83.76739,59.41628000000001,
8009,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][H:19])([H:8])([H:9])[H:10].[C@:3]1([C:4]([H:12])([H:13])[H:14])([H:11])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[O:7]1,"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O.CH4O/c1-4-2-3-5-4;1-2/h4H,2-3H2,1H3;2H,1H3/t4-;/m0./s1",77.81371,24.46423,
8010,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[O:2]=[C:3]([C:4]([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])([H:12])[H:14])[H:11],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O2.CH4/c5-3-1-2-4-6;/h3,6H,1-2,4H2;1H4",98.12914,0.9327700000000001,
8011,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([O:7][H:19])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10].[C:6]([H:17])[H:18],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H10O2.CH2/c1-4(3-5)6-2;/h4-5H,3H2,1-2H3;1H2/t4-;/m0./s1",127.11158999999999,111.84256,
8012,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C:4]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10].[C:3]([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C3H6O.C2H6O/c1-2-3-4;1-3-2/h1,4H,2-3H2;1-2H3",127.59738999999999,31.43737,
8013,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10].[C:6]([O:7][H:19])[H:18],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H10O.CH2O/c1-4(2)5-3;1-2/h4H,1-3H3;1-2H",86.89227,75.12038000000001,
8014,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][H:19])([H:8])([H:9])[H:10].[C:3]([C:4]([H:12])([H:13])[H:14])([C@:5]1([H:15])[C:6]([H:17])([H:18])[O:7]1)([H:11])[H:16],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O.CH4O/c1-2-4-3-5-4;1-2/h4H,2-3H2,1H3;2H,1H3/t4-;/m1./s1",80.73082,26.61494,
8015,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5](=[C:6]([H:17])[H:18])[H:15])[H:11])([H:8])([H:9])[H:10].[O:7]([H:16])[H:19],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O.H2O/c1-4-5(2)6-3;/h4-5H,1H2,2-3H3;1H2/t5-;/m0./s1",68.85842,14.331710000000001,"1,3_Insertion_ROR"
8016,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][H:19])([H:8])([H:9])[H:10].[C:3]([C:4]([H:12])([H:13])[H:14])(=[C:5]([H:15])[H:16])[H:11].[C:6](=[O:7])([H:17])[H:18],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C3H6.CH4O.CH2O/c1-3-2;2*1-2/h3H,1H2,2H3;2H,1H3;1H2",62.90192,34.092729999999996,
8018,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])[H:10].[C:4]([H:9])([H:12])([H:13])[H:14],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O2.CH4/c1-6-4-2-3-5;/h4-5H,1-3H2;1H4",92.66723,74.21244,
8019,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:7][C:6]([C:5]([C@@:3]([O:2][H:19])([C:4]([H:12])([H:13])[H:14])[H:11])([H:15])[H:16])([H:17])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H12O2/c1-5(6)3-4-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1",83.96988,-1.25882,
8020,[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C:4]=[C:5]([H:11])[H:12])[C:6]#[C:7][H:13])([H:9])[H:10])[H:8],"InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1-2,6-7H,5H2","InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1,7H,2,5H2",71.7692,-5.08253,
8021,[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C:7](=[C:6]=[C:3]([C:4]#[C:5][H:12])[H:11])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1-2,6-7H,5H2","InChI=1S/C6H6O/c1-2-3-4-5-6-7/h1,3,5,7H,6H2",69.44625,-4.98033,
8022,[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[C:4](/[C:5][H:12])[H:11])[C:6]#[C:7][H:13])([H:9])[H:10])[H:8],"InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1-2,6-7H,5H2","InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1-3,7H,5H2/b6-3+",71.74875,56.353359999999995,
8023,[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1](/[C:5](=[C:4]1\[C:2]([H:9])([H:10])[C@@:3]1([C:6]#[C:7][H:13])[H:11])[H:12])[H:8],"InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1-2,6-7H,5H2","InChI=1S/C6H6O/c1-2-5-3-6(5)4-7/h1,4-5,7H,3H2/b6-4+/t5-/m0/s1",77.34396,-2.31665,
8024,[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1([H:11])[C-:4]=[C:5]([H:12])[C:7]([H:13])=[C+:6]1)([H:9])[H:10])[H:8],"InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1-2,6-7H,5H2","InChI=1S/C6H6O/c7-5-6-3-1-2-4-6/h1-2,6-7H,5H2",80.04498000000001,60.16976,
8025,[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[C:3](=[C:4]=[C:5]([H:8])[H:12])([C:6]#[C:7][H:13])[H:11].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1-2,6-7H,5H2","InChI=1S/C5H4.CH2O/c1-3-5-4-2;1-2/h1,5H,2H2;1H2",39.30772,11.57906,Retroene
8026,[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@@:3]([C:6]#[C:7][H:13])([H:11])[C:4]1=[C:5]([H:8])[H:12],"InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1-2,6-7H,5H2","InChI=1S/C6H6O/c1-3-6-4-7-5(6)2/h1,6H,2,4H2/t6-/m0/s1",71.71093,-10.44433,
8027,[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([C:5](=[C:4])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1-2,6-7H,5H2","InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1,4,6-7H,5H2/t6-/m1/s1",58.34673000000001,49.82885,Singlet_Carbene_Intra_Disproportionation
8028,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N+:4]([C:6]#[N:7])([H:14])[C-:5]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-5-2-7(3-5)4-6/h2,5,7H,3H2,1H3/t5-/m1/s1",89.1711,80.96110999999999,
8029,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([N:4]([C:5]([C:6]#[N:7])([H:11])[H:15])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-2-4-7-5-3-6/h7H,4-5H2,1H3",82.22287,65.78618,
8030,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5]1=[C:6]=[N:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4,6-7H,3H2,1H3/t4-/m0/s1",90.3803,27.159979999999997,
8031,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:5](\[C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10].[C:3](=[N:4][H:14])([H:12])[H:13],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H5N.CH3N/c1-2-3-4-5;1-2/h2-3H,1H3;2H,1H2/b3-2-;",102.4082,8.01322,
8032,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([N:4]([C:5][H:15])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-5(3-6)4-7-2/h2,5,7H,4H2,1H3/t5-/m1/s1",86.77054,31.604129999999998,
8033,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]=[C:5]1[H:15])([H:8])([H:9])[H:10].[C:6]=[N:7][H:14],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H7N.CHN/c1-4-2-5-3-4;1-2/h2,4H,3H2,1H3;2H/t4-;/m1./s1",52.71961999999999,38.7452,
8034,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:5]([N:4]([C:3]([H:11])([H:12])[H:13])[H:14])([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-3-5(4-6)7-2/h5,7H,1-2H3/t5-/m1/s1",82.79347,70.46376,
8035,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([N:4]([C:5](=[C:6]=[N:7][H:10])[H:15])[H:14])([H:12])[H:13])[H:11])([H:8])[H:9],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-2-4-7-5-3-6/h2,5-7H,1,4H2",57.042840000000005,26.34716,
8036,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:5]([C:6]#[N:7])([H:10])[H:15])[H:11])([H:8])[H:9].[C:3](=[N:4][H:14])([H:12])[H:13],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H5N.CH3N/c1-2-3-4-5;1-2/h2H,1,3H2;2H,1H2",119.83365,12.40442,
8037,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]2([H:13])[N:4]([H:14])[C@@:5]1([H:15])[C:6][N:7]2[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-3-4-2-6-5(3)7-4/h3-7H,1H3/t3-,4+,5+/m1/s1",92.09664000000001,57.77196,
8038,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:5]([N:4]([C:3][H:13])[H:14])([C:6]#[N:7])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-3-5(4-6)7-2/h2,5,7H,3H2,1H3/t5-/m1/s1",81.92384,35.77847,
8039,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]1[C:3]([H:12])([H:13])[N+:4]([H:11])([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N2/c1-4-3-7-5(4)2-6/h5,7H,3H2,1H3/q-1/p+1/t5-/m0/s1",78.23863,70.67271,
8040,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([N+:4]1([H:14])[C:3]([H:12])([H:13])[C-:2]([H:11])[C@@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N2/c1-7-3-2-5(7)4-6/h2,5H,3H2,1H3/q-1/p+1/t5-/m1/s1",113.82988,75.61995999999999,
8041,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([N+:7]#[C-:6])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-4-3-7-5(4)6-2/h4-5,7H,3H2,1H3/t4-,5+/m0/s1",50.86652,19.09689,
8042,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:9])([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5]([H:15])=[C:6]=[N:7]1,"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-2-6-4-5-7-3-1/h4,6H,1-3H2",90.66493,29.431859999999997,
8043,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N:4]([C+:5]=[C:6]=[N-:7])[H:14])([H:12])[H:13])([H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-2-4-7-5-3-6/h7H,2,4H2,1H3",82.44455,22.89834,
8044,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([O:5][H:13])([C:6]1([H:14])[H:15])[C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:7]([H:13])([H:16])[H:17])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(7,3-5)4-5/h7H,2-4H2,1H3","InChI=1S/C6H10O/c1-6(2)3-5(7)4-6/h3-4H2,1-2H3",63.95482,-31.710590000000003,
8045,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([O:5][H:13])([C:6]1([H:14])[H:15])[C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([C:4]1([O:5][H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(7,3-5)4-5/h7H,2-4H2,1H3","InChI=1S/C6H10O/c1-2-3-6(7)4-5-6/h7H,3-5H2,1H3",115.1888,58.87777,
8046,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([O:5][H:13])([C:6]1([H:14])[H:15])[C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([C:4][O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(7,3-5)4-5/h7H,2-4H2,1H3","InChI=1S/C6H10O/c1-6(2-3-6)4-5-7/h7H,2-4H2,1H3",107.47482,30.9473,
8047,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([O:5][H:13])([C:6]1([H:14])[H:15])[C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4](=[O:5])[C@@:6]1([H:14])[C:7]2([H:16])[H:17])([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C6H10O/c1-5-2-6(7,3-5)4-5/h7H,2-4H2,1H3","InChI=1S/C6H8O.H2/c1-6-2-4(6)5(7)3-6;/h4H,2-3H2,1H3;1H/t4-,6+;/m1./s1",95.82307,3.9094599999999997,
8048,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([O:5][H:13])([C:6]1([H:14])[H:15])[C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:16])[C:3]([H:11])([H:12])[C@:4]([O:5][H:13])([C:7][H:17])[C:6]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(7,3-5)4-5/h7H,2-4H2,1H3","InChI=1S/C6H10O/c1-5-3-6(2,7)4-5/h2,5,7H,3-4H2,1H3/t5-,6+",79.72914,63.769180000000006,
8049,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1](=[C:2]=[C:3]1[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12])[H:8],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3,5H,2H2,(H,6,7)",90.82937,24.4832,
8050,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]1=[C:6]([H:11])[N:7]([H:12])[C@@:3]2([H:8])[C:2]1=[N:5][C:4]2([H:9])[H:10],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c1-3-4(5-1)7-2-6-3/h2-3H,1H2,(H,5,6,7)/t3-/m1/s1",123.26178999999999,38.12255,
8051,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])=[N:5][C-:6]([H:11])[N+:7]1([H:10])[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h2-4H,7H2/t4-/m0/s1",74.90836999999999,61.717969999999994,
8052,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C:3](/[C:4](=[N:5]\[C:6](=[N:7]\[H:12])[H:11])[H:9])([H:8])[H:10],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c5-2-1-3-7-4-6/h3-4,6H,1H2/b6-4+,7-3-",83.48955,11.2889,
8053,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N+:1](#[C-:2])[C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c1-5-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m1/s1",51.68165,18.68911,
8054,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C:4](/[N:5]=[C:6](\[N+:7](=[C-:3][H:8])[H:12])[H:11])([H:9])[H:10],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c1-6-4-7-3-2-5/h1,4,6H,3H2/b7-4-",91.71409,64.61671,
8055,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2]/[C:6](=[N:5]\[C:4](/[C:3](=[N:7]/[H:12])[H:8])([H:9])[H:10])[H:11],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c5-1-3-7-4-2-6/h1,4-5H,3H2/b5-1+,7-4-",66.5331,20.25861,
8056,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C-:3]1[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N+:7]1([H:8])[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3H,2,7H2",74.83462,56.27312,
8057,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])=[N:5][C:6]([H:10])([H:11])[N:7]1[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h2,4,7H,3H2/t4-/m0/s1",106.0893,9.700330000000001,
8058,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C@@:3]1([H:8])[C-:4]([H:10])[N:5]([H:9])[C+:6]([H:11])[N:7]1[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h2-4,6-7H/t4-/m0/s1",76.52464,49.225640000000006,
8059,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[C:3]1([H:8])=[N:7][C:6]([H:11])=[N:5][C:4]1([H:9])[H:10].[N:1](=[C:2])[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C3H4N2.CHN/c1-2-5-3-4-1;1-2/h1,3H,2H2;2H",54.44005,34.64734,
8060,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N-:1]=[C:2]=[C:3]1[C:4]([H:9])([H:10])[N:5]([H:8])[C+:6]([H:11])[N:7]1[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3,6-7H,2H2",66.08886,36.318540000000006,
8061,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]([H:11])[C:6][N:7]1[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h4,6-7H,2H2/t4-/m0/s1",65.08331,23.7464,
8062,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C:3]([N:7]([C:6](=[N+:5]=[C-:4][H:10])[H:11])[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c1-6-4-7-3-2-5/h1,4,7H,3H2",67.79415999999999,53.549009999999996,
8063,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N+:1](#[C-:2])[C:6](=[N:5][C:4](/[C:3](=[N:7]/[H:12])[H:8])([H:9])[H:10])[H:11],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c1-6-4-7-3-2-5/h2,4-5H,3H2/b5-2+,7-4?",70.74834,37.43316,
8064,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C@@:3]([C:4]([N+:5]#[C-:6])([H:9])[H:10])([N:7]([H:11])[H:12])[H:8],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c1-7-3-4(6)2-5/h4H,3,6H2/t4-/m0/s1",82.43888000000001,19.11745,
8065,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N-:1]=[C:2]=[C:3]([N:7]([C:6](=[N+:5]=[C:4]([H:9])[H:10])[H:11])[H:12])[H:8],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H4N3/c1-6-4-7-3-2-5/h3-4H,1H2/q-1/p+1",48.938340000000004,45.562540000000006,
8066,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[C:4](=[N+:5]=[C-:6][H:11])([H:9])[H:10].[N:1]#[C:2]/[C:3](=[N:7]\[H:12])[H:8],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C2H2N2.C2H3N/c3-1-2-4;1-3-2/h1,3H;1H,2H2/b3-1-;",77.98119,70.66765,
8067,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5][H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([O:7][H:19])([H:16])([H:17])[H:18],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C4H8O.CH4O/c1-3-4(2)5;1-2/h2,4-5H,3H2,1H3;2H,1H3/t4-;/m0./s1",129.56847,24.60143,
8068,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5](=[O:7])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([H:16])([H:17])([H:18])[H:19],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C4H8O2.CH4/c1-2-4(6)3-5;/h3-4,6H,2H2,1H3;1H4/t4-;/m1./s1",81.08279,7.9180399999999995,
8069,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O2.H2/c1-3-5(7)4(2)6;/h4,6H,3H2,1-2H3;1H/t4-;/m1./s1",80.52557,12.55995,
8070,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3](\[O:4][H:14])(=[C:5](/[C:6]([H:16])([H:17])[H:18])[O:7][H:19])[H:13].[H:9][H:15],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C3H6O2.C2H4.H2/c1-3(5)2-4;1-2;/h2,4-5H,1H3;1-2H2;1H/b3-2-;;",96.94012,49.50383,
8071,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[O:4][H:14])[H:13])[H:11])([H:8])([H:9])[H:10].[C:5]([C:6]([H:16])([H:17])[H:18])(=[O:7])[H:15].[H:12][H:19],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C3H6O.C2H4O.H2/c1-2-3-4;1-2-3;/h2-4H,1H3;2H,1H3;1H/b3-2+;;",86.78601,38.88525,
8072,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:4][H:14])([H:8])([H:9])[H:10].[C:2](=[C:3]([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C4H8O.CH4O/c1-3-4(2)5;1-2/h3-5H,1H2,2H3;2H,1H3/t4-;/m1./s1",115.38188000000001,29.7837,"1,3_Insertion_ROR"
8073,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:5](\[O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]([C:6]([H:16])([H:17])[H:18])[H:14],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C4H8O.CH4O/c1-2-3-4-5;1-2/h3-5H,2H2,1H3;2H,1H3/b4-3-;",117.67333,26.86733,"1,3_Insertion_ROR"
8074,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])([H:14])[H:15],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C3H6O.C2H6O/c1-2-3-4;1-2-3/h3H,2H2,1H3;3H,2H2,1H3",86.97328,15.281360000000001,
8075,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:19])([C:5]([C:6]([H:16])([H:17])[H:18])=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O2.H2/c1-3-5(7)4(2)6;/h5,7H,3H2,1-2H3;1H/t5-;/m1./s1",68.89871,12.643930000000001,
8076,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:5](\[C:6]([H:16])([H:17])[H:18])[O:7][H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]([H:14])[H:15],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O.H2O/c1-3-4-5(2)6;/h4,6H,3H2,1-2H3;1H2/b5-4+;",70.1256,10.2006,"1,3_Insertion_ROR"
8077,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([H:16])([H:17])[H:18])([H:13])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:14])[H:19],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O.H2O/c1-3-5(6)4-2;/h3-4H2,1-2H3;1H2",66.19564,-2.38997,
8078,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5](=[C:6]([H:16])[H:18])[O:7][H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:17],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O2.H2/c1-3-5(7)4(2)6;/h5-7H,2-3H2,1H3;1H/t5-;/m1./s1",108.05309,26.53247,
8079,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:4][H:14])([O:7][H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([C:6]([H:16])([H:17])[H:18])[H:15],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C3H8O2.C2H4/c1-2-3(4)5;1-2/h3-5H,2H2,1H3;1H,2H3",116.49313000000001,94.60007,
8080,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:5]([C:6]([H:16])([H:17])[H:18])=[O:7])([H:13])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]([H:14])[H:19],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O.H2O/c1-3-4-5(2)6;/h3-4H2,1-2H3;1H2",67.49046,-3.23985,
8081,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C:2]([C:3](=[O:4])[H:13])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])([H:11])[H:12],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C4H8O2.CH4/c1-4(6)2-3-5;/h3-4,6H,2H2,1H3;1H4/t4-;/m1./s1",97.44433000000001,7.60162,
8082,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:6]([C:5](=[O:7])[H:15])([H:16])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:17][H:19],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O2.H2/c1-2-5(7)3-4-6;/h4-5,7H,2-3H2,1H3;1H/t5-;/m1./s1",102.22586,20.43722,
8083,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:14])[H:19],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O.H2O/c1-3-5-4(2)6-5;/h4-5H,3H2,1-2H3;1H2/t4-,5-;/m1./s1",67.68244,21.267020000000002,
8084,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:19])([H:8])([H:9])[H:10].[C:3](=[O:4])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:14])[H:15])[H:13],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C3H6O2.C2H6/c1-3(5)2-4;1-2/h2-3,5H,1H3;1-2H3/t3-;/m1./s1",79.30152,10.33489,
8085,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3]([O:4][H:14])=[C:5](\[C:6]([H:16])([H:17])[H:18])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:13])[H:19],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O.H2O/c1-3-5(6)4-2;/h3,6H,4H2,1-2H3;1H2/b5-3+;",72.55986,10.652239999999999,"1,3_Insertion_ROR"
8086,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]#[N:3])([H:8])([H:9])[H:10].[O:4]([C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])[H:11],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C3H6O.C2H3N/c4-3-1-2-3;1-2-3/h3-4H,1-2H2;1H3",55.276819999999994,4.93631,
8087,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]#[N:3])([H:8])([H:9])[H:10].[O:4]=[C:5]([C:7]([C:6]([H:11])([H:13])[H:14])([H:15])[H:16])[H:12],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C3H6O.C2H3N/c1-2-3-4;1-2-3/h3H,2H2,1H3;1H3",45.72183,-13.56265,
8088,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([N:3]([H:10])[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])[H:9],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5H,1-3,6H2",61.65538000000001,7.79188,
8089,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]#[N:3])([H:8])([H:9])[H:10].[H:11][H:12].[O:4]=[C:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-",InChI=1S/C3H4O.C2H3N.H2/c4-3-1-2-3;1-2-3;/h1-2H2;1H3;1H,69.67468000000001,33.21209,
8090,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[H:11])[C:7]([C:6]([C:5](=[O:4])[H:12])([H:13])[H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C5H9NO/c1-5(6)3-2-4-7/h4,6H,2-3H2,1H3/b6-5-",75.84532,-14.47949,
8091,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[H:11])[O:4][C@:5]([C:6][H:13])([C:7]([H:14])([H:15])[H:16])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C5H9NO/c1-4(2)7-5(3)6/h1,4,6H,2-3H3/b6-5-/t4-/m1/s1",67.88077,69.30005,
8092,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([N:3]([C-:2]=[O+:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C5H9NO/c1-6-4-7-5-2-3-5/h5-6H,2-3H2,1H3",90.30100999999999,33.86342,
8093,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:6]([C:5](=[C:7]([H:15])[H:16])[H:12])([H:13])[H:14])[H:11])=[O:4])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C5H9NO/c1-3-4-6-5(2)7/h3H,1,4H2,2H3,(H,6,7)",65.1012,-22.07786,
8094,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])[H:11])=[O:4])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C5H9NO/c1-4(7)6-5-2-3-5/h5H,2-3H2,1H3,(H,6,7)",57.60188,-19.139470000000003,ketoenol
8095,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([H:11])[H:13])=[O:4])([H:8])([H:9])[H:10].[C:5]1([H:12])=[C:6]([H:14])[C:7]1([H:15])[H:16],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C3H4.C2H5NO/c1-2-3-1;1-2(3)4/h1-2H,3H2;1H3,(H2,3,4)",62.92493,22.636429999999997,Retroene
8096,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[O+:4][C-:5]([H:12])[C:7]([H:15])([H:16])[C:6]([H:13])([H:14])[N:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C5H9NO/c1-5-6-3-2-4-7-5/h4,6H,2-3H2,1H3",78.05009,41.30345,
8097,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[N:3](\[C:4]([H:13])([H:14])[H:15])=[C:5](/[O:6][H:10])[C:7]([H:16])([H:17])[H:18],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C3H7NO.C2H4/c1-3(5)4-2;1-2/h1-2H3,(H,4,5);1-2H2",59.63251999999999,29.829629999999998,Retroene
8098,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]1[C:5]([C:4]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[O:6]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C5H11NO/c1-4-6-5(2,3)7-6/h4H2,1-3H3",110.82191999999999,57.9449,
8099,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5]([O:6][H:17])=[C:7]([H:16])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h7H,2,4H2,1,3H3",60.663169999999994,24.30772,ketoenol
8100,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]=[C:4]([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[O:6])([C:7]([H:16])([H:17])[H:18])[H:15],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C3H7N.C2H4O/c1-3-4-2;1-2-3/h2-3H2,1H3;2H,1H3",90.54414,35.876090000000005,
8101,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N+:3]([C-:4]([H:13])[H:14])([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h6H,3-4H2,1-2H3",88.05816,74.01005,
8102,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[N:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:10],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C3H7NO.C2H4/c1-3(5)4-2;1-2/h1-2H3,(H,4,5);1-2H2",83.7915,19.17952,
8103,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]([H:11])([H:12])[N:3]([C:4]([H:13])([H:14])[H:15])[C@:5]([C:7]([H:16])([H:17])[H:18])([H:10])[O:6]1,"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C5H11NO/c1-5-6(2)3-4-7-5/h5H,3-4H2,1-2H3/t5-/m1/s1",118.35403000000001,23.37221,
8104,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:6][C:5](=[N+:3]([C-:2]([H:11])[H:12])[C:4]([H:13])([H:14])[H:15])[C:7]([H:16])([H:17])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C5H11NO/c1-5(7-4)6(2)3/h2H2,1,3-4H3",103.28302,75.35385,
8105,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([N+:3]([C-:2]([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C5H11NO/c1-5(7)6(2,3)4/h2H2,1,3-4H3",126.39478000000001,80.18889,
8106,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:8])([H:9])[H:10].[C:2](=[N:3][C:4]([H:13])([H:14])[H:15])([H:11])[H:12],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C3H6O.C2H5N/c1-3(2)4;1-3-2/h1-2H3;1H2,2H3",106.73138,28.49225,
8107,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2]([N+:3](=[C:4]([H:13])[H:14])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12].[C:1]([H:8])([H:9])([H:10])[H:15],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C4H7NO.CH4/c1-4(6)5(2)3;/h2-3H2,1H3;1H4",94.90314000000001,65.37194000000001,
8108,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[C:5](/[O:6][C:4]([H:13])([H:14])[H:15])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C5H11NO/c1-4-6-5(2)7-3/h4H2,1-3H3/b6-5+",73.64938000000001,16.13689,ketoenol
8109,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:6]/[C:5](=[N:3]/[C:4]([H:13])([H:14])[H:15])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C5H11NO/c1-4-7-5(2)6-3/h4H2,1-3H3/b6-5+",71.42766,15.25809,ketoenol
8110,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]([C:3]([O-:4])=[C:5]([C:6]([H:13])([H:14])[H:15])[H:12])([C:7]([H:16])([H:17])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4,7H,1-3H3",112.27328,49.03499,
8111,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][H:11])([H:9])[H:10].[C:3](=[O:4])([C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:8],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C4H8O.CH3N/c1-4(2)3-5;1-2/h3-4H,1-2H3;2H,1H2",91.65226,38.510090000000005,
8112,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C+:1]([N:2]([C@:3]1([O-:4])[C@:5]([C:6]([H:13])([H:14])[H:15])([H:12])[C:7]1([H:17])[H:18])[H:11])([H:9])[H:10].[H:8][H:16],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C5H9NO.H2/c1-4-3-5(4,7)6-2;/h4,6H,2-3H2,1H3;1H/t4-,5+;/m0./s1",109.70621000000001,95.02297,
8113,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([O-:4])=[C+:5][C:7]([H:16])([H:17])[H:18])[H:11])([H:8])([H:9])[H:10].[C:6]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C4H7NO.CH4/c1-3-4(6)5-2;/h5H,1-2H3;1H4",91.83689,86.28577,
8114,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C@:3]1([H:12])[O:4][C:5]1([C:6]([H:13])([H:14])[H:15])[C:7]([H:16])([H:17])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C5H11NO/c1-5(2)4(6-3)7-5/h4,6H,1-3H3/t4-/m1/s1",94.93773,42.49589,
8115,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3][O:4][H:15])[H:11])([H:8])([H:9])[H:10].[C:5](=[C:6]([H:13])[H:14])([C:7]([H:16])([H:17])[H:18])[H:12],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C3H6.C2H5NO/c1-3-2;1-3-2-4/h3H,1H2,2H3;3-4H,1H3",76.70021,66.0829,
8116,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3]([O:4][C:6]([H:13])([H:14])[H:15])=[C:5](/[C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C5H11NO/c1-4-5(6-2)7-3/h4,6H,1-3H3/b5-4-",105.94022,41.07618,ketoenol
8117,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([O:4][H:12])=[C:5]([C:6]([H:13])([H:14])[H:15])[C:7]([H:16])([H:17])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h6-7H,1-3H3",66.75929000000001,26.786590000000004,ketoenol
8118,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]1\[O:4][C:5]1([C:6]([H:13])([H:14])[H:15])[C:7]([H:16])([H:17])[H:18])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)",InChI=1S/C5H9NO.H2/c1-5(2)4(6-3)7-5;/h1-3H3;1H/b6-4-;,93.6466,60.270480000000006,
8119,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]=[O:4])([H:8])([H:9])[H:10].[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])([H:11])[H:12],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C3H8.C2H3NO/c1-3-2;1-3-2-4/h3H2,1-2H3;1H3",81.02197,14.410739999999999,
8120,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([O:4]/[C:3](=[N:2]/[H:11])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C5H11NO/c1-4(2)5(6)7-3/h4,6H,1-3H3/b6-5+",75.91284,16.17299,ketoenol
8121,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C@@:3]1([O:4][H:15])[C@@:5]([C:7]([H:16])([H:17])[H:18])([H:12])[C:6]1([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C5H11NO/c1-4-3-5(4,7)6-2/h4,6-7H,3H2,1-2H3/t4-,5+/m1/s1",79.86146,40.78395,
8122,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]1([C:7]([H:16])([H:17])[H:18])[H:12])([H:8])([H:9])[H:10].[C:6]([H:11])([H:13])([H:14])[H:15],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C4H7NO.CH4/c1-3-4(5-2)6-3;/h3H,1-2H3;1H4/b5-4-;/t3-;/m1./s1",96.15586,53.25005,
8123,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C-:1]([N+:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])([H:8])[H:11])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,3,6H2,1-2H3",95.13614,79.40154,
8124,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C+:1]([N:2]([C:3]([O-:4])=[C:5]([C:6]([H:13])([H:14])[H:15])[C:7]([H:16])([H:17])[H:18])[H:11])([H:9])[H:10].[H:8][H:12],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C5H9NO.H2/c1-4(2)5(7)6-3;/h6H,3H2,1-2H3;1H",95.5001,73.33763,
8125,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[N:2](=[C:3]=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C4H7NO.CH4/c1-4(2)5-3-6;/h4H,1-2H3;1H4",88.12954,7.54148,
8126,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]1([H:8])([H:9])[O:2][C:3]([H:10])=[C:4]([H:12])[C@:5]1([C:6]([O:7][H:11])([H:14])[H:15])[H:13],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c6-3-5-1-2-7-4-5/h1-2,5-6H,3-4H2/t5-/m0/s1",68.36357,4.89562,
8127,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]1([H:8])([H:9])[O:2][C:3]([H:10])=[O+:7][C-:6]([H:14])[C@@:5]1([C:4]([H:11])([H:12])[H:15])[H:13],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5-2-6-4-7-3-5/h2,4-5H,3H2,1H3/t5-/m0/s1",106.9464,60.408809999999995,
8128,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C@@:1]12([H:8])[O:2][C@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]2([C:6]([O:7][H:9])([H:14])[H:15])[H:13],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c6-2-3-1-4-5(3)7-4/h3-6H,1-2H2/t3-,4+,5-/m0/s1",107.05227,33.7176,
8129,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1](=[O:2])([H:8])[H:9].[C:3]([C:4]([C:5](=[C:6]([H:14])[H:15])[H:13])([H:11])[H:12])(=[O:7])[H:10],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C4H6O.CH2O/c1-2-3-4-5;1-2/h2,4H,1,3H2;1H2",77.37136,25.128120000000003,
8130,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C-:1]([O+:2]=[C:3]([O:7][C:6]([C:5](=[C:4]([H:11])[H:12])[H:13])([H:14])[H:15])[H:10])([H:8])[H:9],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-3-4-7-5-6-2/h3,5H,1-2,4H2",91.30001999999999,87.54823,
8131,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]([O:2][C:3](=[O:7])[H:10])([C:5](=[C:4]([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:8])[H:9],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5(2)3-7-4-6/h4H,1,3H2,2H3",86.37879000000001,-8.37637,
8132,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]1([H:8])([H:9])[O:2][C:6]([H:14])([H:15])[C:5]1([C:4]([C:3](=[O:7])[H:10])([H:11])[H:12])[H:13],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c6-2-1-5-3-7-4-5/h2,5H,1,3-4H2",84.97213,18.2545,
8133,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]([O+:2]=[C-:3][H:10])([C:5]1([H:13])[C:4]([H:11])([H:12])[O:7][C:6]1([H:14])[H:15])([H:8])[H:9],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-6-2-5-3-7-4-5/h1,5H,2-4H2",130.49213999999998,81.8436,
8134,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1](=[O:2])([H:8])[H:9].[C:3]1([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C:6]([H:14])([H:15])[O:7]1,"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C4H6O.CH2O/c1-2-4-5-3-1;1-2/h1-2H,3-4H2;1H2",91.16748,26.654529999999998,
8135,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1](=[C:5]([C:6]([O:7][C@:3]1([H:10])[O:2][C:4]1([H:11])[H:12])([H:14])[H:15])[H:13])([H:8])[H:9],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-2-3-6-5-4-7-5/h2,5H,1,3-4H2/t5-/m1/s1",111.5684,33.89139,
8136,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]1([H:8])([H:9])[O:2][C@:3]2([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C-:6]=[O+:7]2.[H:14][H:15],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O2.H2/c1-4-2-6-5(1)7-3-4;/h4-5H,1-2H2;1H/t4-,5+;/m1./s1",86.15359000000001,68.04833,
8137,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]1([H:8])([H:9])[O+:2]=[C-:3][C:4]([H:11])([H:12])[C@:5]1([C:6]([O:7][H:10])([H:14])[H:15])[H:13],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c6-3-5-1-2-7-4-5/h5-6H,1,3-4H2/t5-/m0/s1",70.38654,44.60658,
8138,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]1([H:8])([H:9])[O:2][C@:3]([O:7][H:14])([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6][H:15])[H:13],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-4-2-5(6)7-3-4/h1,4-6H,2-3H2/t4-,5-/m1/s1",79.50407,76.05767,
8139,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]([O:2][C@:3]1([H:10])[C:4]([H:11])([H:12])[C:5][C:6]([H:14])([H:15])[O:7]1)([H:8])([H:9])[H:13],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-6-5-3-2-4-7-5/h5H,3-4H2,1H3/t5-/m0/s1",80.81302,75.13533000000001,
8140,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]1([H:8])([H:9])[O+:2]=[C-:3][O:7][C:6]([H:14])([H:15])[C:5]1([C:4]([H:10])([H:11])[H:12])[H:13],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5-2-6-4-7-3-5/h5H,2-3H2,1H3",75.17524,32.5023,
8141,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]1([H:8])([H:9])[O:2][C:3]([C:4]([H:11])([H:12])[H:13])([H:10])[O:7][C:6]([H:14])([H:15])[C:5]1,"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5-6-3-2-4-7-5/h5H,3-4H2,1H3",80.81761,73.89438,
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8144,[C:1]([C@:2]12[C@@:3]3([H:11])[C@:4]4([H:12])[C@@:5]3([H:13])[C@@:6]1([H:14])[C@:7]24[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C@:3]3([H:11])[C@:4]([H:12])([C:5]([H:13])=[C:6]1[H:14])[C@:7]23[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-7-4-2-3(4)6(7)5(2)7/h2-6H,1H3/t2-,3+,4-,5+,6-,7+","InChI=1S/C7H8/c1-7-3-2-4-5(7)6(4)7/h2-6H,1H3/t4-,5+,6-,7+",51.241170000000004,-36.49883,
8145,[C:1]([C@:2]12[C@@:3]3([H:11])[C@:4]4([H:12])[C@@:5]3([H:13])[C@@:6]1([H:14])[C@:7]24[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C@:3]3([H:11])[C@@:4]1([H:12])[C@@:7]2([H:15])[C:6]([H:14])=[C:5]3[H:13])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-7-4-2-3(4)6(7)5(2)7/h2-6H,1H3/t2-,3+,4-,5+,6-,7+","InChI=1S/C7H8/c1-7-4-2-3-5(7)6(4)7/h2-6H,1H3/t4-,5+,6-,7+",51.77306,-37.659729999999996,
8146,[C:1]([C@:2]12[C@@:3]3([H:11])[C@:4]4([H:12])[C@@:5]3([H:13])[C@@:6]1([H:14])[C@:7]24[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]([H:12])([C@:5]3([H:13])[C:6]1)[C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-7-4-2-3(4)6(7)5(2)7/h2-6H,1H3/t2-,3+,4-,5+,6-,7+","InChI=1S/C7H8/c1-7-2-4-5(3-7)6(4)7/h4-6H,2H2,1H3/t4-,5+,6-,7+/m1/s1",50.2602,4.95611,
8147,[C:1]([C@:2]12[C@@:3]3([H:11])[C@:4]4([H:12])[C@@:5]3([H:13])[C@@:6]1([H:14])[C@:7]24[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3][C@@:4]3([H:12])[C:5]([H:11])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-7-4-2-3(4)6(7)5(2)7/h2-6H,1H3/t2-,3+,4-,5+,6-,7+","InChI=1S/C7H8/c1-7-3-4-2-5(7)6(4)7/h4-6H,2H2,1H3/t4-,5-,6+,7-/m1/s1",51.047290000000004,4.33279,
8148,[C:1]([C@:2]12[C@@:3]3([H:11])[C@:4]4([H:12])[C@@:5]3([H:13])[C@@:6]1([H:14])[C@:7]24[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:10])([H:11])[C@@:4]2([H:12])[C:5]([H:13])=[C:6]([H:14])[C@@:7]12[H:15])([H:8])[H:9],"InChI=1S/C7H8/c1-7-4-2-3(4)6(7)5(2)7/h2-6H,1H3/t2-,3+,4-,5+,6-,7+","InChI=1S/C7H8/c1-5-4-6-2-3-7(5)6/h2-3,6-7H,1,4H2/t6-,7+/m1/s1",86.84999,-36.43927,
8149,[C:1]([C@:2]12[C@@:3]3([H:11])[C@:4]4([H:12])[C@@:5]3([H:13])[C@@:6]1([H:14])[C@:7]24[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C@@:4]2([H:12])[C@@:5]3([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-7-4-2-3(4)6(7)5(2)7/h2-6H,1H3/t2-,3+,4-,5+,6-,7+","InChI=1S/C7H8/c1-3-2-4-6-5(3)7(4)6/h2,4-7H,1H3/t4-,5+,6-,7+",51.98025,-37.27213,
8150,[C:1]([C@:2]12[C@@:3]3([H:11])[C@:4]4([H:12])[C@@:5]3([H:13])[C@@:6]1([H:14])[C@:7]24[H:15])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:6]([H:14])[c:5]([H:13])[c:3]([H:11])[c:4]([H:12])[c:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-7-4-2-3(4)6(7)5(2)7/h2-6H,1H3/t2-,3+,4-,5+,6-,7+","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",57.205830000000006,-109.81045,
8151,[C:1]([C@:2]12[C@@:3]3([H:11])[C@:4]4([H:12])[C@@:5]3([H:13])[C@@:6]1([H:14])[C@:7]24[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:13])[C@@:4]3([H:12])[C:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-7-4-2-3(4)6(7)5(2)7/h2-6H,1H3/t2-,3+,4-,5+,6-,7+","InChI=1S/C7H8/c1-7-3-4-2-5(7)6(4)7/h4-6H,3H2,1H3/t4-,5-,6+,7-/m1/s1",51.18442,5.5567400000000005,
8152,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C:2][C:3]([C@@:4]1([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15])([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-5-4-6-2-1-3-6/h1-2,6-7H,3-4H2/t6-/m1/s1",55.40178,35.946020000000004,
8153,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C:2]1=[C:7]([H:15])[C@@:4]([C:5](=[C:6]([H:12])[H:14])[H:13])([H:11])[C:3]1([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c1-2-5-3-6(7)4-5/h2-3,5,7H,1,4H2/t5-/m0/s1",94.20057,-16.61684,
8154,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C:2]12[C:3]([H:9])([H:10])[C:4]([H:11])([C:5]([H:12])([H:13])[C:6]1)[C:7]2([H:14])[H:15])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-6-2-1-5(3-6)4-6/h5,7H,1,3-4H2",53.731640000000006,37.029920000000004,
8155,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1](/[C:2](=[C:3](/[C@@:4]1([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15])[H:9])[H:10])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-5-4-6-2-1-3-6/h1-2,4-7H,3H2/b5-4+/t6-/m1/s1",91.39478000000001,-12.53626,
8156,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C@@:7]1([H:15])[C@@:4]2([H:11])[C:3]([H:9])([H:10])[C:2][C@:6]1([H:14])[C:5]2([H:12])[H:13])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-6-4-1-2-5(6)3-4/h4-7H,1,3H2/t4-,5+,6-/m0/s1",87.56739,43.09928,
8157,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C:7]2([H:11])[H:15])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-6-3-1-2-5(6)4-6/h5,7H,2-4H2/t5-,6-/m1/s1",68.0776,38.90967,
8158,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C@:2]12[C:3]([H:9])([H:10])[C@@:4]1([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]2[H:15])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-6-3-1-2-5(6)4-6/h1,3,5,7H,2,4H2/t5-,6-/m1/s1",64.45877,-29.11686,
8159,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C:2][C@@:7]1([H:15])[C@@:4]2([H:11])[C:3]([H:9])([H:10])[C@:6]1([H:14])[C:5]2([H:12])[H:13])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-3-6-4-1-5(6)2-4/h4-7H,1-2H2/t4-,5+,6-",103.72131999999999,49.66299,
8160,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C:2]1=[C:6]([H:14])[C:5]([H:12])([H:13])[C@:4]2([H:11])[C:3]([H:9])([H:10])[C@:7]12[H:15])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h2,4-5,7H,1,3H2/t4-,5+/m1/s1",76.3531,-33.99252,
8161,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C@:2]1([C:6](=[C:5]([H:12])[H:13])[H:14])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:7]1[H:15])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c1-2-6(7)4-3-5-6/h2-4,7H,1,5H2/t6-/m0/s1",59.63349,-10.00463,
8162,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C@@:2]1([H:15])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C:7]2)[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-6-3-4-1-5(6)2-4/h4-7H,1,3H2/t4-,5+,6-/m0/s1",58.88794,39.54973,
8163,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C:2]1=[C:6]2[C:5]([H:12])([H:13])[C:4]([H:11])([C:3]1([H:9])[H:10])[C:7]2([H:14])[H:15])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-6-3-4-1-5(6)2-4/h4,7H,1-3H2",53.74228000000001,34.6166,
8164,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C@:2]1([C:3]([H:9])([H:10])[H:12])[C@@:6]2([H:14])[C:5]([H:13])=[C:4]([H:11])[C@@:7]12[H:15])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c1-6(7)4-2-3-5(4)6/h2-5,7H,1H3/t4-,5+,6+",103.20996,4.3211,
8165,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C:2]1([C:3]([C:4](=[C:5]([H:12])[H:13])[H:11])([H:9])[H:10])[C:6]([H:14])=[C:7]1[H:15])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c1-2-3-6(7)4-5-6/h2,4-5,7H,1,3H2",70.22834,12.56862,
8166,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C@:2]1([H:14])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C:6][C@@:7]12[H:15])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-6-3-4-1-2-5(4)6/h4-7H,1,3H2/t4-,5-,6-/m1/s1",63.267759999999996,59.78676,
8167,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]=[C:2]1[C@:6]2([H:14])[C:5]([H:12])([H:13])[C@@:4]([C:3]([H:8])([H:9])[H:10])([H:11])[C@:7]12[H:15],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c1-3-2-4-5(3)6(4)7/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1",75.37945,-9.95915,
8168,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]=[C:2]1[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C:7]2([H:8])[H:15],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-6-3-4-1-5(6)2-4/h4-5H,1-3H2/t4-,5+",58.680319999999995,-39.37878,
8169,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C@:2]12[C:3]([H:9])=[C:4]([H:11])[C@@:7]1([H:15])[C@:6]2([C:5]([H:10])([H:12])[H:13])[H:14])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c1-4-5-2-3-6(4,5)7/h2-5,7H,1H3/t4-,5+,6+/m1/s1",103.50124,7.2624,
8170,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]1([H:8])([H:9])[C-:2]([H:10])[O+:3]=[C:4]([H:11])[C@@:7]1([C:6](=[C:5]([H:12])[H:13])[H:14])[H:15],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-2-6-3-4-7-5-6/h2,4-6H,1,3H2/t6-/m1/s1",60.804359999999996,34.85283,
8171,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1](=[C:2]([O:3][C@:4]1([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15])[H:10])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-2-7-6-4-3-5-6/h2-4,6H,1,5H2/t6-/m0/s1",85.37224,1.72718,
8172,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O+:3]=[C-:4][C:5]([H:12])([H:13])[C@@:6]2([H:14])[C:7]1([H:11])[H:15],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-2-6-5(1)3-4-7-6/h5-6H,1-3H2/t5-,6-/m1/s1",64.18744000000001,17.18854,
8173,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]1([H:8])([H:9])[C@:2]([O+:3]=[C-:4][H:11])([H:10])[C@@:6]2([H:14])[C:5]([H:12])([H:13])[C@@:7]12[H:15],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-7-6-3-4-2-5(4)6/h1,4-6H,2-3H2/t4-,5-,6+/m0/s1",137.55664,50.17137,
8174,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]1([H:8])([H:9])[C-:2]([H:10])[O+:3]=[C:4]([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-2-4-6-7-5-3-1/h1-2,5-6H,3-4H2",89.69888,33.45494,
8175,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]1([H:8])([H:9])[O:3][C@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]([C:2][H:10])([H:14])[C@:7]12[H:15],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-4-2-6-5(4)3-7-6/h1,4-6H,2-3H2/t4-,5-,6+/m0/s1",109.9098,88.52085,
8176,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:14])[O:3][C@:4]2([H:11])[C:5]([H:12])([H:13])[C:6][C@:7]12[H:15],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-2-6-5(1)3-4-7-6/h5-6H,2-4H2/t5-,6-/m1/s1",63.191280000000006,54.43841,
8177,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]([C@:7]1([H:15])[C@:4]2([H:11])[O:3][C:2]([H:10])=[C:6]1[C:5]2([H:12])[H:13])([H:8])([H:9])[H:14],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-4-5-2-6(4)7-3-5/h3-4,6H,2H2,1H3/t4-,6+/m0/s1",121.32651000000001,60.48359,
8178,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C:4]([H:11])([H:13])[C@:7]1([H:15])[C@@:6]2([C:5][H:12])[H:14],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-4-5-2-6(4)7-3-5/h1,4-6H,2-3H2/t4-,5+,6+/m0/s1",78.38633,73.36886,
8179,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]1([H:8])([H:9])[C:2][C@@:6]2([H:14])[C:5]([H:12])([H:13])[C@:4]([O:3][H:10])([H:11])[C@@:7]12[H:15],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c7-6-3-4-1-2-5(4)6/h4-7H,2-3H2/t4-,5-,6+/m0/s1",76.38285,62.73826,
8180,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]([H:11])([C:5]([H:12])([H:13])[C:6]2([H:14])[H:15])[C:7]1,"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-2-6-4-3-5(1)7-6/h5-6H,1-3H2/t5-,6+/m0/s1",65.89744,31.44278,
8181,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]([C@@:2]1([H:10])[O:3][C@:4]2([H:11])[C:5]([H:12])([H:13])[C@:6]12[H:14])([C:7][H:15])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-2-5-4-3-6(4)7-5/h1,4-6H,2-3H2/t4-,5-,6-/m1/s1",100.54875,86.80239,
8182,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[C:4](/[C:5][H:12])[H:11])[C:6]#[N:7])([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1-2,7H,4H2/b5-2+",73.93171,58.74961,
8183,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C:4]=[C:5]([N+:7]#[C-:6])[H:12])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-6-4-2-3-5-7/h3-4,7H,5H2",98.72525,19.52445,
8184,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[C:2](=[C:3]([C:4]#[C:5][H:12])[C:6]#[N:7])([H:9])[H:10].[O:1]([H:8])[H:11],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H3N.H2O/c1-3-5(2)4-6;/h1H,2H2;1H2",55.19746,8.33806,"1,3_Insertion_ROR"
8185,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[C:2](=[C:3]([C:6]#[N:7])[H:11])([H:9])[H:10].[O:1]([C:4]#[C:5][H:12])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C3H3N.C2H2O/c1-2-3-4;1-2-3/h2H,1H2;1,3H",84.74863,23.84786,
8186,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[H:8][H:11].[O:1]=[C:2]([C@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:9])[H:10],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H3NO.H2/c1-2-5(3-6)4-7;/h1,4-5H;1H/t5-;/m1./s1",100.28501999999999,23.90244,
8187,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[C:3]([C:4]#[C:5][H:12])(=[C:6]=[N:7][H:8])[H:11].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C4H3N.CH2O/c1-2-3-4-5;1-2/h1,3,5H;1H2",43.87423,34.18853,Retroene
8188,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@@:3]([C:6]#[N:7])([H:11])[C:4]1=[C:5]([H:8])[H:12],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-4-5(2-6)3-7-4/h5H,1,3H2/t5-/m0/s1",72.49096999999999,-10.53207,
8189,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C:4]=[C:5]([H:11])[H:12])[C:6]#[N:7])([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h7H,1,4H2",73.95246999999999,-4.88198,
8190,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])=[C:6]=[N:7][H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,6-7H,4H2",83.61384,17.62545,
8191,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C:4](=[C:5])[C:6]1=[N:7][H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-3-4(2-7)5(3)6/h4,6-7H,2H2/t4-/m0/s1",104.22068,79.40175,
8192,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([C:5](=[C:4])[H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h2,5,7H,4H2/t5-/m0/s1",59.2878,50.57462,Singlet_Carbene_Intra_Disproportionation
8193,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([N+:7]#[C-:6])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-3-5(4-7)6-2/h1,5,7H,4H2/t5-/m1/s1",58.715430000000005,22.29499,
8194,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[C:6](#[N:7])[H:11].[O:1]([C:2]([C-:3]=[C:4]=[C+:5][H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C4H4O.CHN/c1-2-3-4-5;1-2/h1,5H,4H2;1H",95.31126,83.01361,
8195,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C-:4]=[C:5]([H:12])[N+:7]#[C:6]1)([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c7-4-5-1-2-6-3-5/h2,5,7H,4H2/t5-/m0/s1",92.56265,95.13771,
8196,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[C:4](#[C:5][H:12])[H:8].[O:1]=[C:2]([C:3]([C:6]#[N:7])([H:10])[H:11])[H:9],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C3H3NO.C2H2/c4-2-1-3-5;1-2/h3H,1H2;1-2H",88.36898000000001,11.177019999999999,
8197,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1](/[C:5](=[C:4]1\[C:2]([H:9])([H:10])[C@@:3]1([C:6]#[N:7])[H:11])[H:12])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-4,7H,1H2/b5-3+/t4-/m1/s1",76.24468,-4.1822099999999995,
8198,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6][C:7]1([H:8])[H:15],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H8O2/c6-5-1-3-7-4-2-5/h5-6H,1,3-4H2/t5-/m1/s1",75.41116,51.219159999999995,
8199,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([O:5][H:14])=[C:6]=[C:7]([H:13])[H:15])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h6-7H,1,3-4H2",70.58454,-5.3149,
8200,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4](=[C:6]=[C:7]([O:5][H:14])[H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h1,5-7H,2,4H2",66.73281999999999,-1.3038,
8201,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1=[C:7]([H:8])[H:15],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h5-6H,1-3H2/t5-/m1/s1",53.591680000000004,-27.953190000000003,
8202,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C@@:4]1([C:6]#[C:7][H:15])[H:13].[O:5]([H:8])[H:14],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O.H2O/c1-2-5-3-4-6-5;/h1,5H,3-4H2;1H2/t5-;/m0./s1",78.41554000000001,22.25976,
8203,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[H:10][H:14].[O:1]=[C:2]([C:3]([C@@:4]([O:5][H:8])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])[H:9],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O2.H2/c1-2-5(7)3-4-6;/h1,4-5,7H,3H2;1H/t5-;/m0./s1",68.0167,18.12329,
8204,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[C:3](=[C:4]([C:6]#[C:7][H:15])[H:13])([H:11])[H:12].[O:1]=[C:2]([H:9])[H:10].[O:5]([H:8])[H:14],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C4H4.CH2O.H2O/c1-3-4-2;1-2;/h1,4H,2H2;1H2;1H2",61.24374,27.08336,
8205,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:7](=[C:6])[H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h2,5-7H,3-4H2/t5-/m0/s1",57.21848000000001,48.71087,Singlet_Carbene_Intra_Disproportionation
8206,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C:5][C:6]([H:13])([H:14])[C@@:7]12[H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h5-6H,2-4H2/t5-,6-/m0/s1",70.43746999999999,68.33099,Singlet_Carbene_Intra_Disproportionation
8207,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]([O:2][H:14])([C:7]1([H:15])[C:3]([H:10])=[C:4]([H:11])[C:5]([H:12])=[C:6]1[H:13])([H:8])[H:9],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c7-5-6-3-1-2-4-6/h1-4,6-7H,5H2",55.055640000000004,-10.615969999999999,
8208,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C-:1]1([H:9])[O+:2]=[C:3]([H:10])[C:7]1([C:6]([C:5](=[C:4]([H:8])[H:11])[H:12])([H:13])[H:14])[H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-3-6-4-7-5-6/h2,4-6H,1,3H2",93.23201999999999,76.88207,
8209,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O+:2]=[C:3]2[C:4]([H:10])([H:11])[C-:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,5H,2-4H2/t5-/m0/s1",96.22241,87.98810999999999,
8210,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O:2][C@:3]([C:4](=[C:5])[H:11])([H:10])[C@:7]1([C:6]([H:12])([H:13])[H:14])[H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h3,5-6H,4H2,2H3/t5-,6-/m0/s1",87.48087,76.68496999999999,
8211,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]([O:2][H:15])([C:7]1=[C:3]([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c7-5-6-3-1-2-4-6/h1-3,7H,4-5H2",100.96753000000001,-12.88313,
8212,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O+:2]=[C-:3][C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C:7]1([H:10])[H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-4-6-7-5-3-1/h1,3H,2,4,6H2",80.5027,42.53001,
8213,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1](=[C:7]([C:6](/[C:5](=[C:4](\[C:3](=[O:2])[H:10])[H:11])[H:12])([H:13])[H:14])[H:15])([H:8])[H:9],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2,4-6H,1,3H2/b5-4-",61.512330000000006,-2.39851,
8214,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4][C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h5-6H,1-2,4H2/t5-,6-/m0/s1",71.98066,74.95698,Singlet_Carbene_Intra_Disproportionation
8215,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C-:1](=[O+:2][C@@:3]1([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C:7]1([H:8])[H:15])[H:9],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-7-6-4-2-3-5-6/h1-2,4,6H,3,5H2/t6-/m0/s1",84.75668,48.63187,
8216,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O:2][C:3]([H:10])=[C:4]([H:11])[C@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-7-4-6-3-5(1)6/h1-2,5-6H,3-4H2/t5-,6+/m1/s1",69.43252,36.15294,
8217,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O:2][C:3]([H:10])([H:15])[C-:4]([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C+:7]12,"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-7-4-6-3-5(1)6/h1,5H,2-4H2/t5-/m0/s1",83.35925999999999,68.80943,
8218,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C-:1]1=[O+:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15].[H:8][H:9],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H6O.H2/c1-2-5-4-7-6(5)3-1;/h1,3,5-6H,2H2;1H/t5-,6-;/m0./s1",86.27353000000001,67.27816,
8219,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:9])=[C:7]2[C@@:3]([H:10])([O:2]1)[C:4]([H:11])=[C:5]([H:12])[C:6]2([H:13])[H:14].[H:8][H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H6O.H2/c1-2-5-4-7-6(5)3-1;/h1,3-4,6H,2H2;1H/t6-;/m0./s1",117.11346,48.36518,
8220,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]([C@@:7]1([H:15])[C@:3]([O:2][H:8])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:9],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h1-2,4-7H,3H2/t5-,6+/m1/s1",76.49734000000001,72.40086,
8221,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]([O:2][H:11])([C@@:7]1([H:15])[C:3]([H:10])=[C:4]=[C:5]([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c7-5-6-3-1-2-4-6/h1,4,6-7H,3,5H2/t6-/m1/s1",84.01329,59.025909999999996,
8222,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1](=[O:2])([H:8])[H:9].[C:3]1([H:10])=[C:7]([H:15])[C:6]([H:13])([H:14])[C:5]([H:12])=[C:4]1[H:11],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C5H6.CH2O/c1-2-4-5-3-1;1-2/h1-4H,5H2;1H2",52.793569999999995,4.57193,2+2_cycloaddition
8223,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])=[C:7]([H:15])[C@@:3](/[C:4](=[C:5](\[C:6]([H:9])([H:13])[H:14])[H:12])[H:11])([H:10])[O:2]1,"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-3-6-4-5-7-6/h2-6H,1H3/b3-2-/t6-/m0/s1",146.01495,19.80026,
8224,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]([C:5](=[C:6]([H:13])[H:14])[H:12])([H:11])[C@@:7]12[H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-4-5-3-7-6(4)5/h2,4-6H,1,3H2/t4-,5-,6+/m1/s1",95.48706,30.611629999999998,
8225,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[C@:5]2([H:12])[C@:4]3([H:11])[O:2][C@:3]3([H:10])[C@@:7]1([H:15])[C:6]2([H:13])[H:14],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-2-4(1)6-5(3)7-6/h3-6H,1-2H2/t3-,4+,5-,6+",97.59689,22.64023,
8226,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N+:1](#[C-:2])[C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HN3O/c1-5-3(2-7)6-4/h2H,51.07067,26.91338,
8227,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N:1]#[C:2][C:3](=[C:4]=[O:5])/[N:7]=[N:6]\[H:8],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h5H/b6-5-,42.24027,26.727929999999997,
8228,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N+:1]1#[C:2][C@:3]1([C:4](=[O:5])[H:8])[N:7]=[N-:6],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HN3O/c4-6-3(2-7)1-5-3/h2H/t3-/m1/s1,59.949580000000005,53.37347,
8229,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:6]/[C:5](=[N:4]/[H:15])[C:7]([H:16])([H:17])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H11NO/c1-3-4-7-5(2)6/h6H,3-4H2,1-2H3/b6-5+",73.17152,15.84392,ketoenol
8230,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[N:4]=[C:5](/[O:6][H:13])[C:7]([H:16])([H:17])[H:18])[H:14])[H:11])([H:8])([H:9])[H:10].[H:12][H:15],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO.H2/c1-3-4-6-5(2)7;/h3-4H,1-2H3,(H,6,7);1H/b4-3-;",102.74215,37.52807,
8231,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[C:3](=[N:4][H:15])([H:13])[H:14].[C:5](=[O:6])([C:7]([H:16])([H:17])[H:18])[H:10],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C2H4O.C2H4.CH3N/c1-2-3;2*1-2/h2H,1H3;1-2H2;2H,1H2",95.54675999999999,63.66409,
8232,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N:4]([C:5]([O:6][H:17])=[C:7]([H:16])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h6-7H,2-4H2,1H3",63.31553,25.78239,ketoenol
8233,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[N:4]([H:15])[C@@:5]1([O:6][H:10])[C:7]([H:16])([H:17])[H:18],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H11NO/c1-5(7)3-2-4-6-5/h6-7H,2-4H2,1H3/t5-/m1/s1",83.15172,17.033160000000002,
8234,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N:4]([C-:5]=[O+:6][C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H11NO/c1-3-4-6-5-7-2/h6H,3-4H2,1-2H3",107.30479,55.0604,
8235,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([O:6]/[C:5](=[N:4]/[H:15])[C:7]([H:16])([H:17])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H11NO/c1-4(2)7-5(3)6/h4,6H,1-3H3/b6-5+",88.3287,14.58409,
8236,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[N+:4](\[C:5]([O-:6])=[C:7]([H:16])[H:18])[H:15])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:17],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO.H2/c1-3-4-6-5(2)7;/h4,7H,2-3H2,1H3;1H/b6-4-;",93.58959,68.36666,
8237,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:3](=[N+:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])[H:14].[C:1]([C:2]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C3H5NO.C2H6/c1-3(5)4-2;1-2/h2,4H,1H3;1-2H3",85.58535,70.43179,
8238,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:5]([N:4]([C:7]([H:16])([H:17])[H:18])[H:15])=[O:6])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H11NO/c1-3-4-5(7)6-2/h3-4H2,1-2H3,(H,6,7)",118.59992,1.81699,
8239,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N:4]=[C:5]=[O:6])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:7]([H:15])([H:16])([H:17])[H:18],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C4H7NO.CH4/c1-2-3-5-4-6;/h2-3H2,1H3;1H4",80.86498,11.390080000000001,
8240,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:3]([H:13])([H:14])[N:4]([H:15])[C@@:5]1([O:6][H:12])[C:7]([H:16])([H:17])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H11NO/c1-4-3-6-5(4,2)7/h4,6-7H,3H2,1-2H3/t4-,5-/m1/s1",94.82648,27.72338,
8241,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](/[N:4]=[C:5](/[O:6][H:15])[C:7]([H:16])([H:17])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)",43.05472,13.187920000000002,ketoenol
8242,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[N:4](=[C:5](/[O:6][H:12])[C:7]([H:16])([H:17])[H:18])\[H:15],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C3H6.C2H5NO/c1-3-2;1-2(3)4/h3H,1H2,2H3;1H3,(H2,3,4)",62.41883000000001,26.72646,Retroene
8243,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:7]([H:16])([H:17])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[N:4](=[C:5]=[O:6])[H:15],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C4H10.CHNO/c1-3-4-2;2-1-3/h3-4H2,1-2H3;2H",118.42116000000001,8.29166,
8244,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1](/[C:2](=[N:3]/[H:11])[C:4](=[C:5]([H:13])[H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C4H7N.CO/c1-3-4(2)5;1-2/h3,5H,1H2,2H3;/b5-4-;",73.50879,-15.90003,
8245,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])=[C:6]2[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h2-3,6-7H,1H3/t3-,5-/m0/s1",77.94875,27.374259999999996,ketoenol
8246,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:6]([C:5]([H:12])([H:13])[H:14])=[O:7])[N:3]([H:11])[C:4]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-4(7)5(2)3-6-5/h6H,1-2H3/t5-/m0/s1",67.00374000000001,31.254070000000002,
8247,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:6](=[C+:5][H:13])[O-:7])[N:3]([H:11])[C:4]1([H:12])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-4(7)5(2)3-6-5/h1,6H,3H2,2H3/t5-/m0/s1",79.52149,70.99125,
8248,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:2]12[N:3]3[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C@:6]23[O:7][H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-3-2-5(4,7)6(3)4/h3,7H,2H2,1H3/t3-,4-,5-,6?/m0/s1",80.36828,30.930940000000003,
8249,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])[N:3]([H:11])[C:4][C:5]([H:13])([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-5(7)2-3-6-4/h4,6H,2H2,1H3/t4-/m1/s1",63.34563000000001,4.285819999999999,
8250,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:4]1([H:12])[N:3]([H:11])[C:5]1([H:13])[H:14])=[C:6]=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-4(3-7)5-2-6-5/h5-6H,2H2,1H3/t5-/m0/s1",94.49322,4.1712,
8251,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:4]1([H:12])[N:3]([H:11])[C:6](=[O:7])[C:5]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-2-4-3-5(7)6-4/h4H,3H2,1H3,(H,6,7)/t4-/m1/s1",57.608509999999995,49.82967,
8252,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:14])[N:3]([H:11])[C@:4]1([C:5](=[C:6]=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-5(6-4)2-3-7/h2,4-6H,1H3/t4-,5-/m0/s1",88.6125,0.73209,
8253,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:4](=[C:5]([H:13])[H:14])[H:12])[N:3]([H:11])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-3-5(2)4(7)6-5/h3H,1H2,2H3,(H,6,7)/t5-/m0/s1",72.36831,2.42427,
8254,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([O-:7])[C:5]([H:13])=[C+:4][N:3]1[H:11])([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H5NO.H2/c1-4-5(7)2-3-6-4;/h2,6H,1H3;1H",132.72873,51.523140000000005,
8255,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([N+:3]1([H:11])[C:2]2=[C:6]([O-:7])[C:5]([H:13])([H:14])[C@@:4]21[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-6-3-2-4(7)5(3)6/h3,7H,2H2,1H3/t3-,6?/m0/s1",106.99175,59.835930000000005,
8256,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1](=[C:2]([N:3]([C:4](=[C:5]([H:13])[H:14])[H:12])[H:11])[C:6](=[O:7])[H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-3-6-5(2)4-7/h3-4,6H,1-2H2",99.97285,-12.85713,
8257,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C:6](=[C:2]1[N:3]([H:11])[C@:4]1([C+:5]([H:13])[H:14])[H:12])[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-3-5(6-3)4(2)7/h3,6H,1H2,2H3/t3-/m0/s1",118.10923000000001,53.65074,
8258,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:2]12[N:3]([H:11])[C-:4]1[C:5]([H:13])([H:14])[C+:6]2[O:7][H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h6-7H,2H2,1H3/t5-/m0/s1",95.32598,57.963409999999996,
8259,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[N:3]=[C:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-5(7)2-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1",62.493809999999996,-30.722170000000002,
8260,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:6]2=[O+:7][C:5]2([H:13])[H:14])[N:3]([H:11])[C-:4]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-5(3-6-5)4-2-7-4/h3,6H,2H2,1H3/t5-/m0/s1",108.45983000000001,90.80933,
8261,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1(/[C:4](=[N:3]\[H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-5(3-6)2-4(5)7/h3,6H,2H2,1H3/b6-3-/t5-/m0/s1",65.37805999999999,4.63671,
8262,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N:3]([H:11])[C:4]([H:8])([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-5(7)2-3-6-4/h6H,1-3H2",89.76569,-27.14214,
8263,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:4]1([H:12])[N:3]([H:11])[C+:2]=[C:6]([O-:7])[C:5]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-5(7)3-6-4/h4,6H,2H2,1H3/t4-/m1/s1",99.73254,7.07822,
8264,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:2]12[N+:3]([H:11])([H:12])[C-:4]1[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h2,6H2,1H3/t5-/m0/s1",62.510130000000004,50.37903,
8265,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]=[C:5]([O:6][H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1",54.528780000000005,14.822020000000002,ketoenol
8266,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([O:7][C:5]([N+:4](=[C-:3][H:13])[H:14])=[O:6])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-7-4(6)5-2/h2,5H,3H2,1H3",90.46349000000001,70.00095,
8267,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[H:14])([H:8])([H:9])[H:10].[C:5](=[O:6])=[O:7],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H7N.CO2/c1-3-2-4-3;2-1-3/h3-4H,2H2,1H3;/t3-;/m0./s1",72.69355,18.93245,
8268,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C:2]([C:3]([N:4]=[C:5]=[O:6])([H:12])[H:13])(=[O:7])[H:11],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H3NO2.CH4/c5-2-1-4-3-6;/h2H,1H2;1H4",96.56719,23.144479999999998,
8269,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1]([C:2](=[O:7])[H:11])([H:8])([H:9])[H:10].[C:3](=[N:4][H:14])([H:12])[H:13],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C2H4O.CH3N.CO/c1-2-3;2*1-2/h2H,1H3;2H,1H2;",98.87935999999999,48.36031,
8270,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([N:4]=[C:5]=[O:6])([H:12])[H:13])([O:7][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-4(7)2-5-3-6/h4,7H,2H2,1H3/t4-/m0/s1",79.83885,14.06685,
8271,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:6]/[C:5](=[N:4]\[H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-2-6-4(5)7-3/h3,5H,2H2,1H3/b5-4+/t3-/m0/s1",122.59131000000001,19.96882,ketoenol
8272,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2](/[C:3](=[N:4]/[H:14])[H:13])([O:7][C:5](=[O:6])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-4(2-5)7-3-6/h2-5H,1H3/b5-2+/t4-/m0/s1",101.80892,30.048,
8273,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:7])[O:6]1,"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c6-4-5-2-1-3-7-4/h1-3H2,(H,5,6)",94.99905,4.63371,
8274,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N:4]=[C:5]=[O:6])([H:12])[H:13])=[O:7])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c1-4(7)2-5-3-6;/h2H2,1H3;1H",86.11057,27.58933,
8275,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([N:4]([C:5](=[O:6])[O:7][H:11])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-3-5-4(6)7/h5H,3H2,1H3,(H,6,7)",87.01391,83.77054,
8276,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:7]1)([H:8])([H:9])[H:10].[N:4](=[C:5]=[O:6])[H:14],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H6O.CHNO/c1-3-2-4-3;2-1-3/h3H,2H2,1H3;2H/t3-;/m0./s1",99.13837,39.3655,
8277,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[O+:7][C-:5]([O-:6])[N+:4]([H:11])([H:14])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h2,5H2,1H3",86.0622,83.75219,
8278,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:5]([N:4]([C:3]([C:2](=[O:7])[H:11])([H:12])[H:13])[H:14])=[O:6])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-4(7)5-2-3-6/h3H,2H2,1H3,(H,5,7)",101.47976,14.96991,
8279,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:14])([H:12])[H:13])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-4(7)2-5-3-6/h3H,2H2,1H3,(H,5,6)",86.38891,11.65734,
8280,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1]([C@@:2](/[C:3](=[N:4]/[H:14])[H:13])([O:7][H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H7NO.CO/c1-3(5)2-4;1-2/h2-5H,1H3;/b4-2+;/t3-;/m0./s1",95.69886,30.27372,
8281,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[N:4]([H:14])[C@@:5]2([O:6][H:13])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-3-4(6,5-3)7-2/h2-3,5-6H,1H3/t2-,3+,4-/m0/s1",126.36561999999999,67.60665,
8282,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]([O:7][C:5]([N:4]([C:3]([H:9])([H:12])[H:13])[H:14])=[O:6])[H:11])([H:8])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-7-4(6)5-2/h3H,1H2,2H3,(H,5,6)",109.61176999999999,21.62545,
8283,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[N:4][C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c1-3-2-5-4(6)7-3;/h2-3H,1H3;1H/t3-;/m0./s1",101.05088,30.331,
8284,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([N+:4]1([H:14])[C:3]([H:12])([H:13])[C:2]([H:11])=[O+:7][C-:5]1[O-:6])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-5-2-3-7-4(5)6/h3,5H,2H2,1H3",119.42631000000002,91.3088,
8285,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[N:4]/[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[O:6])=[O:7],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H7N.CO2/c1-2-3-4;2-1-3/h3-4H,2H2,1H3;/b4-3+;",70.10718,1.7410900000000002,
8286,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:3]([N:4]([C:5](=[O:6])[O+:7]=[C-:2][H:11])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-5-4(6)7-2/h2H,3H2,1H3,(H,5,6)",142.43929,75.07314000000001,
8287,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:14])[C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:9])([H:10])[H:11].[H:8][H:13],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H10O.H2/c1-4(2)5-3-6(5)7;/h5-7H,1,3H2,2H3;1H/t5-,6-;/m1./s1",114.51037,28.22519,
8288,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])=[C:4]([C:5]([C:6](=[O:7])[H:18])([H:16])[H:17])[H:15])([H:8])([H:9])[H:10].[H:11][H:19],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H10O.H2/c1-6(2)4-3-5-7;/h4-5H,3H2,1-2H3;1H",56.07058000000001,9.90193,
8289,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4][C@@:6]([C:5]([H:15])([H:16])[H:17])([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5-7H,1-3H3/t6-/m1/s1",68.01413000000001,63.193369999999994,
8290,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6][O:7][H:19])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H12O/c1-5(2)6(3)4-7/h5-7H,1-3H3/t6-/m0/s1",57.00476,36.75587,
8291,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([H:12])([H:13])[H:14])[H:11])([H:9])[H:10].[C:4]1([H:15])=[C:5]([H:16])[C:6]1([O:7][H:19])[H:18].[H:8][H:17],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C3H4O.C3H6.H2/c4-3-1-2-3;1-3-2;/h1-4H;3H,1H2,2H3;1H",110.81108,72.83501,
8292,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]1([H:15])[C:5]([H:16])=[C:6]1[H:18])[H:11])([H:8])([H:9])[H:10].[O:7]([H:17])[H:19],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H10.H2O/c1-5(2)6-3-4-6;/h3-6H,1-2H3;1H2",79.55015,35.87644,
8293,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4]1/[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10].[C:3]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C5H8O.CH4/c1-2-4-3-5(4)6;/h2,5-6H,3H2,1H3;1H4/b4-2-;/t5-;/m1./s1",123.07621,26.602220000000003,
8294,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C:6]1=[O:7])[H:11])([H:8])([H:9])[H:10].[H:18][H:19],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H10O.H2/c1-4(2)5-3-6(5)7;/h4-5H,3H2,1-2H3;1H/t5-;/m1./s1",89.49673,27.6249,
8295,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:12])([H:13])[H:14])[C@@:4]2([H:15])[C:5]([H:16])([H:17])[C@@:6]12[H:18])([H:8])([H:9])[H:10].[O:7]([H:11])[H:19],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H10.H2O/c1-6(2)4-3-5(4)6;/h4-5H,3H2,1-2H3;1H2/t4-,5+;",105.53851,26.45921,
8296,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]([C:6][O:7][H:19])([H:16])[H:17])([H:15])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H12O/c1-6(2)4-3-5-7/h6-7H,3-4H2,1-2H3",55.52633,34.78314,
8297,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:14])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:13])([H:15])[C:5]([H:16])([H:17])[C:6]1([O:7][H:19])[H:18],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C3H6O.C3H6/c4-3-1-2-3;1-3-2/h3-4H,1-2H2;3H,1H2,2H3",109.2459,22.72479,
8298,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([O:7][H:19])([H:16])[H:17])([C:6][H:18])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H12O/c1-5(2)6(3)4-7/h3,5-7H,4H2,1-2H3/t6-/m1/s1",98.18782,79.54214,
8299,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@:4]([C:5]([C:3]([H:12])([H:13])[H:14])([H:16])[H:17])([H:15])[C@:6]1([O:7][H:19])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H12O/c1-3-5-4(2)6(5)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1",131.3146,-0.31825,
8300,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4][C:5]([C:6]([O:7][H:19])([H:15])[H:18])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H12O/c1-6(2)4-3-5-7/h6-7H,3,5H2,1-2H3",69.89166,61.34652,
8301,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C:6]1)[H:11])([H:8])([H:9])[H:10].[O:7]([H:18])[H:19],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H10.H2O/c1-5(2)6-3-4-6;/h5-6H,3H2,1-2H3;1H2/t6-;/m0./s1",82.03084,81.69116,
8302,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:19].[C:2](\[C:3]([H:12])([H:13])[H:14])(=[C:4](/[C:5]([C:6](=[O:7])[H:18])([H:16])[H:17])[H:15])[H:11],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C5H8O.CH4/c1-2-3-4-5-6;/h2-3,5H,4H2,1H3;1H4/b3-2+;",68.84,-0.10317,
8303,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([n+:7]1[c:3]([O-:2])[c:4]([H:11])[n:5]([H:12])[c:6]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-6-3-5-2-4(6)7/h2-3,7H,1H3",69.60415,3.423,
8304,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([O:2][C:4](=[C:3]=[N:7][C:6](=[N:5][H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-3-2-6-4-5/h3-5H,1H3",101.99654,50.62406,
8305,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[N:7][C:6]([H:13])=[N:5][C:4]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h3H,2H2,1H3",44.63916,5.4482099999999996,
8306,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:4]1([H:11])[C:3](=[O:2])[N:7]=[C:6]([H:13])[N:5]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-4(7)6-2-5-3/h2-3H,1H3,(H,5,6,7)/t3-/m0/s1",85.27686,-13.264660000000001,ketoenol
8308,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([O:2][c:3]1[c-:4][n:5]([H:12])[c:6]#[n+:7]1)([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)",InChI=1S/C4H3N2O.H2/c1-7-4-2-5-3-6-4;/h1H3;1H/q-1;/p+1,149.42851000000002,126.73193,
8309,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C-:1]([O:2][C:3]1=[C:4]=[N+:5]([H:12])[C:6]([H:13])=[N:7]1)([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H3N2O.H2/c1-7-4-2-5-3-6-4;/h3H,1H2;1H/q-1;/p+1",107.5012,104.04061,
8310,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3]/[C:4](=[N:5]/[H:12])[H:11])([H:8])([H:9])[H:10].[C:6](#[N:7])[H:13],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C3H5NO.CHN/c1-5-3-2-4;1-2/h2,4H,1H3;1H/b4-2+;",97.63634,88.3537,
8311,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]1[C:4]([H:10])([H:11])[N:5]([H:12])[C:6]([H:13])=[N:7]1)([H:8])[H:9],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h3H,1-2H2,(H,5,6)",68.23754,67.8667,
8312,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:4]([H:11])[N:5]([H:12])[C:6][N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2,5-6H,1H3",70.07516,31.206459999999996,
8313,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]1([H:11])[C-:4]=[N+:5]([H:12])[C:6]([H:13])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h3-5H,1H3/t4-/m1/s1",63.53361999999999,57.393919999999994,Singlet_Carbene_Intra_Disproportionation
8314,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[N:7][C:6]([H:12])([H:13])[N:5]=[C:4]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2H,3H2,1H3",43.1215,8.24067,
8315,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([O:2][C-:3](/[C:4](=[N:5]/[H:12])[H:11])[N+:7]#[C:6][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-6-4(3-5)7-2/h1,3,5H,2H3/b5-3+",69.83084000000001,66.39232,
8316,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([O:4][H:11])=[N:5][C@@:6]1([H:12])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H5NO2/c1-4-2(6)5-3(4)7-4/h3H,1H3,(H,5,6)/t3-,4-/m0/s1",85.6226,57.26902,
8317,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([O:4][H:11])[N:5]1[C:6](=[O:7])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H5NO2/c1-3-4(7)5(3)2-6/h2,7H,1H3",76.34483,72.10817,ketoenol
8318,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([O-:4])[n:5]([H:11])[c:6]([H:12])[o+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,5H,1H3",50.6955,19.26366,
8319,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[N:5][C:6](=[O:7])[H:12])[O:4][H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H5NO2/c1-4(7)2-5-3-6/h3,7H,1H3",84.40741,36.59993,
8320,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([O:4][H:11])[n:5]([H:12])[c-:6][o+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h5-6H,1H3",72.38627,35.81548,
8321,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]1([H:8])[C:2](=[O:7])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@@:5]1([C:6]([H:13])([H:15])[H:16])[H:14],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-4-2-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1",81.84523,-20.251820000000002,
8322,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1](=[C:2](/[C:3]([C:4]([C:5](=[C:6]([H:15])[H:16])[H:14])([H:11])[H:12])([H:9])[H:10])[O:7][H:13])\[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H2,6,7)",73.60686,7.780060000000001,
8323,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[H:10][H:11].[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H7NO.H2/c6-5-3-1-2-4-7-5;/h1,3,6H,2,4H2;1H/b6-5-;",104.9532,25.548,
8324,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1](=[C:2]1/[C@@:4]([C:3]([H:9])([H:10])[H:12])([H:11])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-4-2-3-7-5(4)6/h4,6H,2-3H2,1H3/b6-5-/t4-/m1/s1",116.60193000000001,-3.36982,
8325,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]1([H:8])[C:2](=[O:7])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)",79.58691999999999,-18.47622,ketoenol
8326,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1](=[C:2](/[C:3]([C:4]([C:5]([H:13])([H:14])[H:16])([H:11])[H:12])([H:9])[H:10])[O+:7]=[C-:6][H:15])\[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-3-4-5(6)7-2/h2,6H,3-4H2,1H3/b6-5-",91.16128,73.85469,
8327,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]1([H:8])[C:2]([O:7][C:6]([C:5]([C:4]([H:9])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16])=[C:3]1[H:10],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-2-3-7-5-4-6-5/h4,6H,2-3H2,1H3",98.83528000000001,83.35855,
8328,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]#[C:2][C:3]([C:4]([C:5]([C:6]([O:7][H:8])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c6-4-2-1-3-5-7/h7H,1-3,5H2",56.50796,3.54123,
8329,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1](=[C:2]=[C:3]([C:4]([C:5]([C:6]([O:7][H:10])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])[H:9])[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c6-4-2-1-3-5-7/h2,6-7H,1,3,5H2",78.8988,28.35851,
8330,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]#[C:2][O:7][C:6]([C:5]([C:4]([C:3]([H:8])([H:9])[H:10])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-2-3-4-7-5-6/h2-4H2,1H3",99.74788000000001,18.38083,
8331,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1](=[C:2](/[C:3]([C:4]([C:5]([C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:16])\[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c6-4-2-1-3-5-7/h4-6H,1-3H2/b6-4+",81.12164,13.997420000000002,
8332,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[H:11][H:14].[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:12])=[C:5]([H:13])[C:6]([H:15])([H:16])[O:7]1)\[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H7NO.H2/c6-5-3-1-2-4-7-5;/h1-2,6H,3-4H2;1H/b6-5-;",114.77832,29.33238,
8333,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[C:6](=[O:7])([H:15])[H:16].[N:1](=[C:2]1[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C4H7N.CH2O/c5-4-2-1-3-4;1-2/h5H,1-3H2;1H2",105.98153,40.67463,
8334,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[C:6]([H:15])[H:16].[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:7]1)\[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C4H7NO.CH2/c5-4-2-1-3-6-4;/h5H,1-3H2;1H2/b5-4-;",128.75056999999998,110.07824,
8335,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]([C:2]([C:3]([C:4]([C:5](=[C:6]([H:15])[H:16])[H:13])([H:11])[H:12])([H:9])[H:10])=[O:7])([H:8])[H:14],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H2,6,7)",64.8997,-4.793880000000001,
8336,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[C:6](=[O:7])([H:15])[H:16].[N:1](=[C:2]=[C:3]([C:4]([C:5]([H:9])([H:13])[H:14])([H:11])[H:12])[H:10])[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C4H7N.CH2O/c1-2-3-4-5;1-2/h3,5H,2H2,1H3;1H2",127.69873999999999,43.40456,
8337,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]1([H:8])[C-:2]=[O+:7][C:6]([H:15])([H:16])[C:5]([H:13])([H:14])[C:4]([H:11])([H:12])[C:3]1([H:9])[H:10],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-2-4-7-5-6-3-1/h6H,1-4H2",92.07760999999999,71.48325,
8338,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[H:15][H:16].[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C-:6]=[O+:7]1)\[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H7NO.H2/c6-5-3-1-2-4-7-5;/h6H,1-3H2;1H/b6-5-;",89.69073,76.16716,
8339,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]1([H:8])[C:2](=[C:3]([H:9])[H:10])[O:7][C:6]([H:15])([H:16])[C:5]([H:13])([H:14])[C:4]1([H:11])[H:12],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-5-6-3-2-4-7-5/h6H,1-4H2",111.40961999999999,17.76747,
8340,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)([H:8])[H:9],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h3H,1-2,4,6H2",62.05412,5.99142,
8341,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]2=[C:5]([H:12])[C:6]2=[C:7]1[H:13])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c7-6-2-4-1-5(4)3-6/h1-2,6-7H,3H2/t6-/m1/s1",56.70299,16.542920000000002,
8342,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[C:3](=[C:4]=[C:5]([H:8])[H:12])([H:10])[H:11].[O:1]=[C:2]([C:6]#[C:7][H:13])[H:9],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C3H2O.C3H4/c1-2-3-4;1-3-2/h1,3H;1-2H2",41.26778,12.8071,Retroene
8343,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1](/[C:5](=[C:4]1\[C:3]([H:10])([H:11])[C:2]([H:9])=[C:6]=[C:7]1[H:13])[H:12])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c7-5-6-3-1-2-4-6/h1,4-5,7H,3H2/b6-5+",108.63426000000001,16.70636,
8344,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]([C:6]1=[C:7]([H:13])[C@@:2]1([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])[H:9])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c1-2-3-5-4-6(5)7/h1,4-5,7H,3H2/t5-/m0/s1",91.69797,14.25586,
8345,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1](/[C:5](=[C:4]1\[C@@:2]([C:6]#[C:7][H:13])([H:9])[C:3]1([H:10])[H:11])[H:12])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c1-2-5-3-6(5)4-7/h1,4-5,7H,3H2/b6-4-/t5-/m1/s1",74.58261,0.73879,
8346,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]1[C@@:2]([C:6]#[C:7][H:13])([H:9])[C:3]([H:10])([H:11])[C:4]1=[C:5]([H:8])[H:12],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c1-3-6-4-5(2)7-6/h1,6H,2,4H2/t6-/m1/s1",71.83129,-8.66533,
8347,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4](=[C:5]([H:12])[H:13])[C:7]#[C:6]1)[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c1-5-2-3-6(7)4-5/h6-7H,1,4H2/t6-/m1/s1",87.55105999999999,37.16149,
8348,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])=[C:6]=[C:7]([H:9])[H:13])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1,7H,2,5H2",73.04672,-3.5867199999999997,
8349,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]([C:2](=[C:6]=[C:7]([C:4]1=[C:5]([H:12])[C:3]1([H:10])[H:11])[H:13])[H:9])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c7-5-1-2-6-3-4-6/h2-3,5,7H,4H2",68.32764,11.89184,
8350,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:7](=[C:6])[H:13])[H:9])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1,4,6-7H,5H2/t6-/m1/s1",60.92507,47.52578,Singlet_Carbene_Intra_Disproportionation
8351,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]([C:2](=[C:6]=[C:7]([C:5](=[C:4]=[C:3]([H:10])[H:11])[H:12])[H:13])[H:9])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c1-2-3-4-5-6-7/h3-4,6-7H,1H2",39.19655,-5.5746400000000005,6_membered_central_C-C_shift
8352,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[C:3]([C:4]#[C:5][H:12])([H:9])([H:10])[H:11].[O:1]([C-:2]=[C:6]=[C+:7][H:13])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C3H2O.C3H4/c1-2-3-4;1-3-2/h1,4H;1H,2H3",74.68743,63.476409999999994,
8353,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]([C@@:2]1([H:9])[C:6]([C:5](=[C:4]=[C:3]([H:10])[H:11])[H:12])=[C:7]1[H:13])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c1-2-3-5-4-6(5)7/h3-4,6-7H,1H2/t6-/m1/s1",68.12598,6.91305,
8354,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C:1](#[C:2][C:3]1=[C:7]([H:12])[O:6][C:5]([H:10])([H:11])[C:4]1([H:9])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,5H,3-4H2",90.03161999999999,-4.40551,
8355,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C:1](#[C:2][C:3]#[C:4][C:5]([H:9])([H:10])[H:11])[H:8].[O:6]=[C:7]([H:12])[H:13],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C5H4.CH2O/c1-3-5-4-2;1-2/h1H,2H3;1H2",104.84615,31.357429999999997,
8356,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C:1](=[C:2]=[C:3]1[C-:4]([H:9])[C:5]([H:10])([H:11])[O+:6]=[C:7]1[H:12])([H:8])[H:13],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h3,5H,1,4H2",75.79496999999999,53.08882,
8357,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C+:1]1([H:8])[C:2]2=[C-:3][C:7]([H:12])([H:13])[O:6][C:5]([H:10])([H:11])[C@@:4]12[H:9],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-2-7-4-6-3-5(1)6/h3,6H,2,4H2/t6-/m1/s1",74.4429,73.3166,
8358,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C-:1](=[C:2]1[C+:3]=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-6-3-2-4-7-5-6/h1-2H,4-5H2",91.21682,94.03168000000001,
8359,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C:1](=[C:2]=[C:3]1[C:4]([H:9])=[C:5]([H:11])[O:6][C:7]1([H:12])[H:13])([H:8])[H:10],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h3-4H,1,5H2",85.92029000000001,-6.28006,Intra_ene_reaction
8360,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C:1](#[C:2][C:3]([C@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)=[C:7]([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-3-5(2)6-4-7-6/h1,6H,2,4H2/t6-/m0/s1",81.51904,19.00649,
8361,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C:1](#[C:2][C@@:4]1([H:9])[C:3][C:7]([H:12])([H:13])[O:6][C:5]1([H:10])[H:11])[H:8],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,6H,4-5H2/t6-/m0/s1",74.66582,71.94405,Singlet_Carbene_Intra_Disproportionation
8362,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C-:1](=[C:2]([C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O+:6]=[C:7]1[H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1-3,5H,4H2",89.30059,68.03466999999999,
8363,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[C:3](=[N:4][H:12])([H:10])[H:11].[O:1](/[C:2](=[C:5](/[C:6](=[O:7])[H:14])[H:13])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C3H4O2.CH3N/c4-2-1-3-5;1-2/h1-4H;2H,1H2/b2-1+;",75.77521,5.13793,
8364,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[C-:6]#[O+:7].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N+:4]([H:12])([H:14])[C-:5]1[H:13])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C3H7NO.CO/c5-3-1-4-2-3;1-2/h1,3,5H,2,4H2;/t3-;/m1./s1",57.81993000000001,58.09059,
8365,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[C:3]1([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13].[O:1]([C:2][H:9])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C3H5NO.CH2O/c5-2-3-1-4-3;1-2/h2-4H,1H2;1-2H/t3-;/m1./s1",96.54341,76.6106,
8366,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[C:2]1([H:9])=[C:3]([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13].[O:1]([H:8])[H:10],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1",InChI=1S/C4H5NO.H2O/c6-3-4-1-2-5-4;/h1-5H;1H2/t4-;/m1./s1,74.3529,15.573139999999999,"1,3_Insertion_ROR"
8367,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]=[C:2]([C:3]([N:4]([C:5](=[C:6]([O:7][H:8])[H:14])[H:13])[H:12])([H:10])[H:11])[H:9],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-5-2-4-7/h1,3-6H,2H2",23.88994,-2.8408,
8368,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]1[C@@:2]2([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@@:5]2([H:13])[C@:6]1([O:7][H:8])[H:14],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c6-4-3-2(7-4)1-5-3/h2-6H,1H2/t2-,3+,4-/m0/s1",52.96461,13.97776,
8369,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]=[C:2]([C:5]([N:4]([C:3]([H:8])([H:10])[H:11])[H:12])([C:6](=[O:7])[H:14])[H:13])[H:9],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c1-5-4(2-6)3-7/h2-5H,1H3",75.01904,-8.79134,
8370,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C@@:2]([C:3]([N:4]([C:5][H:13])[H:12])([H:10])[H:11])([C:6](=[O:7])[H:14])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c1-5-2-4(7)3-6/h1,3-5,7H,2H2/t4-/m0/s1",78.84897,33.7084,
8371,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C:2](=[C:3]([N:4]([C:5](=[C:6]([O:7][H:10])[H:14])[H:13])[H:12])[H:11])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1",InChI=1S/C4H7NO2/c6-3-1-5-2-4-7/h1-7H,53.44311999999999,1.03702,
8372,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[H:11][H:13].[O:1]([C@@:2]1([H:9])[C+:3]([H:10])[N:4]([H:12])[C:5]1=[C:6]([O-:7])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO2.H2/c6-2-3-4(7)1-5-3;/h1-2,4-5,7H;1H/t4-;/m0./s1",77.80917,59.675940000000004,
8373,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[C:2]1([H:9])=[C:5]([H:13])[N:4]([H:12])[C:3]1([H:10])[H:11].[O:1]([C:6](=[O:7])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C3H5N.CH2O2/c1-2-4-3-1;2-1-3/h1-2,4H,3H2;1H,(H,2,3)",64.08776999999999,6.97324,
8374,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]=[C:2]1[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6]([O:7][H:8])([H:9])[H:14])[H:13],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h3,5-6H,1-2H2/t3-/m0/s1",105.44473,-4.54534,
8375,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[H:8][H:9].[O:1]=[C:2]1[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO2.H2/c6-2-3-4(7)1-5-3;/h2-3,5H,1H2;1H/t3-;/m0./s1",83.42993,13.55884,
8376,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N+:4]([H:12])([H:13])[C:5]1=[C:6]([O-:7])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2,4-7H,1H2/t4-/m0/s1",59.095969999999994,28.188679999999998,
8377,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C:3]([C@@:2]1([H:9])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])([H:10])[H:11])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c6-1-3-4(2-7)5-3/h1,3-5,7H,2H2/t3-,4+/m0/s1",95.6921,2.57844,
8378,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])/[C:5]1=[C:6](/[O:7][H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2,4-7H,1H2/b3-2+/t4-/m0/s1",70.31494,7.90987,ketoenol
8379,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:17].[C:2]12=[C:7]=[C:6]([H:16])[C:4]([H:13])([C:3]1([H:11])[H:12])[C:5]2([H:14])[H:15],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C6H6.CH4/c1-2-6-3-5(1)4-6;/h1,5H,3-4H2;1H4",128.63637,101.82122,
8380,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])([H:17])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h6H,2,4-5H2,1H3",62.22135,53.37976,Singlet_Carbene_Intra_Disproportionation
8381,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:15])[C@@:6]3([H:16])[C@:5]1([H:14])[C@@:7]23[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-7-3-2-4-5(7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+",79.83638,-2.93879,
8382,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1](/[C:7](=[C:6](\[C:4]1([H:13])[C:3]([H:11])([H:12])[C:2][C:5]1([H:14])[H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-2-4-7-5-3-6-7/h2,4,7H,5-6H2,1H3/b4-2-",138.0598,67.1886,
8383,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h6H,3-5H2,1H3",62.61663000000001,53.74191999999999,Singlet_Carbene_Intra_Disproportionation
8384,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[C-:4]=[C:6]([H:16])[C+:7]1[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-7(2)5-3-4-6-7/h3,5H,6H2,1-2H3",73.18534,36.74886,
8385,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:17])[C@:6]2([H:16])[C:3]([H:11])([H:12])[C@:4]2([H:13])[C:5]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-5-2-6-4-7(6)3-5/h2,6-7H,3-4H2,1H3/t6-,7+/m1/s1",44.76444,-20.608439999999998,
8386,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C:5]([C@@:4]1([H:13])[C:3]([H:11])([H:12])[C-:2]=[C:7]([H:17])[C+:6]1[H:16])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3,5,7H,2,6H2,1H3/t7-/m1/s1",118.57693,38.29462,
8387,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:7]1([H:17])[C:6]([H:16])=[C:4]([H:13])[C:5]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-7-4-2-3-6(7)5-7/h2-3,6H,4-5H2,1H3/t6-,7+/m0/s1",47.36035,-19.167189999999998,
8388,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])[C@:3]2([H:11])[C@:4]([H:13])([C:5]1([H:14])[H:15])[C@@:6]2([C:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-4-3-6-5(2)7(4)6/h2,4-7H,3H2,1H3/t4-,5+,6-,7+/m1/s1",113.26467,76.20239000000001,
8389,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:7](=[C:6]([H:13])[H:16])[H:17])[C:3]([H:11])([H:12])[C:4][C:5]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-3-7(2)5-4-6-7/h3H,1,5-6H2,2H3",80.64166,68.51782,
8390,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:15])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C@:5]3([H:14])[C@@:6]2([H:16])[C@:7]13[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-3-2-4-6-5(3)7(4)6/h3-7H,2H2,1H3/t3-,4-,5+,6-,7+/m0/s1",78.24148000000001,-0.96898,
8391,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6](=[O:7])[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:6]1([H:17])[C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2,4-6)7-3/h4H,1-3H3","InChI=1S/C5H10O2/c1-5(2)4(6-3)7-5/h4H,1-3H3/t4-/m1/s1",62.841159999999995,11.439039999999999,
8392,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6](=[O:7])[H:17])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3]([C:5]([H:14])([H:15])[H:16])=[C:6](/[O:7][C:4]([H:11])([H:12])[H:13])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2,4-6)7-3/h4H,1-3H3","InChI=1S/C5H10O2/c1-5(7-3)4-6-2/h4H,1-3H3/b5-4+",100.44183000000001,18.51887,ketoenol
8393,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6](=[O:7])[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[C:4]([H:11])[H:13])[C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C5H10O2/c1-5(2,4-6)7-3/h4H,1-3H3","InChI=1S/C5H8O2.H2/c1-5(7-2)3-4-6;/h4H,1,3H2,2H3;1H",116.97935,25.80075,
8394,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6](=[O:7])[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6][O:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2,4-6)7-3/h4H,1-3H3","InChI=1S/C5H10O2/c1-5(2,4-6)7-3/h6H,1-3H3",81.09918,52.84375,
8395,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])=[C:5]([H:14])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-5-3-4-6(5)7-2;/h3-6H,1-2H3;1H/t5-,6+;/m1./s1",126.26426000000001,34.91815,
8396,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2][C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10].[C:3]1([H:11])=[C:6]([H:16])[C:5]([H:14])([H:15])[C:4]1([H:12])[H:13],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H6.C2H6O/c1-2-4-3-1;1-3-2/h1-2H,3-4H2;1-2H3",113.90272,31.23575,
8397,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([C@@:6]([C:5]([C:4]([H:10])([H:12])[H:13])([H:14])[H:15])([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])[H:9],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-6(2)5-7-3/h5-6H,3-4H2,1-2H3/t6-/m1/s1",84.36067,52.645869999999995,
8398,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][C@@:6]([C:5]([C:4]([H:11])([H:12])[H:13])([H:14])[H:15])([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-6(2)5-7-3/h6H,4H2,1-3H3/t6-/m1/s1",69.64533,36.60232,
8399,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][H:11])([H:8])([H:9])[H:10].[C:4]1([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1([C:7]([H:17])([H:18])[H:19])[H:16],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H8.C2H4O/c1-4-2-3-4;1-3-2/h4H,2-3H2,1H3;1H,2H3",107.33057,74.57579,
8400,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[C:4]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:5](=[C:6]([C:7]([H:17])([H:18])[H:19])[H:16])([H:14])[H:15],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C3H6O.C3H6/c1-3-4-2;1-3-2/h3H,1H2,2H3;3H,1H2,2H3",96.14903000000001,15.96274,
8401,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[C:6](/[C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H8O.C2H4/c1-3-4-5-2;1-2/h3-4H,1-2H3;1-2H2/b4-3+;",91.67994,19.92139,
8402,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]1[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])[H:9].[H:10][H:11],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-5-3-4-6(5)7-2;/h5H,2-4H2,1H3;1H/t5-;/m1./s1",82.42135,80.37589,
8403,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([C:5]([C:6][C:7]([H:17])([H:18])[H:19])([H:14])[H:15])([H:12])[H:13])([H:11])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-4-5-6-7-2/h4-6H2,1-2H3",82.3574,67.87646,
8404,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:19].[O:2]=[C:3]([C:4]([C:5]([C:6](=[C:7]([H:17])[H:18])[H:16])([H:14])[H:15])([H:12])[H:13])[H:11],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-2-3-4-5-6;/h2,5H,1,3-4H2;1H4",88.0737,-3.37178,
8405,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:4]([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-5-3-4-6(5)7-2;/h4-5H,3H2,1-2H3;1H/t5-;/m1./s1",106.36693000000001,25.97914,
8406,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][C:4]([C:5]([C:6]([C:7]([H:17])([H:18])[H:19])([H:11])[H:16])([H:14])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-4-5-6-7-2/h3-5H2,1-2H3",67.35386,36.8559,
8407,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([C:5]([H:14])([H:15])[H:16])([H:12])[H:13])([C:6][C:7]([H:17])([H:18])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-6(5-2)7-3/h6H,4H2,1-3H3/t6-/m0/s1",78.58757,65.87785,
8408,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[C:2]1([H:9])=[C:7]([H:17])[C:6]([H:16])=[C:5]([H:14])[C:4]([H:12])([H:13])[C:3]1([H:10])[H:11].[O:1]([H:8])[H:15],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8.H2O/c1-2-4-6-5-3-1;/h1-4H,5-6H2;1H2",63.90939,10.09652,"1,3_Insertion_ROR"
8409,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]=[C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([H:8])[H:17])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])[H:9],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2,6H,1,3-5H2",81.36375,10.31219,
8410,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1](/[C:2](=[C:7](\[C:6]([C:5]([C:4](=[C:3]([H:10])[H:11])[H:12])([H:14])[H:15])([H:13])[H:16])[H:17])[H:9])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2,5-7H,1,3-4H2/b6-5-",93.24908,18.739279999999997,
8411,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6][C:7]1([H:16])[H:17])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h6-7H,1-2,4-5H2/t6-/m0/s1",73.12805999999999,72.20149,Singlet_Carbene_Intra_Disproportionation
8412,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13].[C:6](#[C:7][H:17])[H:16].[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C2H4O.C2H4.C2H2/c1-2-3;2*1-2/h2-3H,1H2;1-2H2;1-2H",134.25733,76.67926,
8413,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[H:8][H:10].[O:1]=[C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:9],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c7-5-6-3-1-2-4-6;/h1,3,5-6H,2,4H2;1H/t6-;/m1./s1",103.8516,23.057760000000002,
8414,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]([C:4]([C:5](/[C:6](=[C:7](\[C:2](=[C:3]([H:10])[H:11])[H:9])[H:17])[H:16])([H:14])[H:15])([H:12])[H:13])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-4,7H,1,5-6H2/b4-3-",115.06817,22.93552,
8415,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[H:8][H:17].[O:1]=[C:2]([C:7]1=[C:6]([H:16])[C:5]([H:14])([H:15])[C:4]([H:12])([H:13])[C:3]1([H:10])[H:11])[H:9],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c7-5-6-3-1-2-4-6;/h3,5H,1-2,4H2;1H",108.36623999999999,18.0833,
8416,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1](/[C:2](=[C:7](/[C:6]1([H:16])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])[H:17])[H:9])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c7-5-4-6-2-1-3-6/h4-7H,1-3H2/b5-4+",98.45353,23.04136,
8417,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1](/[C:2](=[C:7](/[C@:6]1([H:16])[C@@:4]([C:3]([H:10])([H:11])[H:13])([H:12])[C:5]1([H:14])[H:15])[H:17])[H:9])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h2-3,5-7H,4H2,1H3/b3-2+/t5-,6+/m1/s1",99.83649,21.653010000000002,
8418,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[H:12][H:17].[O:1]([C:2](=[C:7]=[C:6]([C:5]([C:4](=[C:3]([H:10])[H:11])[H:13])([H:14])[H:15])[H:16])[H:9])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-2-3-4-5-6-7;/h2,4,6-7H,1,3H2;1H",136.29408,60.68995,
8419,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[H:9][H:14].[O:1]([C:2]1=[C:7]([H:17])[C:6]([H:16])=[C:5]([H:15])[C:4]([H:12])([H:13])[C:3]1([H:10])[H:11])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c7-6-4-2-1-3-5-6;/h1-2,4,7H,3,5H2;1H",60.694019999999995,22.279870000000003,
8420,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]=[C:2]([C:3]([H:9])([H:10])[H:11])/[C:7](=[C:6](\[C:5]([C:4]([H:8])([H:12])[H:13])([H:14])[H:15])[H:16])[H:17],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c1-3-4-5-6(2)7/h4-5H,3H2,1-2H3/b5-4-",105.34046000000001,1.18794,
8421,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]([C:2]1=[C:7]([H:17])[C:6]([H:9])([H:16])[C:5]([H:14])([H:15])[C:4]([H:12])([H:13])[C:3]1([H:10])[H:11])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h4,7H,1-3,5H2",81.89520999999999,-0.10514000000000001,
8422,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[H:8][H:9].[O:1]=[C:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c7-6-4-2-1-3-5-6;/h2,4H,1,3,5H2;1H",85.8097,10.60117,
8423,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1](/[C:2]([C:3]([C:4]([C:5]([H:9])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])=[C:7](/[C:6][H:16])[H:17])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c1-3-5-6(7)4-2/h2,4,7H,3,5H2,1H3/b6-4+",124.53188,72.60585,
8424,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:7]1([C:6](=[C:5]([H:14])[H:15])[H:16])[H:17])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c1-2-5-3-4-6(5)7/h2,5-7H,1,3-4H2/t5-,6-/m0/s1",106.17894,22.11802,
8425,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[H:15][H:17].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C+:5]([H:14])[C:6]([H:16])=[C-:7]1)[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c7-6-4-2-1-3-5-6;/h1-2,6-7H,3,5H2;1H/t6-;/m1./s1",116.47328999999999,92.04333000000001,
8426,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[C:3](=[C:4]([H:12])[H:13])([H:10])[H:11].[O:1](/[C:2](=[C:7](/[C:6](=[C:5]([H:14])[H:15])[H:16])[H:17])[H:9])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C4H6O.C2H4/c1-2-3-4-5;1-2/h2-5H,1H2;1-2H2/b4-3+;",65.9172,40.09682,Diels_alder_addition
8427,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]1[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:8])([H:16])[C@@:7]12[H:17],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2/t5-,6+",67.70322,9.6472,
8428,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[H:8][H:15].[O:1]1[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:16])[C@@:7]12[H:17],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-2-4-6-5(3-1)7-6;/h1,3,5-6H,2,4H2;1H/t5-,6+;/m1./s1",92.82379,38.22995,
8429,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@:7]2([C:3](=[O:4])[H:11])[H:15],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c7-3-6-4-1-5(6)2-4/h3-6H,1-2H2/t4-,5+,6-",81.4838,8.40414,
8430,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C-:3]=[O+:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C:7]2([H:11])[H:15],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-5-2-6(1)4-7-3-5/h5-6H,1-3H2/t5-,6+",60.17781,32.85116,
8431,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@:7]2([C:2][H:10])[H:15],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-4-5-2-6(4)7-3-5/h1,4-6H,2-3H2/t4-,5-,6-/m1/s1",119.75117,76.56581,
8432,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C-:3]([H:11])[O+:4]=[C:5]([H:12])[C@@:6]1([H:14])[C:7]2([H:13])[H:15],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-5-2-6(1)4-7-3-5/h3-6H,1-2H2/t5-,6+",92.21219,40.73296,
8433,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C:3]([H:11])([H:15])[O:4][C:5]([H:12])([H:13])[C@@:6]1([H:14])[C:7]2,"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-5-2-6(1)4-7-3-5/h5-6H,1,3-4H2/t5-,6+",66.88031,59.276819999999994,
8434,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C:2][C@@:7]2([H:15])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-6-4-7-3-5(1)6/h5-6H,1,3-4H2/t5-,6+/m1/s1",64.8485,58.88176,
8435,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1](=[C:6]([C:5]([O:4][C:3]1([H:11])[C:2]([H:10])=[C:7]1[H:15])([H:12])[H:13])[H:14])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-5-7-6-3-4-6/h2-4,6H,1,5H2",97.74383,32.50513,
8436,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])=[C:3]([H:11])[C:7]([H:15])=[C:6]1[H:14].[O:4]=[C:5]([H:12])[H:13],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C5H6.CH2O/c1-2-4-5-3-1;1-2/h1-4H,5H2;1H2",51.94983,-9.015369999999999,
8437,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C@@:1]12([H:9])[C@@:2]3([H:10])[C@@:3]([H:11])([O:4][C:5]([H:13])=[C:6]1[H:14])[C@@:7]23[H:15].[H:8][H:12],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H6O.H2/c1-2-7-6-4-3(1)5(4)6;/h1-6H;1H/t3-,4+,5-,6+;",109.10307,30.41317,
8438,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]([O+:4]=[C-:5][H:12])([H:11])[C@:7]2([H:15])[C:6]1([H:13])[H:14],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-7-6-4-2-3-5(4)6/h1,4-6H,2-3H2/t4-,5+,6-",89.04290999999999,59.80396999999999,
8439,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]([H:11])([O:4][C:5]([H:12])([H:13])[C:6]1)[C:7]2([H:14])[H:15],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-5-4-6(5)7-3-1/h5-6H,2-4H2/t5-,6+/m1/s1",75.53781,59.46552,
8440,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:15])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C:7]2,"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-6-3-5(1)4-7-6/h5-6H,1-2,4H2/t5-,6+/m0/s1",60.73175,49.828829999999996,
8441,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@:6]2([H:14])[C:5]([H:12])([H:13])[O:4][C@@:3]([C:2][H:10])([H:11])[C@:7]12[H:15],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-4-6-2-5(6)3-7-4/h1,4-6H,2-3H2/t4-,5-,6+/m1/s1",76.5451,68.42161999999999,
8442,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C@@:7]2([H:15])[C-:3]=[O+:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-6-4-7-3-5(1)6/h5-6H,1-3H2/t5-,6+/m1/s1",52.99482,25.20812,
8443,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:13])=[C:6]([H:14])[C@@:7]12[H:15])([H:8])([H:9])[H:12],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-4-5-2-3-7-6(4)5/h2-6H,1H3/t4-,5+,6-/m1/s1",107.02739,-11.46338,
8444,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:14])[C@:7]([C:3](=[O:4])[H:11])([H:15])[C:6]1=[C:5]([H:12])[H:13],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-5-2-3-6(5)4-7/h4,6H,1-3H2/t6-/m0/s1",94.93404,-12.69603,
8445,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1](=[C:2]([C@@:3]1([H:11])[O:4][C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15])[H:10])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h2-4,6H,1,5H2/t6-/m1/s1",58.15995,-13.179910000000001,
8446,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]([C:2]1([H:10])[C:3]([H:11])=[C:7]1[H:15])([C:6]([C:5](=[O:4])[H:13])([H:12])[H:14])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c7-5-1-2-6-3-4-6/h3-6H,1-2H2",87.0254,13.789629999999999,
8447,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1](/[C:2](=[C:7](\[C:3](=[O:4])[H:11])[H:15])[H:10])([C:6](=[C:5]([H:12])[H:13])[H:14])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2,4-6H,1,3H2/b5-4-",77.02642,-15.427620000000001,
8448,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O+:4]=[C:5]([H:12])[C@:6]1([H:14])[C-:7]23.[H:13][H:15],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H6O.H2/c1-3-2-7-6-4(1)5(3)6;/h2-4,6H,1H2;1H/t3-,4-,6-;/m1./s1",112.73461,100.67071,
8449,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]([C@:6]1([H:14])[C:5]([H:12])([H:13])[O:4][C@:3]2([H:11])[C:2]([H:8])([H:10])[C@@:7]21[H:15])[H:9],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-4-3-7-6-2-5(4)6/h1,4-6H,2-3H2/t4-,5-,6-/m1/s1",84.84574,72.30845,
8450,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@:3]([O:4][C:5]([H:12])([H:13])[H:14])([H:11])[C@@:7]2([H:15])[C:6]1,"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-7-6-4-2-3-5(4)6/h4-6H,2H2,1H3/t4-,5+,6-/m1/s1",86.85247,67.58923,
8451,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C:2][C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C:7]2([H:10])[H:15],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-6-3-5(1)4-7-6/h5-6H,1,3-4H2/t5-,6+/m0/s1",62.98066,44.617540000000005,
8452,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:9])=[C:6]([H:14])[C@:7]2([H:15])[C@@:2]1([H:10])[C@@:3]2([O:4][C:5]([H:8])([H:12])[H:13])[H:11],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-7-6-4-2-3-5(4)6/h2-6H,1H3/t4-,5+,6-",127.78775,33.55164,
8453,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:12])[C@:7]2([H:15])[C:3]([H:11])=[O+:4][C-:5]([H:13])[C@:6]12[H:14],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-6-4-7-3-5(1)6/h3-6H,1-2H2/t5-,6+",75.87432,42.57143,
8454,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C@:1]12([H:9])[C@:2]3([H:10])[C@@:3]1([H:11])[C@:7]3([H:15])[C@:6]2([C:5]([O:4][H:8])([H:12])[H:13])[H:14],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c7-1-2-3-5-4(2)6(3)5/h2-7H,1H2/t2-,3-,4+,5-,6+",111.99263,34.52191,
8455,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@:6]1([H:14])[C@:7]2([C:3](=[O+:4][C-:5]([H:12])[H:13])[H:11])[H:15],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-7-3-6-4-2-5(4)6/h3-6H,1-2H2/t4-,5+,6-",95.46049000000001,77.19708,
8456,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:15])[C:7]2=[C:3]([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-6-4-7-3-5(1)6/h3,6H,1-2,4H2/t6-/m1/s1",60.7319,1.49355,
8457,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C:6]([H:8])([H:14])[C@@:7]12[H:15])[H:9],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-4-5-2-3-7-6(4)5/h1,4-6H,2-3H2/t4-,5+,6-/m1/s1",89.27608000000001,61.76005,
8458,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]([H:11])([O:4][C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[C:7]2,"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-5-4-6(5)7-3-1/h5-6H,1-3H2/t5-,6+/m1/s1",74.48176,67.37159,
8459,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])=[C:7]([H:15])[C@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6+/m1/s1",93.08263000000001,23.205820000000003,
8460,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@:2]([C:3](=[O+:4][C-:5]([H:12])[H:13])[H:11])([H:10])[C:7]([H:15])=[C:6]1[H:14],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-7-5-6-3-2-4-6/h2-3,5-6H,1,4H2/t6-/m0/s1",77.66644000000001,64.2892,
8461,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]([C@:6]1([H:14])[C:5]([H:12])([H:13])[O:4][C@:3]2([H:11])[C:2][C@@:7]21[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-4-3-7-6-2-5(4)6/h4-6H,3H2,1H3/t4-,5-,6-/m1/s1",81.56636,68.69771999999999,
8462,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O+:4]=[C-:5][C@:6]1([H:14])[C@@:7]23[H:15].[H:12][H:13],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H6O.H2/c1-3-2-7-6-4(1)5(3)6;/h3-6H,1H2;1H/t3-,4-,5+,6-;/m1./s1",83.14041999999999,65.08388000000001,
8463,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])=[C:6]1[H:12])=[N:7][H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3(6)4(7)1-2-4/h1-2,7H,(H3,5,6)",89.18193000000001,45.58162,
8464,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([O:4][H:10])[C:5]([H:11])([H:12])[C:6][N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h6-7H,1,5H2",59.78801,49.54752,Singlet_Carbene_Intra_Disproportionation
8465,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2](/[C:3]([O:4][H:10])=[C:5](\[C:6][H:12])[H:11])=[N:7][H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c1-2-3(7)4(5)6/h1-2,7H,(H3,5,6)/b3-2+",87.33757,75.65116,
8466,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[H:8][H:13].[N:1](=[C:2]1\[C:3]([O:4][H:10])=[C:5]([H:11])[C:6]([H:12])=[N:7]1)\[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H4N2O.H2/c5-4-3(7)1-2-6-4;/h1-2H,(H2,5,6,7);1H",103.8015,35.57758,
8467,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N+:1]([c-:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])([H:9])[H:13],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,7H,5H3",51.623090000000005,38.16387,
8468,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@:2]1([H:13])[C:3]([O:4][H:10])=[C:5]([H:11])[C:6]([H:12])=[N:7]1)([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,4,7H,5H2/t4-/m0/s1",46.31565,14.62161,
8469,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([O:4][H:10])[C:5]([H:11])=[C-:6][N+:7]1([H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1,7H,5-6H2",84.07356999999999,72.35854,
8470,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([O-:4])[C:5]([H:10])([H:11])[C+:6]([H:12])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h2,6H,1,5H2",63.719919999999995,27.02378,
8471,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]/[C:3]([O:4][H:10])=[C:5]([C:6](=[N:7]\[H:13])\[H:12])/[H:11])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-2-1-4(7)3-6/h1-2,5,7H,6H2/b4-1+,5-2+",56.8408,50.23851,
8472,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[N:7][C:6]([H:12])([H:13])[C:5]([H:11])=[C:3]1[O:4][H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1,7H,2H2,(H2,5,6)",40.6104,-0.23016999999999999,
8473,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C+:2]1[C@@:3]([O:4][H:10])([H:11])[C-:5]=[C:6]([H:12])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h2-3,6-7H,5H2/t3-/m1/s1",76.38215,65.84454000000001,
8474,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@:2]1([H:11])[C:3]([O:4][H:10])=[C:5]=[C:6]([H:12])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h2,4,6-7H,5H2/t4-/m0/s1",76.38641,56.079719999999995,
8475,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C:3](=[O:4])[C:5]([H:11])=[C:6]([H:12])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,4,6H,5H2/t4-/m1/s1",63.692080000000004,1.36352,ketoenol
8476,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[H:9][H:12].[N-:1]([C:2]1=[C:3]([O:4][H:10])[C:5]([H:11])=[C+:6][N:7]1[H:13])[H:8],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H4N2O.H2/c5-4-3(7)1-2-6-4;/h1,5-7H;1H",132.22601,65.80145999999999,
8477,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[H:8][H:10].[N:1](=[C:2]1\[C:3](=[O:4])[C:5]([H:11])=[C:6]([H:12])[N:7]1[H:13])\[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H4N2O.H2/c5-4-3(7)1-2-6-4;/h1-2H,(H2,5,6,7);1H",68.4348,18.1846,
8478,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1](=[C:2]1[C:3]([O:4][H:10])=[C:5]([H:11])[C-:6]([H:12])[N+:7]1([H:8])[H:13])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,5,7H,6H2",79.35152,53.8183,
8479,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N-:1]([C:2]1=[C:3]([O:4][H:10])[C:5]([H:8])([H:11])[C+:6]([H:12])[N:7]1[H:13])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h2,5-7H,1H2",92.4256,53.682269999999995,
8480,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1](=[C:2]1\[C:3]([O:4][H:10])=[C:5]([H:11])[C:6]([H:8])([H:12])[N:7]1[H:13])\[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1,7H,2H2,(H2,5,6)",92.41904,2.67367,
8481,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2][N:7]([C@@:6]1([H:12])[C:3]([O:4][H:10])=[C:5]1[H:11])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-2-6-3-1-4(3)7/h1,3,6-7H,5H2/t3-/m1/s1",115.25676000000001,76.29776,
8482,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([O:4][C:6]([O:7][H:15])([H:13])[H:14])=[C:5]([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c1-4(6-2)7-3-5/h5H,1,3H2,2H3",88.81665,30.82045,ketoenol
8483,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:12])[O:4][C@:5]1([C:6]([O:7][H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c1-6-4-3(2-5)7-4/h3-5H,2H2,1H3/t3-,4-/m0/s1",103.25333,42.630559999999996,
8484,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][O:4][C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c1-6-4-7-3-2-5/h5H,2-3H2,1H3",107.67844,59.09449,
8485,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[O:4])[C:5]([H:11])([H:12])[H:14])([H:8])([H:9])[H:10].[C:6]([O:7][H:15])[H:13],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3",InChI=1S/C3H6O2.CH2O/c1-3(4)5-2;1-2/h1-2H3;1-2H,82.24515,67.55851,
8486,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([O:4][H:15])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c1-6-4(5)2-3-7-4/h5H,2-3H2,1H3/t4-/m0/s1",52.66774,23.81104,
8487,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[O:4])[C:5](=[C:6]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[O:7]([H:12])[H:15],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H6O2.H2O/c1-3-4(5)6-2;/h3H,1H2,2H3;1H2",56.576130000000006,10.42745,"1,3_Insertion_ROR"
8488,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:3]#[O+:4].[C:1]([O:2][C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C3H8O2.CO/c1-5-3-2-4;1-2/h4H,2-3H2,1H3;",108.71061999999999,26.03689,
8489,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:9])[H:10].[C:3](=[O:4])([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:8],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C3H6O2.CH2O/c4-2-1-3-5;1-2/h2,5H,1,3H2;1H2",79.50182,33.46209,
8490,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:12])([H:8])([H:9])[H:10].[C:3](=[O:4])=[C:5]([C:6]([O:7][H:15])([H:13])[H:14])[H:11],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C3H4O2.CH4O/c4-2-1-3-5;1-2/h1,4H,2H2;2H,1H3",74.75093000000001,39.003659999999996,"1,3_Insertion_ROR"
8491,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3]([O:4][H:12])=[C:5](/[C:6]([O:7][H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h2,5-6H,3H2,1H3/b4-2+",74.1465,23.89195,ketoenol
8492,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:17])[O:5][C:6]([H:15])([H:16])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-6-2-4-7-5-3-6/h6H,2,4-5H2,1H3/t6-/m0/s1",73.39695999999999,43.50613,
8493,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:6]([H:15])([H:16])[O:5][C:4]([H:14])=[C:7]1[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-6-2-4-7-5-3-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1",125.51579,-29.505679999999998,
8494,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:7]1([H:17])[C@:4]([C:3]([H:11])([H:12])[H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-6-4-7-5(6)2/h5-6H,4H2,1-2H3/t5-,6-/m1/s1",78.06526,60.8399,
8495,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:7]1([C:6]([O+:5]=[C-:4][H:14])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-3-6(5)4-7-2/h2,5-6H,3-4H2,1H3/t5-,6-/m0/s1",90.17007,50.67026,
8496,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O+:5]=[C-:6][C@@:7]12[H:17])([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-4-2-6-5(4)3-7-6;/h4-6H,2H2,1H3;1H/t4-,5-,6+;/m0./s1",87.38539,67.2155,
8497,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:12])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-4-2-6-5(4)3-7-6;/h2,5-6H,3H2,1H3;1H/t5-,6+;/m0./s1",130.19516000000002,30.10867,
8498,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@:7]12[C:3]([H:12])([H:13])[C@@:4]1([H:14])[O:5][C:6]2([H:15])[H:16])[H:11])([H:8])[H:10].[H:9][H:17],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-2-6-3-5(6)7-4-6;/h2,5H,1,3-4H2;1H/t5-,6-;/m1./s1",114.05328,35.17151,
8499,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@@:2]2([H:11])[C@:3]1([H:13])[C@@:4]1([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]21[H:17].[H:9][H:12],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-3-4(1)6-5(3)2-7-6;/h3-6H,1-2H2;1H/t3-,4+,5-,6+;/m0./s1",118.47878,41.98008,
8500,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:14])[C@:7]1([C:6]([O:5][H:13])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(5)4-7/h2-3,5-7H,4H2,1H3/t5-,6-/m0/s1",60.61404,-5.62171,
8501,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([C@@:4]1([H:14])[O:5][C:6]([H:15])([H:16])[C:7]1([H:11])[H:17])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-2-3-6-4-5-7-6/h6H,3-5H2,1H3/t6-/m1/s1",79.07202,61.93983000000001,
8502,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:7](=[C:6]([H:15])[H:16])[H:17])([H:14])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-6-4-5(2)7-6/h3,5-6H,1,4H2,2H3/t5-,6-/m0/s1",103.02376,-9.29159,
8503,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C-:4]=[O+:5][C:6]([H:15])([H:16])[C:7]1([H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-6-2-4-7-5-3-6/h6H,2-4H2,1H3/t6-/m1/s1",71.34014,19.63048,
8504,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:15])([C:7]1([H:17])[C-:4]([H:14])[O+:5]=[C:6]1[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5(2)6-3-7-4-6/h3-6H,1-2H3",82.78211,52.51614,
8505,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:7]1[C:6]([O:5][H:17])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(5)4-7/h3,5,7H,2,4H2,1H3/t5-/m0/s1",112.49831,-8.68314,
8506,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@@:4]1([H:14])[O:5][C:6]([H:15])([H:16])[C:7]1)([H:12])[H:13])([H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-2-3-6-4-5-7-6/h6H,2-3,5H2,1H3/t6-/m1/s1",75.37779,64.45276,
8507,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4][C@:7]1([C:6]([O:5][H:14])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(5)4-7/h5-7H,2,4H2,1H3/t5-,6-/m0/s1",73.25786,60.918659999999996,
8508,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:14])=[C:7]([H:17])[C:6]([H:15])([H:16])[O:5]1,"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C3H4O.C3H6/c1-2-4-3-1;1-3-2/h1-2H,3H2;3H,1H2,2H3",87.96244,21.9943,
8509,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([O+:5]=[C-:6][H:15])([H:14])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-3-6(4-5)7-2/h2,5-6H,3-4H2,1H3/t5-,6+",84.36516,44.17756,
8510,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7](\[C:6]([O:5][C:4](=[C:3]([H:12])[H:13])[H:14])([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-5-6-7-4-2/h3-5H,2,6H2,1H3/b5-3-",75.96733,-6.3453599999999994,
8511,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]1[C:2](=[C:3]([H:8])[H:9])[C@@:7]1([C:6]([C:5](=[O:4])[H:10])([H:11])[H:12])[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-4-5(7-4)2-3-6/h3,5H,1-2H2/t5-/m0/s1",58.21884,20.57873,
8512,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]=[C:7]([C:6]([C:5](=[O+:4][C-:3]([H:8])[H:9])[H:10])([H:11])[H:12])[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-7-5-3-2-4-6/h2,5H,1,3H2",85.71394000000001,68.44826,
8513,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]([C:3](=[O:4])[H:9])[C:7]1([H:13])[C:5]([H:10])([H:12])[C:6]1([H:8])[H:11],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-3-5(7)4-1-2-4/h3-4H,1-2H2",121.86396,-0.48625,
8514,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]([C:2]1=[C:7]2[C@@:5]([H:10])([O:4][C:3]1([H:8])[H:9])[C:6]2([H:11])[H:12])[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h5-6H,1-2H2/t5-/m0/s1",77.37454,46.892790000000005,ketoenol
8515,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]([C:3]([O+:4]=[C-:5][H:10])([H:8])[H:9])[C:7](=[C:6]([H:11])[H:12])[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-3-5(6)4-7-2/h2-3H,1,4H2",68.38946,61.047990000000006,
8516,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[C:3](=[O:4])([H:8])[H:9].[C:5]1([H:10])=[C:7]([H:13])[C:6]1([H:11])[H:12].[O+:1]#[C-:2],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C3H4.CH2O.CO/c1-2-3-1;2*1-2/h1-2H,3H2;1H2;",81.6636,54.04705,
8517,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[O+:4]=[C-:5][C:6]([H:11])([H:12])[C:7]1([H:10])[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-5-2-1-3-7-4-5/h1-2,4H2",61.90545,36.16543,
8518,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]([C:3]([O:4][H:11])([H:8])[H:9])[C:7]1([H:13])[C:5]([H:10])=[C:6]1[H:12],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-3-5(7)4-1-2-4/h1-2,4,6H,3H2",77.42118,34.147490000000005,
8519,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[O+:4]=[C-:5][C@:7]1([C:6]([H:10])([H:11])[H:12])[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-7-3-5(4)6/h4H,3H2,1H3/t4-/m1/s1",57.260780000000004,32.0573,
8520,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]1[C@:2]2([H:8])[C@@:3]1([H:9])[O:4][C@@:5]1([H:10])[C:6]([H:11])([H:12])[C@@:7]21[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-2-3(1)6-5-4(2)7-5/h2-5H,1H2/t2-,3+,4+,5+/m1/s1",66.72538,21.82766,
8521,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C:5]([H:10])=[C:7]1[C:6]([H:11])([H:12])[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-7-3-5(4)6/h2H,3H2,1H3",68.98141,-20.7827,
8522,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O-:1][C:2]1=[C:3]([H:8])[O+:4]=[C:5]([H:10])[C:6]([H:11])([H:12])[C:7]1([H:9])[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-5-2-1-3-7-4-5/h3-4H,1-2H2",87.74450999999999,26.67795,
8523,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O-:1][C:2]1=[C:3]([H:9])[O+:4]=[C:5]([H:10])[C@:7]1([C:6]([H:8])([H:11])[H:12])[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-7-3-5(4)6/h2-4H,1H3/t4-/m1/s1",71.31866,26.46943,
8524,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]1[C:2]2=[C:7]([H:13])[C@@:5]([H:10])([O:4][C:3]2([H:8])[H:9])[C:6]1([H:11])[H:12],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-6-5(1)3-7-4/h1,4H,2-3H2/t4-/m1/s1",114.51786000000001,89.35884,ketoenol
8525,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:13])[C:7]1=[C:6]([H:11])[H:12],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1",InChI=1S/C5H6O2/c1-4-2-7-3-5(4)6/h1-3H2,70.20012,-5.8171,
8526,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]=[C:3]([H:8])[H:9].[O:4]=[C:5]([C:7](=[C:6]([H:11])[H:12])[H:13])[H:10],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C3H4O.C2H2O/c1-2-3-4;1-2-3/h2-3H,1H2;1H2",84.10115,12.1499,
8527,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[H:9][H:10].[O-:1][C:2]1=[C:3]([H:8])[O+:4]=[C:5]2[C:6]([H:11])([H:12])[C@@:7]12[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H4O2.H2/c6-4-2-7-5-1-3(4)5;/h2-3H,1H2;1H/t3-;/m0./s1",98.10288,84.48986,
8528,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[H:9][H:13].[O-:1][C:2]1=[C:7]2[C@@:5]([H:10])([O+:4]=[C:3]1[H:8])[C:6]2([H:11])[H:12],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H4O2.H2/c6-4-2-7-5-1-3(4)5;/h2,5H,1H2;1H/t5-;/m0./s1",130.56003,89.58941,
8529,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]1[C@:2]2([C:7](=[C:6]([H:11])[H:12])[H:13])[C:3]([H:8])([H:9])[O:4][C@:5]12[H:10],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-2-5-3-6-4(5)7-5/h2,4H,1,3H2/t4-,5-/m1/s1",78.00392,36.60859,
8530,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C:5]([H:10])=[C:7]([H:13])[C:6]1([H:11])[H:12],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-5-2-1-3-7-4-5/h1,3H,2,4H2",73.9777,-11.16037,
8531,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]1[C@:2]2([C:3]1([H:8])[H:9])[O:4][C@@:5]1([H:10])[C:6]([H:11])([H:12])[C@@:7]21[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-3-4(1)7-5(3)2-6-5/h3-4H,1-2H2/t3-,4+,5-/m1/s1",100.47484,42.12493,
8532,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]([C:3]([O:4][H:10])([H:8])[H:9])[C@@:7]1([H:13])[C:5][C:6]1([H:11])[H:12],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-3-5(7)4-1-2-4/h4,6H,1,3H2/t4-/m1/s1",79.75922,74.07224000000001,
8533,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]([C:2]1=[C:3]([H:8])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:9],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h2-3,5-6H,1H2/t3-,5-/m0/s1",72.55752,13.21476,ketoenol
8534,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[H:8][H:9].[O-:1][C:2]1=[C:3]=[O+:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H4O2.H2/c6-4-2-7-5-1-3(4)5;/h3,5H,1H2;1H/t3-,5-;/m0./s1",86.60571,74.56509,
8535,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[O:1]1[C:2]2([C:3]([H:9])([H:10])[O:4][C:5]2([H:11])[H:12])[C@@:6]1([O:7][H:8])[H:13],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H6O3/c5-3-4(7-3)1-6-2-4/h3,5H,1-2H2/t3-/m1/s1",55.53937,18.37816,
8536,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[C-:6]#[O+:7].[O:1]([C:2]1([H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C3H6O2.CO/c4-3-1-5-2-3;1-2/h3-4H,1-2H2;",84.79451,2.7018400000000002,"1,2_Insertion_CO"
8537,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[C:6](=[O:7])([H:12])[H:13].[O:1]([C:2]1=[C:5]([H:11])[O:4][C:3]1([H:9])[H:10])[H:8],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C3H4O2.CH2O/c4-3-1-5-2-3;1-2/h1,4H,2H2;1H2",67.06532,37.503029999999995,
8538,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[O:1]([O:7][C:6](=[C:2]1[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:13])[H:8],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H6O3/c5-7-3-4-1-6-2-4/h3,5H,1-2H2",118.70841000000001,72.28661,ketoenol
8539,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[O:1]([C:2](=[C:3]([H:9])[H:10])[C:6](=[O:7])[H:13])[H:8].[O:4]=[C:5]([H:11])[H:12],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C3H4O2.CH2O/c1-3(5)2-4;1-2/h2,5H,1H2;1H2",55.81429,0.14225,2+2_cycloaddition
8540,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[C:2]1([C:6](=[O:7])[H:13])=[C:5]([H:12])[O:4][C:3]1([H:9])[H:10].[O:1]([H:8])[H:11],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H4O2.H2O/c5-1-4-2-6-3-4;/h1-2H,3H2;1H2",78.70499000000001,14.98751,"1,3_Insertion_ROR"
8541,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[O:1]([C:2]1=[C:6]([H:13])[O:7][C:5]([H:11])([H:12])[O:4][C:3]1([H:9])[H:10])[H:8],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H6O3/c5-4-1-6-3-7-2-4/h1,5H,2-3H2",68.23862,-4.57679,ketoenol
8542,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[O:1]([C:2]1([O+:7]=[C-:6][H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H6O3/c1-6-4(5)2-7-3-4/h1,5H,2-3H2",110.7004,63.305569999999996,
8543,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[O:1]([C@:2]([C:3]([O:4][H:11])([H:9])[H:10])([C:5][H:12])[C:6](=[O:7])[H:13])[H:8],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h1-2,6-7H,3H2/t4-/m1/s1",77.69792,72.57106,
8544,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([N:3]=[C:2]=[C:7]([C:5](=[O:4])[N:6]([H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H6N2O/c1-6-3-2-4(5)7/h2H,1H3,(H2,5,7)",48.46047,-8.66354,
8545,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:3][C@@:7]1([C:5](=[O:4])[N:6]([H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H6N2O/c1-2-3(6-2)4(5)7/h3H,1H3,(H2,5,7)/t3-/m0/s1",56.00156,-1.1029200000000001,ketoenol
8546,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]=[C:5]([N:6]([H:11])[H:12])[O:4][N:3]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h6H,5H2,1H3",102.86745,54.58699,
8547,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@:2]1([N:3]=[O:4])[C:5]([N:6]([H:11])[H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H6N2O/c1-4(6-7)2-3(4)5/h2H,5H2,1H3/t4-/m1/s1",92.78683000000001,73.15132,ketoenol
8548,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]=[O:4])=[C:7]=[C:5]([N:6]([H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H6N2O/c1-4(6-7)2-3-5/h3H,5H2,1H3",82.51516,63.688719999999996,
8549,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([c:2]1[n:3]([H:12])[o:4]/[c:5](=[N:6]/[H:11])[c:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2,5-6H,1H3/b5-4+",107.53773999999999,19.143629999999998,
8550,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:3][O:4]/[C:5](=[N:6]\[H:12])[C:7]1([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h5H,2H2,1H3/b5-4-",76.26494,9.18031,
8551,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]=[C:5]([N+:6]([H:11])([H:12])[H:13])[O:4][N-:3]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H5N2O/c1-3-2-4(5)7-6-3/h5H2,1H3/q-1/p+1",90.47667,80.82444,
8552,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N-:3][O+:4]=[C:5]=[C:7]1[H:13])([H:8])[H:10].[N:6]([H:9])([H:11])[H:12],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H3NO.H3N/c1-4-2-3-6-5-4;/h2H,1H2;1H3",153.87223999999998,116.21516000000001,
8553,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1](=[C:2]1/[O:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])/[C:6]1=[N:7]/[H:9])\[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c5-3-1-2-7-4(3)6/h5-6H,1-2H2/b5-3-,6-4+",95.72799,1.86375,
8554,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1](=[C:6]1[C:2]([H:9])=[O+:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[N-:7]1)[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c5-4-3-7-2-1-6-4/h3H,1-2H2,(H-,5,6)",112.66134,58.51899,
8555,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1](=[C:2])[H:8].[O:3]([C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C3H5NO.CHN/c4-2-1-3-5;1-2/h5H,1,3H2;2H",72.82672,29.853270000000002,
8556,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[C:4](=[C:5]([H:12])[H:13])([H:10])[H:11].[N:1](=[C:2](/[O:3][C:6]#[N:7])[H:9])\[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C2H2N2O.C2H4/c3-1-5-2-4;1-2/h1,3H;1-2H2/b3-1+;",90.15632,41.099070000000005,
8557,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1](=[C:2]([H:9])[H:11])[H:8].[O:3]=[C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])[H:10],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C3H3NO.CH3N/c4-2-1-3-5;1-2/h3H,1H2;2H,1H2",83.9278,22.89329,
8558,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]([C-:2]=[O+:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h1,3,6H2",80.05376,35.10073,
8559,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]([C:2](=[O:3])[H:9])([C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c5-2-1-3-6-4-7/h4H,1,3H2,(H,6,7)",57.13666,-14.8426,ketoenol
8560,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]([C:2](=[O+:3][C-:4]([H:10])[H:11])[H:9])([C:6]1=[N:7][C:5]1([H:12])[H:13])[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c1-7-3-6-4-2-5-4/h3H,1-2H2,(H,5,6)",122.57982,107.09177,
8561,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]([C:2]1=[N+:7]=[C-:6][C:5]([H:12])([H:13])[C:4]([H:10])([H:11])[O:3]1)([H:8])[H:9],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c5-4-6-2-1-3-7-4/h1,3,5H2",125.38147,50.02422,
8562,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[C:4](=[C:5]([C:6]#[N:7])[H:12])([H:10])[H:11].[N:1]([C:2](=[O:3])[H:9])([H:8])[H:13],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C3H3N.CH3NO/c1-2-3-4;2-1-3/h2H,1H2;1H,(H2,2,3)",36.10474,2.1139099999999997,Retroene
8563,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1](=[C:2]([N:7]=[C:6]=[C:5]([H:12])[H:13])[H:9])[H:8].[O:3]=[C:4]([H:10])[H:11],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C3H4N2.CH2O/c1-2-5-3-4;1-2/h3-4H,1H2;1H2",82.92698,47.37008,
8564,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[C:6](#[N:7])[H:11].[N:1](=[C:2](/[O:3][C:4](=[C:5]([H:12])[H:13])[H:10])[H:9])\[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C3H5NO.CHN/c1-2-5-3-4;1-2/h2-4H,1H2;1H/b4-3+;",105.26771000000001,27.36295,
8565,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1](=[C:2](/[O:3][C:4]([C:5]([N+:7]#[C-:6])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c1-6-2-3-7-4-5/h4-5H,2-3H2/b5-4+",60.26113,23.33458,
8566,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]1([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]1=[N:7]2,"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c1-2-7-4-5-3(1)6-4/h4H,1-2H2,(H,5,6)",81.89684,75.21155999999999,
8567,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]1([H:8])[C:2]([H:9])([H:12])[O:3][C:4]([H:10])([H:11])[C:5]([H:13])=[C:6]=[N:7]1,"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c1-2-5-6-4-7-3-1/h1,6H,3-4H2",96.75799,71.08248,
8568,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1](=[C:2]1/[O:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C-:6]=[N+:7]1[H:9])\[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c5-4-6-2-1-3-7-4/h5-6H,1,3H2/b5-4+",104.55354,39.34218,
8569,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]=[N:7][H:16])[H:11])([H:8])([H:9])[H:10].[C:4]([C:5]([H:12])([H:13])[H:14])#[C:6][H:15],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C3H5N.C3H4/c1-2-3-4;1-3-2/h2,4H,1H3;1H,2H3",138.94485,71.75908000000001,
8570,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:3][C:4](=[C:5]([H:13])[H:14])[C+:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-6(2)7-4-5;/h4,7H,1H2,2H3;1H",127.14171,106.95472,
8571,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@@:3]([H:11])([C:4]([H:12])=[C:6]([H:15])[N:7]1[H:16])[C:5]2([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-6-4-5(6)2-3-7-6/h2-3,5,7H,4H2,1H3/t5-,6+/m0/s1",104.27019,33.67129,
8572,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2][N:7]([C:6](=[C:4]=[C:3]([C:5]([H:12])([H:13])[H:14])[H:11])[H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-3-5-6-7-4-2/h3,6-7H,1-2H3",155.6618,88.97122,
8573,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])=[N:7]1)([H:8])[H:9].[H:10][H:16],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-6(2)7-4-5;/h3-4H,2H2,1H3;1H",97.96724,41.6904,
8574,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([C:5]([H:12])([H:13])[H:14])[C:6]([H:10])([H:15])[N:7]1[H:16])([H:8])[H:9],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3,7H,2,4H2,1H3",93.03618,19.78238,Intra_ene_reaction
8575,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C@@:3]([C:5]([H:12])([H:13])[H:14])([H:11])[C-:4]=[C:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h4-5,7H,1-2H3/t5-/m1/s1",105.93583000000001,78.75775,
8576,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3]([H:11])=[C-:4][C@:6]([C:5]([H:12])([H:13])[H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3,6-7H,1-2H3/t6-/m1/s1",86.58825,63.984,
8577,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C@@:4]([C:5]([H:12])([H:13])[H:14])([H:15])[C:6][N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3,5,7H,1-2H3/t5-/m0/s1",59.266090000000005,52.98729,Singlet_Carbene_Intra_Disproportionation
8578,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[C:2][N:7]([H:16])[C:6]([H:15])=[C:4]1[C:5]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-7-4-6(5)2/h3,6-7H,1-2H3/t6-/m0/s1",81.66448000000001,54.40663000000001,
8579,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([C:5]([H:12])([H:13])[H:14])=[C-:6][N+:7]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3H,7H2,1-2H3",87.27229,78.42818,
8580,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C:6]([H:15])([H:16])[C:4]([C:5]([H:12])([H:13])[H:14])=[C:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3H,4H2,1-2H3",44.999759999999995,10.63713,
8581,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3](=[C:4]=[C:6]([C:5]([H:12])([H:13])[H:14])[H:15])[H:11])=[N:7]\[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-3-4-5-6(2)7/h3,5,7H,1-2H3/b7-6+",108.27821000000002,42.13854,
8582,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C:6]([H:15])=[C:4]([C:5]([H:12])([H:13])[H:14])[C:3]1([H:11])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h4H,3H2,1-2H3",45.56759,12.960460000000001,
8583,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[C:4]([C:5]([H:12])([H:13])[H:14])[C+:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h4,6-7H,1-2H3/t6-/m0/s1",71.21598,68.28976999999999,Singlet_Carbene_Intra_Disproportionation
8584,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:16])[C:3]([H:11])=[C:4]([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,6H,1-2H3/t6-/m0/s1",45.60605,15.77832,
8585,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([N+:7]1([H:16])[C-:2]=[C:3]([H:11])[C:4]([C:5]([H:12])([H:13])[H:14])=[C:6]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-6-3-4-7(2)5-6/h3,5,7H,1-2H3",113.15401999999999,83.75197,
8586,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C+:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c-:6][n:7]1[H:16])([H:8])[H:9].[H:10][H:15],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-6(2)7-4-5;/h3,7H,2H2,1H3;1H",131.35018,78.14909,
8587,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])=[C:4]([C:5]([H:12])([H:13])[H:14])[C@@:6]1([H:15])[N:7]2[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-4-3-6(2)5(4)7-6/h3,5,7H,1-2H3/t5-,6+/m1/s1",99.60865,68.23478,Intra_2+2_cycloaddition_Cd
8588,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([C:4]([C:5]([H:12])([H:13])[H:14])=[C:6]=[N:7][H:16])[H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-3-4-6(2)5-7/h3-4,7H,1-2H3",119.76255,38.090990000000005,
8589,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:3][C@@:4]([C:5]([H:12])([H:13])[H:14])([H:11])[C+:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h4-5,7H,1-2H3/t5-/m0/s1",81.62885,81.60734000000001,
8590,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:5]([H:12])([H:13])[H:14])[C:3]([H:11])=[C:4]=[C:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-6(2)4-3-5-7-6/h4-5,7H,1-2H3",108.26851,73.51997,
8591,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])[C-:3]([H:11])[C:4](=[C:5]([H:13])[H:14])[C+:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,6-7H,1H2,2H3/t6-/m0/s1",124.28671999999999,71.78774,
8592,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:10])([H:11])[C:4]([C:5]([H:12])([H:13])[H:14])=[C:6]([H:15])[N:7]1[H:16])([H:8])[H:9],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h4,7H,2-3H2,1H3",91.8213,21.3021,
8593,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2]([C@@:3]1([H:11])[C:4]([C:5]([H:12])([H:13])[H:14])=[C:6]1[H:15])=[N:7]\[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-4-3-6(4)5(2)7/h3,6-7H,1-2H3/b7-5+/t6-/m1/s1",104.01073000000001,57.36865,
8594,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4](=[C:5]([H:13])[H:14])[C:6]([H:12])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3,7H,1,4H2,2H3",92.27073,20.82779,
8595,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C-:1]1([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N+:7]12[H:8],"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h3-7H,1-2H2/t4-,5+,6-/m0/s1",65.33185,48.40665,
8596,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C:1]1([H:8])([H:9])[C:2][C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]2([H:15])[H:16])[N:7]1[H:10],"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-2-7-6-3-5(1)4-6/h5-7H,2-4H2/t5-,6+",60.69076,42.131370000000004,
8597,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C-:1]([N+:7]1=[C:2]([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[C:6]2([H:15])[H:16])([H:8])[H:9],"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-7-4-5-2-6(7)3-5/h4-6H,1-3H2/t5-,6+",52.443780000000004,21.69408,
8598,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C:1]1([H:8])([H:9])[C@:2]([C:3](=[C:6]([H:15])[H:16])[H:11])([H:10])[N:7]1[C:5](=[C:4]([H:12])[H:13])[H:14],"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-3-6-5-7(6)4-2/h3-4,6H,1-2,5H2/t6-,7?/m1/s1",58.6418,-2.85855,
8599,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@:3]([C:6][H:15])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:16])[N:7]12,"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-5-2-3-7-4-6(5)7/h1,5-6H,2-4H2/t5-,6-,7?/m0/s1",75.55748,57.7218,
8600,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C:1](=[C:2](/[N:7]=[C:5](\[C:6]([C:3](=[C:4]([H:12])[H:13])[H:11])([H:15])[H:16])[H:14])[H:10])([H:8])[H:9],"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-3-5-6-7-4-2/h3-4,6H,1-2,5H2/b7-6-",76.11301,-20.82878,
8601,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3][C:6]([H:15])([H:16])[C@@:5]([C:4]([H:11])([H:12])[H:13])([H:14])[N:7]12,"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-5-2-3-6-4-7(5)6/h5-6H,2,4H2,1H3/t5-,6+,7?/m0/s1",71.00189,38.242020000000004,
8602,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C:1]([N:7]1[C@:2]2([H:10])[C@:3]3([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C@:6]23[H:16])([H:8])([H:9])[H:15],"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m1/s1",97.27083,14.15557,
8603,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C:1]1([H:8])([H:9])[C:2]([H:10])=[N:7]1.[C:3]1([H:11])=[C:6]([H:15])[C:5]([H:14])([H:16])[C:4]1([H:12])[H:13],"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C4H6.C2H3N/c1-2-4-3-1;1-2-3-1/h1-2H,3-4H2;1H,2H2",92.69348000000001,28.274079999999998,
8604,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C:1]([C@@:2]1([H:10])[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@:6]2([H:16])[C:5]([H:14])=[N:7]1)([H:8])([H:9])[H:15],"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-4-6-2-5(6)3-7-4/h3-6H,2H2,1H3/t4-,5+,6-/m0/s1",82.54672,-37.41962,
8605,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C:1](=[N:7][C:5]1([H:14])[C:4]([H:12])([H:13])[C:2]([H:10])=[C:3]([H:11])[C:6]1([H:15])[H:16])([H:8])[H:9],"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-7-6-4-2-3-5-6/h2-3,6H,1,4-5H2",105.39978,-33.10644,
8606,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]2([H:11])[C:3]([H:12])([H:13])[C@@:4]([O:5][H:14])([C:6]([H:10])([H:15])[H:16])[C@@:7]12[H:17],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-6(7)3-4-2-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6-/m0/s1",94.97365,-1.6904099999999997,
8607,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4](=[O:5])[C:6]([H:15])([H:16])[C:7]1([H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3/t5-/m1/s1",58.867290000000004,-42.76191,
8608,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([O:5][H:14])([H:16])[C@:7]1([C:6][H:15])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-4-3-6(7)5(4)2/h2,4-7H,3H2,1H3/t4-,5-,6-/m0/s1",68.5657,67.66241,
8609,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C:4]1([O:5][H:14])[C:6]([H:15])=[C:7]1[H:17])([H:12])[H:13])[H:11])([H:8])[H:9].[H:10][H:16],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-2-3-6(7)4-5-6;/h2,4-5,7H,1,3H2;1H",96.22256,46.72983,
8610,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:7]([C:6]([C:4](=[C:3]([H:12])[H:13])[O:5][H:14])([H:15])[H:16])([H:10])[H:17])[H:11])([H:8])[H:9],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3,7H,1-2,4-5H2",87.40748,-12.75881,
8611,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:7]1([H:17])[C@:4]([C:3]([H:11])([H:12])[H:13])([O:5][H:14])[C:6]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-5-4-6(5,2)7/h5,7H,4H2,1-2H3/t5-,6-/m1/s1",78.6054,59.50584,
8612,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([O:5][H:14])=[C:6]([H:16])[C:7]1([H:15])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h3,5,7H,2,4H2,1H3/t5-/m1/s1",60.74783000000001,-31.19805,
8613,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([O:5][H:14])([H:16])[C:6]([H:15])=[C:7]1[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h2-3,5-7H,4H2,1H3/t5-,6-/m1/s1",68.56766,-25.28216,
8614,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:7]1([C:4]([O:5][H:14])=[C:6]([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-4-3-6(4)5(2)7/h4,6-7H,2-3H2,1H3/t4-,6-/m0/s1",68.94232,-11.665610000000001,
8615,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:7]1([C:6]([C:4][O:5][H:14])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h5-7H,2,4H2,1H3/t5-,6+/m0/s1",65.93493000000001,38.15554,
8616,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3][H:13])([C@@:7]1([H:17])[C@@:4]([O:5][H:14])([H:12])[C:6]1([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-4(2)5-3-6(5)7/h1,4-7H,3H2,2H3/t4-,5+,6-/m1/s1",83.9772,77.58319,
8617,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])[H:9].[H:10][H:11],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-4-2-6(7)3-5(4)6;/h5,7H,1-3H2;1H/t5-,6+;/m0./s1",113.92018999999999,29.67328,
8618,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4][O:5][H:14])([H:12])[H:13])([C:7](=[C:6]([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-6(2)4-5-7/h3,6-7H,1,4H2,2H3/t6-/m1/s1",53.00261,33.754540000000006,
8619,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4][C:6]([H:15])([H:16])[C@@:7]1([O:5][H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5-7H,3-4H2,1H3/t5-,6-/m0/s1",82.66381,40.99945,
8620,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:7]1([H:17])[C:4](=[O:5])[C:6]1([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-4(2)5-3-6(5)7/h4-5H,3H2,1-2H3/t5-/m0/s1",76.08698000000001,-4.6771199999999995,
8621,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([C:4]1([O:5][H:14])[C:6]([H:15])([H:16])[C:7]1([H:11])[H:17])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-2-3-6(7)4-5-6/h7H,3-5H2,1H3",82.68802,62.3825,
8622,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([O:5][H:14])([H:17])[C:6]([H:15])([H:16])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5-7H,3-4H2,1H3/t5-,6+/m1/s1",64.21651,41.38428,
8623,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:4]/[C:5]([O:6][H:16])=[N:7]\[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)",49.32036,18.93836,ketoenol
8624,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])[C:3]([H:13])([H:14])[O:4][C@:5]1([O:6][H:11])[N:7]([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO2/c1-3-2-7-4(3,5)6/h3,6H,2,5H2,1H3/t3-,4-/m0/s1",88.00115,33.28396,
8625,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:12])([H:8])([H:9])[H:10].[O:4]=[C:5]([O:6][H:11])[N:7]([H:15])[H:16],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C3H6.CH3NO2/c1-3-2;2-1(3)4/h3H,1H2,2H3;2H2,(H,3,4)",47.23202,11.63509,Retroene
8626,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[O:4][C:5]1=[O:6].[N:7]([H:10])([H:15])[H:16],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)",InChI=1S/C4H6O2.H3N/c5-4-2-1-3-6-4;/h1-3H2;1H3,88.16358000000001,13.514320000000001,
8627,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[O:4][C@:5]1([O:6][H:10])[N:7]([H:15])[H:16],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO2/c5-4(6)2-1-3-7-4/h6H,1-3,5H2/t4-/m0/s1",82.73564,23.91958,
8628,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:4][H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:15],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C3H8O.CHNO/c1-2-3-4;2-1-3/h4H,2-3H2,1H3;2H",53.31466999999999,21.1708,"1,3_Insertion_ROR"
8629,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[C:3](=[O:4])([H:13])[H:14].[C:5](=[O:6])([N:7]([H:15])[H:16])[H:10],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C2H4.CH3NO.CH2O/c1-2;2-1-3;1-2/h1-2H2;1H,(H2,2,3);1H2",100.32789,54.024,
8630,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:15].[H:13][H:16],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C3H6O.CHNO.H2/c1-2-3-4;2-1-3;/h3H,2H2,1H3;2H;1H",79.45125999999999,38.08563,
8631,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1](=[C:2]1/[C:3]([H:9])=[C:4]=[C:5]([O:6][H:10])[O:7]1)\[H:8],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1,5-6H/b5-3-",80.41578,63.256209999999996,ketoenol
8632,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C+:4]=[C:5]([O-:6])[O:7]1)\[H:8],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h5H,1H2/b5-3-",80.1799,82.16635,Singlet_Carbene_Intra_Disproportionation
8633,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[o+:6][c-:5][o:7]1)\[H:8],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C4H3NO2/c5-4-1-2-6-3-7-4/h1-2,5H/b5-4-",105.71779,60.251380000000005,
8634,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[C-:5]#[O+:7].[N:1](=[C:2]=[C:3]([C:4](=[O:6])[H:10])[H:9])[H:8],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C3H3NO.CO/c4-2-1-3-5;1-2/h1,3-4H;",79.65284,31.472609999999996,
8635,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1](=[C:2]1/[C@@:3]2([H:9])[C@@:4]([H:10])([C-:5]=[O+:7]1)[O:6]2)\[H:8],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C4H3NO2/c5-4-3-2(7-3)1-6-4/h2-3,5H/b5-4-/t2-,3-/m1/s1",125.43818,95.52942,
8636,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1]([C:2]1=[C:3]=[C:4]([H:10])[C:5](=[O:6])[O:7]1)([H:8])[H:9],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h2H,5H2",70.15111,45.30741,
8637,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1]1([H:8])[C:2](=[O:7])[C@@:3]1([C:4](=[C:5]=[O:6])[H:10])[H:9],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C4H3NO2/c6-2-1-3-4(7)5-3/h1,3H,(H,5,7)/t3-/m0/s1",57.197419999999994,46.93888,
8638,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1](=[C:2]1/[C:3][C:4]([H:9])([H:10])[C:5](=[O:6])[O:7]1)\[H:8],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h5H,2H2/b5-3-",79.00525999999999,78.8681,Singlet_Carbene_Intra_Disproportionation
8639,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1](=[C:2]=[O:7])[H:8].[c:3]1([H:9])[c:4]([H:10])[c:5]1=[O:6],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-",InChI=1S/C3H2O.CHNO/c4-3-1-2-3;2-1-3/h1-2H;2H,81.7609,49.05536,
8640,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1](=[C:2]1/[C@:3]([C:4](=[C:5]=[O:6])[H:10])([H:9])[O:7]1)\[H:8],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C4H3NO2/c5-4-3(7-4)1-2-6/h1,3,5H/b5-4-/t3-/m1/s1",62.34033,49.070640000000004,
8641,[C:1]([n:2]1[n:3][c:4]([H:11])[o:5][c:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:6]1[O:5][O:7]1)([H:8])([H:9])[H:10].[N:3]#[C:4][H:11],"InChI=1S/C3H4N2O2/c1-5-3(6)7-2-4-5/h2H,1H3",InChI=1S/C2H3NO2.CHN/c1-3-2-4-5-2;1-2/h1H3;1H,138.50519,100.77474000000001,
8642,[C:1]([n:2]1[n:3][c:4]([H:11])[o:5][c:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:7][c:6]1[n:2][n:3][c:4]([H:11])[o:5]1)([H:8])([H:9])[H:10],"InChI=1S/C3H4N2O2/c1-5-3(6)7-2-4-5/h2H,1H3","InChI=1S/C3H4N2O2/c1-6-3-5-4-2-7-3/h2H,1H3",84.81119,21.92868,ketoenol
8643,[C:1]([n:2]1[n:3][c:4]([H:11])[o:5][c:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](=[N+:2]([N-:3][C:4](=[O:5])[H:11])[C:6](=[O:7])[H:10])([H:8])[H:9],"InChI=1S/C3H4N2O2/c1-5-3(6)7-2-4-5/h2H,1H3","InChI=1S/C3H4N2O2/c1-5(3-7)4-2-6/h2-3H,1H2",114.48751999999999,47.33505,
8644,[C:1]([n:2]1[n:3][c:4]([H:11])[o:5][c:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([N:2]1[N:3]([C:4](=[O:5])[H:11])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C3H4N2O2/c1-5-3(6)7-2-4-5/h2H,1H3","InChI=1S/C3H4N2O2/c1-4-3(7)5(4)2-6/h2H,1H3",57.599219999999995,49.25326,ketoenol
8645,[C:1]([n:2]1[n:3][c:4]([H:11])[o:5][c:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([N:2]1[N:3]=[C:4]1[H:11])([H:8])([H:9])[H:10].[O:5]=[C:6]=[O:7],"InChI=1S/C3H4N2O2/c1-5-3(6)7-2-4-5/h2H,1H3","InChI=1S/C2H4N2.CO2/c1-4-2-3-4;2-1-3/h2H,1H3;",85.55085,49.62272,
8646,[C:1]([n:2]1[n:3][c:4]([H:11])[o:5][c:6]1=[O:7])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1](/[N:2]=[N:3]/[C:4](=[O:5])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H4N2O2/c1-5-3(6)7-2-4-5/h2H,1H3","InChI=1S/C2H4N2O.CO/c1-3-4-2-5;1-2/h2H,1H3;/b4-3+;",70.01308,41.23792,
8647,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]=[O+:3][C:4]1([H:11])[C:5]([H:12])([H:13])[O:6][C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-2-7-5-3-6-4-5/h5H,3-4H2,1H3",76.77883,39.104690000000005,
8648,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C-:5]([H:13])[O+:6]=[C:7]2[H:14])([H:8])([H:9])[H:10].[H:12][H:15],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H6O2.H2/c1-4-5(7-4)2-6-3-5;/h2-4H,1H3;1H/t4-;/m1./s1",98.56433,91.17766999999999,
8649,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:4]1([O+:3]=[C-:2][H:11])[C:5]([H:12])([H:13])[O:6][C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-5(6-2)3-7-4-5/h2H,3-4H2,1H3",103.95163000000001,48.691,
8650,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:4]1([O:3][H:10])[C:5]([H:12])([H:13])[O:6][C:7]1([H:14])[H:15])[H:11])([H:8])[H:9],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-2-5(6)3-7-4-5/h2,6H,1,3-4H2",60.06358,-6.2201699999999995,
8651,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]2([C:5]1([H:12])[H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(7-4)3-6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1",79.92304,-9.21537,
8652,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]12[C:5]([H:12])([H:13])[O+:6]=[C-:7]2)([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H6O2.H2/c1-4-5(7-4)2-6-3-5;/h4H,2H2,1H3;1H/t4-,5+;/m1./s1",86.26129,69.60942,
8653,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]([O+:3]=[C:4]1[C:5]([H:12])([H:13])[O:6][C:7]1([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-2-7-5-3-6-4-5/h2H,3-4H2,1H3",69.03325,56.91948000000001,
8654,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2][C:4]1([O:3][H:11])[C:5]([H:12])([H:13])[O:6][C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-2-5(6)3-7-4-5/h6H,3-4H2,1H3",69.80237,63.46601,
8655,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]1([C:7]([O+:6]=[C-:5][H:13])([H:14])[H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-4-5(7-4)3-6-2/h2,4-5H,3H2,1H3/t4-,5+/m1/s1",84.6839,50.01916,
8656,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C+:2]=[C:4]([O-:3])[C:7]([O:6][C:5]([H:11])([H:12])[H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-3-5(6)4-7-2/h4H2,1-2H3",108.98343,43.05788,
8657,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([O:3][C:4]1([C:2][H:11])[C:5]([H:12])([H:13])[O:6][C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-5(6-2)3-7-4-5/h1H,3-4H2,2H3",115.97331000000001,81.79738,
8658,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][H:12])([H:8])([H:9])[H:10].[C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])([C:7]([H:19])([H:20])[H:21])[H:11],"InChI=1S/C6H14O/c1-6(2,3)5-7-4/h5H2,1-4H3","InChI=1S/C4H10.C2H4O/c1-4(2)3;1-3-2/h4H,1-3H3;1H,2H3",82.81653,67.33131999999999,
8659,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])[H:12])([H:9])[H:10].[H:8][H:11],"InChI=1S/C6H14O/c1-6(2,3)5-7-4/h5H2,1-4H3","InChI=1S/C6H12O.H2/c1-6(2,3)5-7-4;/h5H,4H2,1-3H3;1H",83.82961,84.15611,
8660,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:19].[C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])=[C:7]([H:20])[H:21].[O:2]=[C:3]([H:11])[H:12],"InChI=1S/C6H14O/c1-6(2,3)5-7-4/h5H2,1-4H3","InChI=1S/C4H8.CH2O.CH4/c1-4(2)3;1-2;/h1H2,2-3H3;1H2;1H4",97.58128,23.524739999999998,
8661,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4](=[C:5]([H:14])[H:15])[C:7]([H:19])([H:20])[H:21])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([H:13])([H:16])([H:17])[H:18],"InChI=1S/C6H14O/c1-6(2,3)5-7-4/h5H2,1-4H3","InChI=1S/C5H10O.CH4/c1-5(2)4-6-3;/h1,4H2,2-3H3;1H4",110.69035,19.039279999999998,
8662,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4][C:5]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([C:7]([H:19])([H:20])[H:21])([H:16])([H:17])[H:18],"InChI=1S/C6H14O/c1-6(2,3)5-7-4/h5H2,1-4H3","InChI=1S/C4H8O.C2H6/c1-3-4-5-2;1-2/h4H2,1-2H3;1-2H3",147.12492,91.60449,
8663,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@:5]1([H:15])[C:4]([H:13])=[C:2]([O:3][H:11])[C:7]([H:18])([H:19])[C:6]1([H:16])[H:17])([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H10O.H2/c1-5-2-3-6(7)4-5;/h4-5,7H,2-3H2,1H3;1H/t5-;/m0./s1",156.37317,25.19489,
8664,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H10O.H2/c1-5(7)6-3-2-4-6;/h6H,2-4H2,1H3;1H",104.56445,33.17372,
8665,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:4]([H:12])([H:13])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[C:7]2([H:18])[H:19])([H:8])([H:9])[H:10].[O:3]([H:11])[H:14],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H10.H2O/c1-6-3-2-5(6)4-6;/h5H,2-4H2,1H3;1H2/t5-,6+;/m1./s1",95.11457,38.26266,
8666,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:11])[C:4]([C:5]([C:6]([C:7]([H:10])([H:18])[H:19])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:8])[H:9],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-4-5-6(2)7/h7H,2-5H2,1H3",100.60692,12.16948,
8667,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:7]([C:6]([C:5]([C:4]([H:11])([H:12])[H:13])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3",75.94771,1.27118,
8668,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:11])=[C:4](\[C:5]([C:6]([C:7]([H:13])([H:18])[H:19])([H:16])[H:17])([H:14])[H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-4-5-6(2)7/h5,7H,3-4H2,1-2H3/b6-5+",104.89702,10.3058,
8669,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:4]([H:12])[H:13])[C:7]([C:6]([C:5]([O:3][H:11])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H12O/c1-6(2)4-3-5-7/h7H,1,3-5H2,2H3",112.54001000000001,18.577479999999998,
8670,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2]1([O:3][H:11])=[C:4]([H:12])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C5H8O.CH4/c6-5-3-1-2-4-5;/h3,6H,1-2,4H2;1H4",105.27951000000002,15.16039,
8671,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([C:7]([H:15])([H:18])[H:19])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m1/s1",123.53316000000001,23.05823,
8672,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@:2]([O:3][H:11])([C:7]([C:6]([C:5](=[C:4]([H:12])[H:13])[H:15])([H:16])[H:17])([H:18])[H:19])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1",109.57633999999999,18.110960000000002,
8673,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:11])=[C:7](/[C:6]([H:16])([H:17])[H:19])[H:18])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C4H8O.C2H4/c1-3-4(2)5;1-2/h3,5H,1-2H3;1-2H2/b4-3-;",113.15883000000001,33.71736,
8674,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:7]([H:18])[H:19])([H:8])([H:9])[H:10].[C:4](=[C:5]([C:6]([H:15])([H:16])[H:17])[H:14])([H:12])[H:13],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C3H6O.C3H6/c1-3(2)4;1-3-2/h4H,1H2,2H3;3H,1H2,2H3",114.25915,32.07926,
8675,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10].[C:5](=[C:6]([H:16])[H:17])([H:14])[H:15],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C4H8O.C2H4/c1-4(5)2-3-4;1-2/h5H,2-3H2,1H3;1-2H2",130.49329,46.408190000000005,
8676,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1(=[O:3])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3",InChI=1S/C5H8O.CH4/c6-5-3-1-2-4-5;/h1-4H2;1H4,80.6897,1.9388900000000002,
8677,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([C:5]([C:6](=[C:7]([H:18])[H:19])[H:16])([H:14])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10].[H:11][H:17],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H10O.H2/c1-3-4-5-6(2)7;/h3H,1,4-5H2,2H3;1H",90.29411999999999,30.615509999999997,
8678,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2][C:7]([C:6]([C:5]([C:4]([O:3][H:11])([H:12])[H:13])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H12O/c1-2-3-4-5-6-7/h7H,3-6H2,1H3",121.31501000000002,86.65115,
8679,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:4]([C:2](=[O:3])[C:7]([C:6]([C:5]([H:11])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3",103.23357,0.39325,
8680,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:12])([H:13])[C:4]1=[O:5])([H:8])([H:9])[H:10].[H:11][H:15].[O:6]=[C:7]([H:14])[H:16],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C3H5NO.CH2O.H2/c1-4-2-3(4)5;1-2;/h2H2,1H3;1H2;1H",119.19912,69.77597,
8681,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]([C:3](=[C:4]([O-:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h3,5-6H,1-2H3",61.73689,32.70583,
8682,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C-:1]([N:2]([C+:3]([H:12])[H:13])[H:11])([H:8])[H:10].[C:4](=[O:5])([O:6][C:7]([H:14])([H:15])[H:16])[H:9],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C2H5N.C2H4O2/c1-3-2;1-4-2-3/h3H,1-2H2;2H,1H3",69.0063,58.30116999999999,
8683,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C-:4]([O:5][H:11])=[O+:6][C:7]([H:14])([H:15])[H:16].[C:1]([N:2]=[C:3]([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C2H5N.C2H4O2/c1-3-2;1-4-2-3/h1H2,2H3;3H,1H3",66.57500999999999,64.94853,
8684,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][H:11])([H:8])[H:10].[C:3](=[C:4]([O:5][H:9])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C3H6O2.CH3N/c1-3(4)5-2;1-2/h4H,1H2,2H3;2H,1H2",74.76479,39.20218,Retroene
8685,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([C:4](=[O:5])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[O:6]=[C:7]([H:14])[H:16],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C3H7NO.CH2O/c1-4-2-3-5;1-2/h3-4H,2H2,1H3;1H2",77.31416999999999,33.79645,
8686,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3](=[C:4](\[O:5][H:12])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h3,5-6H,1-2H3/b4-3+",78.68946,22.92776,ketoenol
8687,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]([C:3]([C:4](=[O:5])[O-:6])([H:12])[H:13])([C:7]([H:14])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)",67.97507,21.476770000000002,
8688,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[N+:2](=[C:3](/[C+:4]([O-:5])[O-:6])[H:13])[H:11])([H:8])([H:9])[H:10].[C:7]([H:12])([H:14])([H:15])[H:16],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C3H4NO2.CH4/c1-4-2-3(5)6;/h2H,1H3;1H4/q-1;/p+1/b4-2+;",82.89604,20.03989,
8689,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]([C:3]1=[C:4]([H:9])[N:5]1/[C:6](=[N:7]/[H:11])[H:10])[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c5-3-6-1-4(6)2-7/h1-3,5H/b5-3+",114.50773000000001,97.04127,
8690,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]([C@:3]1([H:9])[C-:4]=[N+:5]=[C:6]([H:10])[N:7]1[H:11])[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h2-4,6H/t4-/m0/s1",81.24279,74.7405,Singlet_Carbene_Intra_Disproportionation
8691,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[H:8][H:9].[O:1]=[C-:2][C:3]1=[C:4]=[N+:5]=[C:6]([H:10])[N:7]1[H:11],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)",InChI=1S/C4HN2O.H2/c7-2-4-1-5-3-6-4;/h3H;1H/q-1;/p+1,104.87635,95.43854,
8692,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]=[C:6]([H:10])[N:7]1[H:11],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h3H,1H2,(H,5,6)",98.8216,36.73511,
8693,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]=[C:3]1[C:4]([H:9])=[N:5][C:6]([H:8])([H:10])[N:7]1[H:11],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1,6H,3H2",92.20235,39.37789,
8694,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]([C:3]1=[N:7][C:6]([H:10])([H:11])[N:5]=[C:4]1[H:9])[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-2H,3H2",54.36865,28.47198,
8695,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]([C@@:3]12[C:4]([H:9])=[N:5][C@:6]1([H:10])[N:7]2[H:11])[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c7-2-4-1-5-3(4)6-4/h1-3,6H/t3-,4+/m1/s1",93.95291,81.82157,
8696,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]([c:3]1[c-:4][n:5]([H:9])[c+:6]([H:10])[n:7]1[H:11])[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h2-3,5-6H",83.04363000000001,44.22071,
8697,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O+:1]#[C-:2].[c:3]1([H:8])[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C3H4N2.CO/c1-2-5-3-4-1;1-2/h1-3H,(H,4,5);",93.52856,5.078130000000001,"1,2_Insertion_CO"
8698,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]([C@@:3]1([H:11])[C:4]([H:9])=[N:5][C:6]([H:10])=[N:7]1)[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)",InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-4H/t4-/m1/s1,56.599669999999996,29.628009999999996,
8699,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2](/[C:3]([C@:4]1([H:9])[N:5]=[C:6]1[H:10])=[N:7]\[H:11])[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c5-3(2-7)4-1-6-4/h1-2,4-5H/b5-3+/t4-/m1/s1",110.61686,63.844640000000005,
8700,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]([C:3]1=[C:4]([H:9])[N:5]([H:10])[C:6][N:7]1[H:11])[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-2,5-6H",72.49302,30.09843,
8701,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1](/[C:2](=[C:3]1/[C:4]([H:9])=[N:5][C:6]([H:10])=[N:7]1)[H:8])[H:11],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3,7H/b4-2-",27.146209999999996,16.5155,
8702,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2](/[C:3]([C-:4]([N+:5]#[C:6][H:10])[H:9])=[N:7]\[H:11])[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c1-6-2-4(5)3-7/h1-3,5H/b5-4-",73.87292,69.91386,
8703,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]([C:3](=[C:4]=[N:5][C:6](=[N:7][H:11])[H:10])[H:9])[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c5-4-6-2-1-3-7/h1,3-5H",105.69328999999999,43.976240000000004,
8704,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]#[C:5][H:14])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4](=[C:5]([H:14])[H:15])[C:6]1=[C:7])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-5-7(3,4)6-2/h1-2H,3-4H3","InChI=1S/C7H8/c1-5-6(2)7(5,3)4/h1H2,3-4H3",99.17353,42.02017,
8705,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]#[C:5][H:14])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]=[C:5]([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-5-7(3,4)6-2/h1-2H,3-4H3","InChI=1S/C7H8/c1-4-5-6-7(2)3/h1,5H,2-3H3",90.27096999999999,-8.687289999999999,
8706,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]#[C:5][H:14])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:5](=[C:4])[H:14])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-5-7(3,4)6-2/h1-2H,3-4H3","InChI=1S/C7H8/c1-5-7(3,4)6-2/h1,6H,3-4H3",64.34121,48.85646,Singlet_Carbene_Intra_Disproportionation
8707,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]#[C:5][H:14])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:4]=[C:5]([C:3]([H:11])([H:12])[H:13])[H:14])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-5-7(3,4)6-2/h1-2H,3-4H3","InChI=1S/C7H8/c1-4-6-7(3)5-2/h2,4H,1,3H3",88.22241,-8.11244,
8708,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]#[C:5][H:14])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C-:4]=[C:5]([H:14])[C:7]([H:15])=[C+:6]1)([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-5-7(3,4)6-2/h1-2H,3-4H3","InChI=1S/C7H8/c1-7(2)5-3-4-6-7/h3-4H,1-2H3",79.30702,58.80655,
8709,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]([N:4]([H:11])[H:12])/[C:5]([O:6][H:13])=[N:7]\[H:14])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)",48.91496,15.949420000000002,ketoenol
8710,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]=[N:4][H:12])([H:8])([H:9])[H:10].[C:5]([O:6][H:11])[N:7]([H:13])[H:14],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C2H4N2.CH3NO/c1-4-2-3;2-1-3/h3H,1H3;3H,2H2",66.02717,66.06942,
8711,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3](=[N:4]/[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)",53.27802,10.2753,
8712,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[O:6][C-:5]=[N+:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-3(5)7-2-4/h4H2,1H3,(H2,5,6)",86.64506999999999,48.87339,
8713,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[N+:4]([H:11])[H:12])[C:5](=[O:6])[N-:7][H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H4,4,5,6,7)",20.19289,17.15285,
8714,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([N:4]([H:11])[H:12])=[C:5]=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6(5)3(4)2-7/h4-5H2,1H3",106.74241,75.75886,
8715,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[N:2][C@:3]([N:4]([H:11])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:9])([H:8])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h2H,1,4H2,(H2,5,7)/t2-/m0/s1",83.00524,20.149079999999998,
8716,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3]([N:4]([H:11])[H:12])=[C:5]([O-:6])[N+:7]([H:9])([H:13])[H:14])([H:8])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h7H,1,4-5H2",74.23131,69.93771,
8717,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3](=[N+:4]([H:11])[H:12])[C:5](=[O:6])[N-:7][H:14])([H:8])[H:10].[H:9][H:13],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H5N3O.H2/c1-6-2(4)3(5)7;/h4H,1H2,(H2,5,7);1H",77.68751,61.698809999999995,
8718,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3]([N+:4]([H:9])([H:11])[H:12])=[C:5]([O-:6])[N:7]([H:13])[H:14])([H:8])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h7H,1,4-5H2",59.653319999999994,43.99132,
8719,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[N:2]/[C:3]([N:4]([H:11])[H:12])=[C:5](\[O:6][H:9])[N:7]([H:13])[H:14])([H:8])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h7H,1,4-5H2/b3-2-",55.184430000000006,40.68652,
8720,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[N+:2]([C:3]([N:4]([H:11])[H:12])=[C:5]([O-:6])[N:7]([H:13])[H:14])[H:9])([H:8])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h7H,1,4-5H2",75.16373,42.13812,
8721,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[N:2]/[C:3](=[N:4]/[H:11])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])[H:10].[H:9][H:12],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H5N3O.H2/c1-6-2(4)3(5)7;/h4H,1H2,(H2,5,7);1H/b4-2+;",62.934380000000004,37.10407,
8722,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])(/[C:4](=[C:5](/[O:6][H:14])[N:7]([H:15])[H:16])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h2-3,6-7H,5H2,1H3/b4-2+/t3-/m1/s1",60.95259,23.655720000000002,ketoenol
8723,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:12])[H:11])([H:8])[H:10].[C:4](=[C:5]([O:6][H:9])[N:7]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C2H5NO.C2H4O/c1-2(3)4;1-2-3/h4H,1,3H2;2-3H,1H2",66.39215,44.11953,Retroene
8724,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@@:5]([O:6][H:12])([N:7]([H:15])[H:16])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H9NO2/c1-3-2-4(5,6)7-3/h3,6H,2,5H2,1H3/t3-,4-/m1/s1",49.35082,25.53389,
8725,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C-:2](=[O+:3][H:12])[C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C3H5NO2.CH4/c4-3(6)1-2-5;/h5H,1H2,(H2,4,6);1H4",85.67449,62.27644,
8726,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:8])[H:10].[H:9][H:12],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H7NO2.H2/c5-4(7)2-1-3-6;/h3H,1-2H2,(H2,5,7);1H",104.87123000000001,22.91844,
8727,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@@:2]([O:3][H:12])([H:11])[C:4]([H:13])([H:14])[C@@:5]1([O:6][H:9])[N:7]([H:15])[H:16],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H9NO2/c5-4(7)1-3(6)2-4/h3,6-7H,1-2,5H2/t3-,4+",84.26881999999999,32.99058,
8728,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([O:6][C:5](=[C:4]([H:13])[H:14])[N:7]([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H9NO2/c1-3(5)7-4(2)6/h4,6H,1,5H2,2H3/t4-/m0/s1",86.34561,30.864620000000002,ketoenol
8729,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:12])=[C:4]([H:13])[H:14])([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:15].[H:11][H:16],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C3H6O.CHNO.H2/c1-3(2)4;2-1-3;/h4H,1H2,2H3;2H;1H",87.24951,38.68444,
8730,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:11])[N:7]([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H9NO2/c1-3(6)2-4(3,5)7/h6-7H,2,5H2,1H3/t3-,4-/m1/s1",84.54111,36.53777,
8731,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:12])([C:4]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:16],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C3H8O.CHNO/c1-3(2)4;2-1-3/h3-4H,1-2H3;2H",82.37052,13.03298,
8732,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:4]([C:2](=[O:3])[H:11])([H:13])[H:14])([H:8])([H:9])[H:10].[C:5](=[O:6])([N:7]([H:15])[H:16])[H:12],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C3H6O.CH3NO/c1-2-3-4;2-1-3/h3H,2H2,1H3;1H,(H2,2,3)",105.77107,18.31898,
8733,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H7NO2.H2/c1-3(6)2-4(5)7;/h2H2,1H3,(H2,5,7);1H",80.12862,13.57259,
8734,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4]([O+:6]=[C-:5][N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H9NO2/c1-4(6)2-7-3-5/h4,6H,2,5H2,1H3/t4-/m1/s1",107.51021999999999,54.179,
8735,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2](=[O:3])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C3H5NO2.CH4/c4-3(6)1-2-5;/h2H,1H2,(H2,4,6);1H4",82.49274,9.264439999999999,
8736,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:4]([H:13])([H:14])[C@@:5]1([O:6][O:3][H:12])[N:7]([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H9NO2/c1-3-2-4(3,5)7-6/h3,6H,2,5H2,1H3/t3-,4+/m1/s1",126.17331999999999,92.93424,
8737,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](/[C:5]([O:6][H:16])=[N:7]\[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1",44.5448,12.56103,ketoenol
8738,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[C:5]1([H:11])([H:12])[C:6]([H:13])([H:14])[O:7]1.[N:1]([C+:2]([O:3][H:15])[N-:4][H:10])([H:8])[H:9],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C2H4O.CH4N2O/c1-2-3-1;2-1(3)4/h1-2H2;2,4H,3H2",84.3579,46.2837,
8739,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[C:6](=[O:7])([H:13])[H:14].[N:1]([C@:2]([O:3][H:15])([N:4]=[C:5]([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C2H6N2O.CH2O/c1-4-2(3)5;1-2/h2,5H,1,3H2;1H2/t2-;/m0./s1",115.91798,55.76688000000001,
8740,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[C:6](=[O:7])([H:13])[H:14].[N:1]([C:2](=[O:3])[N:4]([C:5]([H:11])([H:12])[H:15])[H:10])([H:8])[H:9],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C2H6N2O.CH2O/c1-4-2(3)5;1-2/h1H3,(H3,3,4,5);1H2",73.657,19.43119,
8741,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[N:1]([C:2](=[O:3])[H:11])([H:8])[H:9].[N:4](=[C:5](\[C:6]([O:7][H:15])([H:13])[H:14])[H:12])\[H:10],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C2H5NO.CH3NO/c3-1-2-4;2-1-3/h1,3-4H,2H2;1H,(H2,2,3)/b3-1-;",101.81811,32.0071,
8742,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[N:1]([C@@:2]1([O:3][H:15])[N:4]([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])[H:9],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C3H8N2O2/c4-3(6)5-1-2-7-3/h5-6H,1-2,4H2/t3-/m0/s1",42.60308,20.794610000000002,
8743,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[C:2]1(=[O:3])[N:4]([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[O:7]1.[N:1]([H:8])([H:9])[H:15],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C3H5NO2.H3N/c5-3-4-1-2-6-3;/h1-2H2,(H,4,5);1H3",58.569230000000005,7.161919999999999,
8744,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[N:1](/[C:2]([O:3][H:10])=[N:4]\[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])[H:9],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)",43.326840000000004,20.611620000000002,ketoenol
8745,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[C:5]([C:6](=[O:7])[H:13])([H:11])([H:12])[H:14].[N:1]([C+:2]([O:3][H:15])[N-:4][H:10])([H:8])[H:9],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C2H4O.CH4N2O/c1-2-3;2-1(3)4/h2H,1H3;2,4H,3H2",65.90214,19.71361,
8746,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[N:1](=[C:2](/[O:3][H:9])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])\[H:8],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)",44.62915,17.609189999999998,ketoenol
8747,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[N:1]([C:2]([O:3][C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])=[N:4][H:10])([H:8])[H:9],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C3H8N2O2/c4-3(5)7-2-1-6/h6H,1-2H2,(H3,4,5)",74.00032,19.96242,ketoenol
8748,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[N:1]([C:2](=[O:3])[N:4]([C:5](=[C:6]([H:13])[H:14])[H:12])[H:10])([H:8])[H:9].[O:7]([H:11])[H:15],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C3H6N2O.H2O/c1-2-5-3(4)6;/h2H,1H2,(H3,4,5,6);1H2",69.39226,8.75854,"1,3_Insertion_ROR"
8749,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[N:1](=[C:2]=[O:3])[H:9].[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])[H:10],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C2H7NO.CHNO/c3-1-2-4;2-1-3/h4H,1-3H2;2H",49.66857,20.4424,
8750,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[O+:1]#[C:2][C:3]1=[C:7]([H:10])[C:6]([H:8])([H:9])[O:5][N-:4]1,InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1H,2H2",134.8849,76.45148,
8751,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[O:1]([C+:2]=[C:3]1[N-:4][O:5][C:6]([H:9])=[C:7]1[H:10])[H:8],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-2,6H",82.3129,51.82339,
8752,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[O+:1](=[C-:2][H:8])[c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,InChI=1S/C4H3NO2/c1-6-4-2-3-7-5-4/h1-3H,100.59156,69.74421,
8753,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[O:1]=[C:2]([C:3]1=[N:4][C@:7]1([C:6](=[O:5])[H:9])[H:10])[H:8],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,InChI=1S/C4H3NO2/c6-1-3-4(2-7)5-3/h1-3H/t3-/m0/s1,66.16104,22.34064,ketoenol
8754,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[O:1]=[C:2]([C:7]([C:3]#[N:4])([C:6](=[O:5])[H:9])[H:10])[H:8],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,InChI=1S/C4H3NO2/c5-1-4(2-6)3-7/h2-4H,58.89544,-14.15855,
8755,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[O:1]=[C:2]([C:3]([N:4]=[O:5])=[C:7]=[C:6]([H:9])[H:10])[H:8],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,"InChI=1S/C4H3NO2/c1-2-4(3-6)5-7/h3H,1H2",78.95021,55.977540000000005,
8756,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[O:1]=[C:2]([N:4]=[C:3]=[C:7]([C:6](=[O:5])[H:9])[H:10])[H:8],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-1-2-5-4-7/h1,3-4H",58.83458,-3.6519699999999995,
8757,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[C:6](#[C:7][H:10])[H:9].[O-:1][C:2](=[C:3]=[N+:4]=[O:5])[H:8],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,InChI=1S/C2HNO2.C2H2/c4-2-1-3-5;1-2/h2H;1-2H,95.32465,77.48149000000001,
8758,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O:1](/[C:2](=[C:3]1/[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8])[H:9],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-4,6H,1H2/b5-2+/t3-,4+/m1/s1",68.67154000000001,7.518660000000001,ketoenol
8759,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[O+:4]=[C-:5][C@:7]1([C:6]([H:10])([H:11])[H:12])[H:13])[H:8],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2/c1-4-3-7-5(4)2-6/h2,4-5H,1H3/t4-,5-/m1/s1",53.333090000000006,26.42237,
8760,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O:1](/[C:2](=[C:3](\[O:4][C:5]1([H:10])[C:6]([H:11])=[C:7]1[H:13])[H:9])[H:8])[H:12],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1",InChI=1S/C5H6O2/c6-3-4-7-5-1-2-5/h1-6H/b4-3-,55.87863,19.054289999999998,
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8771,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O:1]=[C:2]([C@@:7]1([H:13])[C:3]([H:9])=[O+:4][C-:5]([H:10])[C:6]1([H:11])[H:12])[H:8],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h2-5H,1H2/t5-/m0/s1",48.47092,23.12339,
8772,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O:1]1[C:2]([H:8])([H:9])[C@@:3]12[O:4][C@@:5]1([H:10])[C:6]([H:11])([H:12])[C@@:7]21[H:13],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2/c1-3-4(1)7-5(3)2-6-5/h3-4H,1-2H2/t3-,4+,5+/m1/s1",60.574819999999995,12.60786,
8773,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]1[C:2](=[C:3]([H:8])[H:9])[C:7]([H:15])=[C:6]([H:14])[C@:5]1([C:4]([H:10])([H:11])[H:12])[H:13],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4,6H,1H2,2H3/t6-/m1/s1",115.07037,16.857229999999998,
8774,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[H:14][H:15].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]#[C:7]1,"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H6O.H2/c7-6-4-2-1-3-5-6;/h1-2,4H2;1H",108.09483999999999,80.48383000000001,
8775,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]1[C@:3]([C:4]([H:9])([H:10])[H:11])([H:8])[C@:7]1([C:6](=[C:5]([H:12])[H:13])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-3-5-4(2)6(5)7/h3-5H,1H2,2H3/t4-,5+/m0/s1",105.56201000000001,44.212509999999995,
8776,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[C:3](=[C:4]([H:10])[H:11])([H:8])[H:9].[O:1]=[C:2]=[C:7]([C:6](=[C:5]([H:12])[H:13])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C4H4O.C2H4/c1-2-3-4-5;1-2/h2-3H,1H2;1-2H2",74.91920999999999,47.89663,
8777,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]1[C:2]2=[C:7]([H:15])[C@:6]2([H:14])[C:5]([H:12])([H:13])[C:4]([H:10])([H:11])[C:3]1([H:8])[H:9],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-2-5-4-6(5)7-3-1/h4-5H,1-3H2/t5-/m0/s1",126.00905,69.43628000000001,
8778,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:13])=[C:6]([H:14])[C:7]1([H:12])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h1-2H,3-5H2",75.88842,2.65095,
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8783,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]=[C:7]([C@:6]1([H:14])[C@@:4]([C:3]([H:8])([H:9])[H:10])([H:11])[C:5]1([H:12])[H:13])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-5-4-6(5)2-3-7/h2,5-6H,4H2,1H3/t5-,6+/m1/s1",109.03253000000001,29.699279999999998,
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8787,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]1[C@@:4]([C:3]([H:8])([H:9])[H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h2,4-5H,3H2,1H3/t5-/m1/s1",97.3852,0.1537,
8788,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]=[C:7]([C:6]([C:5]([C:4](=[C:3]([H:8])[H:9])[H:10])([H:12])[H:13])([H:11])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2,5H,1,3-4H2",83.29693,27.10355,
8789,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@:6]2([H:14])[C:5]([H:12])([H:13])[C@:7]12[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m1/s1",96.21154,9.48643,
8790,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[H:8][H:12].[O-:1][C:2]1=[C:7]([H:15])[C:6]([H:14])=[C:5]([H:13])[C:4]([H:10])([H:11])[C+:3]1[H:9],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H6O.H2/c7-6-4-2-1-3-5-6;/h1-2,4-5H,3H2;1H",82.78511,70.89246,
8791,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]1[C@@:2]23[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@:6]2([H:14])[C@@:7]13[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-2-4-5-6(4,3-1)7-5/h4-5H,1-3H2/t4-,5-,6+/m1/s1",86.839,71.17655,
8792,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]([C:2]1=[C:7]=[C:6]([H:14])[C:5]([H:12])([H:13])[C:4]([H:10])([H:11])[C:3]1([H:8])[H:9])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,7H,1,3,5H2",70.11305,52.22094,ketoenol
8793,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[H:11][H:13].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:12])[C:6]([H:14])=[C:7]1[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H6O.H2/c7-6-4-2-1-3-5-6;/h1-4H,5H2;1H",97.15001,25.3532,
8794,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]=[C:7](/[C:6](=[C:5](\[C:4]([C:3]([H:8])([H:9])[H:13])([H:10])[H:11])[H:12])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h3-5H,2H2,1H3/b4-3-",102.41724,22.98099,
8795,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6][C:7]1([H:14])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h1-2,4-5H2",76.40843000000001,73.27413,Singlet_Carbene_Intra_Disproportionation
8796,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]=[C:7]([C:6]1([H:14])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c7-5-4-6-2-1-3-6/h4,6H,1-3H2",96.00658,30.66248,
8797,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[H:9][H:11].[O:1]=[C:2]1[C:3]([H:8])=[C:4]([H:10])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H6O.H2/c7-6-4-2-1-3-5-6;/h2-5H,1H2;1H",100.83941,24.26,
8798,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2](/[C:7](=[C:6](\[C:5]([C:4](=[C:3]([H:8])[H:9])[H:10])([H:12])[H:13])[H:14])[H:15])[H:11],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2,4-6H,1,3H2/b5-4-",88.459,30.71285,
8799,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O-:1][C:2](=[C+:3][H:8])/[C:7](=[C:6](\[C:5]([C:4]([H:9])([H:10])[H:11])([H:12])[H:13])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-3-4-5-6(2)7/h2,4-5H,3H2,1H3/b5-4-",96.5431,92.85061999999999,
8800,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]([C:2]1=[C:3]([H:8])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15])[H:9],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4-5,7H,1,3H2",66.64668,12.30989,ketoenol
8801,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]([C@:2]12[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:13])[C:6]([H:14])=[C:7]2[H:15])[H:12],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c7-6-3-1-5(6)2-4-6/h1,3,5,7H,2,4H2/t5-,6-/m1/s1",111.44712,48.37215,
8802,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:7]=[C:6]([H:12])[N:5]([H:11])[C@@:3]1([O:4][H:10])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h2,4,6-7H,5H2/t4-/m1/s1",89.52842,60.605169999999994,
8803,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([O:4][H:10])[N+:5]([H:11])([H:12])[C-:6]=[C:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1,7H,5-6H2",87.3057,78.5365,
8804,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N-:1]([C:2]1=[C:3]([O:4][H:10])[N:5]([H:11])[C+:6]([H:12])[C:7]1([H:9])[H:13])[H:8],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h2,5-7H,1H2",94.51675999999999,48.165690000000005,
8805,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C-:2]=[C:7]([C+:6]([N:5]([C:3][O:4][H:10])[H:11])[H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-2-1-3-6-4-7/h1,3,6-7H,5H2",81.35166,83.84591999999999,
8806,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]1([O:4][H:10])[C:3][N:5]([H:11])[C:6]([H:12])=[C:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4(7)1-2-6-3-4/h1-2,6-7H,5H2/t4-/m0/s1",74.22278,56.51545,
8807,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]1([H:13])[C+:3]([O:4][H:10])[N:5]([H:11])[C:6]([H:12])=[C-:7]1)([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h2-3,6-7H,5H2/t3-/m1/s1",77.94504,70.63629,
8808,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:13])[C:6]([H:10])([H:12])[N:5]([H:11])[C:3]1=[O:4])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1H,2,5H2,(H,6,7)",92.30832,-14.085939999999999,
8809,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:13])[C:6]([H:11])([H:12])[N:5]=[C:3]1[O:4][H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1H,2,5H2,(H,6,7)",43.19275,4.7953,
8810,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([O:4][H:10])[N:5]([H:11])[C:6][C:7]1([H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h6-7H,1,5H2",57.9057,49.1919,Singlet_Carbene_Intra_Disproportionation
8811,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1(/[C:3]([O:4][H:10])=[N:5]/[H:11])[C:6]([H:12])=[C:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3(7)4(6)1-2-4/h1-2H,6H2,(H2,5,7)",87.55032,45.73868,
8812,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C-:7][C:6]([H:12])([H:13])[N:5]([H:11])[C+:3]1[O:4][H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h6-7H,2,5H2",63.09596,48.916059999999995,Singlet_Carbene_Intra_Disproportionation
8813,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]1([H:9])[C:2]2=[C:3]([O:4][H:10])[N:5]([H:11])[C:6]([H:8])([H:12])[C@@:7]12[H:13],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c7-4-3-2(6-3)1-5-4/h2,5-7H,1H2/t2-/m1/s1",124.83086000000002,67.37841999999999,
8814,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C-:3][N:5]([H:11])[C@:6]([O:4][H:10])([H:12])[C+:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1,4,6-7H,5H2/t4-/m0/s1",111.71153000000001,44.66479,
8815,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[H:8][H:10].[N:1](=[C:2]1/[C:3](=[O:4])[N:5]([H:11])[C:6]([H:12])=[C:7]1[H:13])\[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H4N2O.H2/c5-3-1-2-6-4(3)7;/h1-2H,(H2,5,6,7);1H",67.27506,20.8333,
8816,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C:3](=[O:4])[N:5]([H:11])[C:6]([H:12])=[C:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-3H,5H2,(H,6,7)/t3-/m1/s1",28.438159999999996,0.21534,ketoenol
8817,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2](/[C:3]([O:4][H:10])=[N:5]/[H:11])=[C:7]=[C:6]([H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c1-2-3(5)4(6)7/h1,5H2,(H2,6,7)",94.07039,29.685190000000002,
8818,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C@:2]1([H:11])[C:3]([O:4][H:10])=[N:5][C:6]([H:12])=[C:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-3H,5H2,(H,6,7)/t3-/m0/s1",46.55979,11.823739999999999,
8819,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:13])[C:6]([H:12])=[N:5][C@@:3]1([O:4][H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,4,7H,5H2/t4-/m1/s1",46.610479999999995,9.935310000000001,
8820,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1](=[C:2]1/[C@:3]([O:4][H:10])([H:9])[N:5]([H:11])[C:6]([H:12])=[C:7]1[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,4-7H/b5-3+/t4-/m1/s1",76.02756,11.3783,
8821,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([O:5][H:12])[N:6]=[N:7]1)([H:9])[H:10].[H:8][H:13],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H4N2O.H2/c1-3-2-4(7)6-5-3;/h2,7H,1H2;1H",106.1714,55.63821,
8822,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[C-:2]=[N+:7]([H:13])[N:6]=[C:4]1[O:5][H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-5-6-4(3)7/h3,5H,1H3,(H,6,7)/t3-/m0/s1",86.92721,49.91444,
8823,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3]([H:11])([H:12])[C:4]([O-:5])=[N:6][N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h5H,2H2,1H3",74.60085,26.59825,
8824,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2]([C@:3]1([H:11])[C:4]([O:5][H:12])=[N:6]1)=[N:7]\[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-2(5)3-4(7)6-3/h3,5H,1H3,(H,6,7)/b5-2+/t3-/m1/s1",90.4207,40.456579999999995,
8825,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2][N:7]([N:6]=[C:4]=[C:3]([O:5][H:12])[H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-2-5-6-3-4-7/h4-5,7H,1H3",159.20617,104.50641999999999,
8826,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:13])[C:3]([H:11])=[C:4]([O:5][H:12])[N:6]=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2-3,7H,1H3/t3-/m1/s1",49.25759,29.903029999999998,
8827,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([O:5][H:12])[N-:6][N+:7]1([H:8])[H:13])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2,7H,1,5H2",96.68212,55.64978000000001,
8828,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[c:4](=[O:5])[n:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)",49.47396,6.74259,ketoenol
8829,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]=[N:6][O:5][H:12])[H:11])=[N:7][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-4(5)2-3-6-7/h2,5,7H,1H3",110.411,65.50338,
8830,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])=[C:4]([O:5][H:12])[N:6]1[N:7]2[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-4-2-3(7)6(4)5-4/h2,5,7H,1H3/t4-,6?/m1/s1",94.95947,79.39675,
8831,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([O:5][H:12])[N:6]([H:8])[N:7]1[H:13])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2,5-7H,1H2",108.03251000000002,41.1478,
8832,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])[H:9].[C:3](=[C:4]=[N:5][H:10])([H:11])[H:12],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C3H5N.C2H3N/c1-3-2-4-3;1-2-3/h4H,1-2H2;3H,1H2",78.65723,54.69515,Retroene
8833,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]2([C:3]([H:11])([H:12])[C:4][N:5]1[H:10])[C:6]([H:13])([H:14])[N:7]2[H:15],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-2-6-3-5(1)4-7-5/h6-7H,1,3-4H2/t5-/m0/s1",101.70034,46.42142,
8834,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C:4]1=[N:5]2)([H:8])([H:9])[H:10].[C:6](=[N:7][H:15])([H:13])[H:14],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C4H5N.CH3N/c1-4-2-3(4)5-4;1-2/h2H2,1H3;2H,1H2/t4-;/m1./s1",115.37555,83.59874,
8835,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([H:13])[N:7]1[H:15])([H:8])([H:9])[H:10].[C:3](=[C:4]=[N:5][H:14])([H:11])[H:12],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C3H5N.C2H3N/c1-3-2-4-3;1-2-3/h2,4H,1H3;3H,1H2",94.64238,82.32446,Retroene
8836,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([N+:5]#[C-:4])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(3-6-2)4-7-5/h7H,3-4H2,1H3/t5-/m1/s1",60.285340000000005,24.2436,
8837,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C:4][N:5]([H:14])[C@:6]1([H:13])[N:7]2[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5-2-3-6-4(5)7-5/h4,6-7H,2H2,1H3/t4-,5-/m1/s1",100.67698,43.4194,
8838,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:6]([N:7]([C:2][C:3]([C:4]#[N:5])([H:11])[H:12])[H:15])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-2-7-5-3-4-6/h7H,2-3H2,1H3",99.76354,30.1329,
8839,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C+:2]([C:3]([C:4]#[N:5])([H:11])[H:12])[N:7]([C-:6]([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(7-2)3-4-6/h7H,2-3H2,1H3",52.51315,27.99917,
8840,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C@@:3]2([H:11])[C:4]([H:12])=[N:5]2)[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(3-7-5)4-2-6-4/h2,4,7H,3H2,1H3/t4-,5+/m1/s1",94.69802,44.66148,
8841,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N+:7]1([H:15])[C-:2]([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-7-4-5(7)2-3-6/h7H,2,4H2,1H3",117.76811000000001,58.19398,
8842,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]([C:3]([C:4]#[N:5])([H:11])[H:12])([N:7]([C:6][H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(7-2)3-4-6/h2,5,7H,3H2,1H3/t5-/m1/s1",72.96486,32.22708,
8843,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]([C:4]#[N:5])([H:11])[H:12])=[N:7]/[C:6]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(7-2)3-4-6/h3H2,1-2H3/b7-5-",63.91765,-8.88464,
8844,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3](=[C:4]=[N:5][H:12])[H:11])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h2,6-7H,4H2,1H3/t5-/m1/s1",93.78331,25.62827,
8845,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C-:6]([H:13])[N+:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h4H,2,7H2,1H3/t5-/m1/s1",65.68338,54.335980000000006,
8846,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]([C:4]1=[N:5][C:6]1([H:13])[H:14])([H:11])[H:12])=[N:7]\[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-4(6)2-5-3-7-5/h6H,2-3H2,1H3/b6-4+",92.41096,21.976570000000002,
8847,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]2([C:3]([H:11])([H:12])/[C:4]1=[N:5]\[H:10])[C:6]([H:13])([H:14])[N:7]2[H:15],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c6-4-1-5(2-4)3-7-5/h6-7H,1-3H2/b6-4-",102.90395,23.90145,
8848,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:6]([N:5]=[C:4]=[C:3]([H:11])[H:12])([H:13])[H:14])=[N:7]\[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-3-7-4-5(2)6/h6H,1,4H2,2H3/b6-5+",79.9594,12.52413,
8849,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:4]#[N:5])([H:8])([H:9])[H:10].[C:6](=[N:7][H:15])([H:13])[H:14],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C4H5N.CH3N/c1-4(2)3-5;1-2/h1H2,2H3;2H,1H2",104.33306,11.49873,
8850,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:6]([N:7]([C:4]#[N:5])[H:15])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(2)3-7-4-6/h7H,1,3H2,2H3",70.39386999999999,-1.94993,
8851,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:14])[C@:6]1([H:13])[N:7]2[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5-2-3(6)4(5)7-5/h4,6-7H,2H2,1H3/b6-3-/t4-,5+/m0/s1",103.69268000000001,25.07357,
8852,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2][N:7]([C:6]([C:3]([C:4]#[N:5])([H:11])[H:12])([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-2-7-5-3-4-6/h7H,3,5H2,1H3",110.89001,25.80109,
8853,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@:3]1([H:8])[C@@:4]2([H:9])[C@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]2[H:10],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-1-3-4-2-7-5(3)4/h3-5,7H,2H2/t3-,4+,5-/m0/s1",114.15352,0.10930999999999999,
8854,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C:3](=[N+:7]1[C-:4]([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-2-5-7-3-1-4-7/h3,5H,1,4H2",47.2942,8.14942,
8855,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1](=[C:2]1/[C@@:3]2([H:8])[C@@:4]3([H:9])[C@:5]1([H:10])[C:6]([H:12])([H:13])[N:7]23)\[H:11],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-3-2-1-7-4(2)5(3)7/h2,4-6H,1H2/b6-3+/t2-,4-,5+,7?/m1/s1",102.68127,23.815739999999998,
8856,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2]/[C:3](=[N:7]/[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-3-4-7-5-1-2-5/h4-5H,1-2H2/b7-4+",63.6628,-15.07915,
8857,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]1=[C:2]([H:11])[C@:3]1([N:7]1[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:12])[H:13])[H:8],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-2-7(3-1)5-4-6-5/h1-2,4-5H,3H2/t5-/m1/s1",93.1956,38.96474,
8858,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]1([H:11])[C:2][C@@:3]2([H:8])[C@@:4]3([H:9])[C@:5]1([H:10])[C:6]([H:12])([H:13])[N:7]23,"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-4-5-3(6-1)2-7(4)5/h3-6H,2H2/t3-,4-,5+,7?/m0/s1",94.82517,46.51314,
8859,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]1=[C:2]([H:13])[C@@:3]1([C@@:4]1([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])=[N:7]1)[H:8],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-2-6-4(1)5-3-7-5/h2-5H,1H2/t4-,5-/m1/s1",84.09092,24.46079,
8860,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2]/[C:3](=[C:4](\[N:7]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:9])[H:8],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-2-1-3-7-4-5-7/h1,3H,4-5H2/b3-1-",66.96772,-10.74423,
8861,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C@:4]([C:5][H:10])([H:9])[N:7]1[C:6]([H:11])([H:12])[H:13],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-4-5(3-6)7(4)2/h1,4-5H,2H3/t4-,5+,7?/m1/s1",86.8481,74.29462,
8862,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][N+:7]12[C-:3]([H:8])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-4-7-2-1-5(7)3-7/h3,5H,1-2H2/t5-,7?/m1/s1",88.26465,64.75919,
8863,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C@:4]([C:5]([C:6][H:12])([H:10])[H:11])([H:9])[N:7]1[H:13],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-2-4-5(3-6)7-4/h1,4-5,7H,2H2/t4-,5+/m1/s1",83.52829,73.93191,
8864,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N+:1](#[C-:2])[C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-6-5-4-2-3-7(4)5/h4-5H,2-3H2/t4-,5-,7?/m1/s1",58.84259,21.384539999999998,
8865,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C-:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N+:7]12[H:9],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h5,7H,1-2H2/t5-/m0/s1",61.31511,47.85103,
8866,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[C:5](=[C:6]([H:12])[H:13])([H:10])[H:11].[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])=[N:7]1,"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1",InChI=1S/C3H2N2.C2H4/c4-1-3-2-5-3;1-2/h2-3H;1-2H2/t3-;/m0./s1,79.31306,21.72297,
8867,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C:5]([C@:4]1([H:9])[C:3]([H:8])=[N+:7]1[C-:6]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-7-4-5(7)2-3-6/h4-5H,1-2H2/t5-/m1/s1",88.51688,36.25915,
8868,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]([C:4](=[C:5]([H:10])[H:11])[H:9])([N:7]=[C:6]([H:12])[H:13])[H:8],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-3-5(4-6)7-2/h3,5H,1-2H2/t5-/m1/s1",65.84943,-15.76418,
8869,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C-:4]([H:9])[N+:7]12[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-3-5-4-7(5)1-2-7/h4-5H,1-2H2/t5-/m0/s1",88.67489,65.2252,
8870,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1([H:8])[C:3]([H:11])=[C:4]([H:12])[C:5]([N:6]([H:13])[H:14])=[C:7]1[H:15])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4,7H,1,6H2",94.70407,86.67758,
8871,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]([H:12])/[C:5](=[N:6]\[H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-3,6H,4H2,1H3/b6-5+",73.25571,11.04513,
8872,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:11])[C:4]([H:12])=[C:5]([N:6]([H:13])[H:14])[C:7]1([H:8])[H:15])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-3H,1,4,6H2",86.29552,50.193540000000006,
8873,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]([C:4](=[C:5]1[N+:6]([H:13])([H:14])[C-:7]1[H:15])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-6-3-2-5-4-7-5/h2-4H,7H2,1H3",95.28279,90.82840999999999,
8874,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]=[C:4]([H:12])[C:5]([N:6]([H:13])[H:14])=[C:7]1[H:15])([H:9])[H:10].[H:8][H:11],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H6N2.H2/c1-7-3-2-5(6)4-7;/h2,4H,1,6H2;1H",117.12433,89.11594000000001,
8875,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N+:2]1=[C:7]([H:15])[C:5](=[N:6][H:14])[C:4]([H:12])([H:13])[C-:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h3-4,6H,2H2,1H3",85.08921,37.7199,
8876,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:7]([H:15])[C@@:5]([N:6]([H:13])[H:14])([H:8])[C:4]([H:12])=[C:3]1[H:11])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-5H,1,6H2/t5-/m1/s1",106.20263999999999,57.06514,
8877,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:7]1([H:15])[N:2]=[C:3]([H:11])[C:4]([H:12])=[C:5]1[N:6]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-4-5(6)2-3-7-4/h2-4H,6H2,1H3/t4-/m1/s1",62.61946,0.60355,
8878,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@:3]1([H:11])[N:2]=[C:7]([H:15])[C:5]([N:6]([H:13])[H:14])=[C:4]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-4H,6H2,1H3/t4-/m0/s1",57.40036,4.18313,
8879,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]=[C:5]([N+:6]([H:12])([H:13])[H:14])[C-:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H7N2/c1-7-3-2-5(6)4-7/h3-4H,6H2,1H3/q-1/p+1",81.26244,78.50724,
8880,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]=[C:5]([N:6]([H:13])[H:14])[C:7]1([H:12])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h3H,4,6H2,1H3",86.44314,54.7949,
8881,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:15])[C:3]([H:11])=[C:4]([H:12])[C:5]([N:6]([H:13])[H:14])=[C-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-3,7H,6H2,1H3",83.10946,75.21585999999999,
8882,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:7](/[C:5](=[C:4]=[C:3]([H:11])[H:12])[N:6]([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-3-5(6)4-7-2/h4H,1,6H2,2H3/b7-4+",69.04992,41.90867,
8883,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C-:4][C@@:5]([N:6]([H:13])[H:14])([H:12])[C+:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h3-5H,6H2,1H3/t5-/m0/s1",80.23161,79.57859,
8884,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C@@:4]1([H:12])[C:5]([N:6]([H:13])[H:14])=[C:7]1[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-4-2-5(4)6/h2-4H,6H2,1H3/b7-3+/t4-/m0/s1",95.33797,55.61575,
8885,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:11])[C-:3]=[C:4]([H:12])[C:5]([N:6]([H:13])[H:14])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2,4,7H,6H2,1H3",81.67259,69.46691,
8886,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:7]=[C:5]([N:6]([H:13])[H:14])[C:4]([H:12])=[C:3]1[H:11])([H:9])[H:10].[H:8][H:15],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H6N2.H2/c1-7-3-2-5(6)4-7;/h2-3H,1,6H2;1H",116.13557,96.27842,
8887,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])[C-:4]=[C:5]([N:6]([H:13])[H:14])[C+:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h4H,3,6H2,1H3",68.82208,63.49188,Singlet_Carbene_Intra_Disproportionation
8888,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:7]([H:15])[C:5]([N:6]([H:13])[H:14])=[C:4]([H:12])[C:3]1([H:8])[H:11])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2,4H,1,3,6H2",92.51524,44.920120000000004,
8889,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O+:1]1=[C-:2][C:6]2([H:12])[C:5]([H:10])([H:11])[N:4]([C:3]1([H:8])[H:9])[C:7]2([H:13])[H:14],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c1-5-2-6(1)4-7-3-5/h5H,1-2,4H2",74.32459,54.34706,
8890,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[H:10][H:12].[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:11])=[C:6]1[C:7]2([H:13])[H:14],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H5NO.H2/c7-5-3-6-1-4(5)2-6;/h1H,2-3H2;1H",140.12548999999999,113.17916000000001,
8891,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O:1]([C:2]1=[C:6]2[C:5]([H:10])([H:11])[N:4]([C:3]1([H:8])[H:9])[C:7]2([H:13])[H:14])[H:12],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h7H,1-3H2",84.90366999999999,72.53054,ketoenol
8892,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O:1]=[C:2]1[C:3]([H:8])([H:9])[N+:4]2([H:14])[C:5]([H:10])([H:11])[C@:6]1([H:12])[C-:7]2[H:13],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h1,4,6H,2-3H2/t4-/m0/s1",81.87983,56.113769999999995,
8893,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O-:1][C:2]1=[C:6]2[N+:4]([C:5]([H:10])([H:11])[H:12])([C:3]1([H:8])[H:9])[C:7]2([H:13])[H:14],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c1-6-2-4(6)5(7)3-6/h2-3H2,1H3",82.65841999999999,50.1344,
8894,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O:1]([C@@:2]12[C:3]([H:8])([H:9])[N:4]3[C@:5]1([H:11])[C@:6]2([H:12])[C:7]3([H:13])[H:14])[H:10],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c7-5-2-6-1-3(5)4(5)6/h3-4,7H,1-2H2/t3-,4+,5+/m0/s1",99.60143000000001,37.91806,
8895,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O-:1][C:2]1=[C:3]([H:8])[N+:4]2([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h3-4,7H,1-2H2",75.82934,39.99266,
8896,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O-:1][C:2]1=[C:6]([H:12])[C:7]([H:13])([H:14])[N+:4](=[C:5]([H:10])[H:11])[C:3]1([H:8])[H:9],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c1-6-3-2-5(7)4-6/h2H,1,3-4H2",41.09323,20.6536,
8897,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[H:8][H:10].[O:1]=[C:2]1[C:3]([H:9])=[N:4][C@@:5]2([H:11])[C@:6]1([H:12])[C:7]2([H:13])[H:14],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H5NO.H2/c7-5-2-6-4-1-3(4)5;/h2-4H,1H2;1H/t3-,4+;/m0./s1",101.03650999999999,5.0039,
8898,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O:1]([C:2]1=[C:3]([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h3-4,7H,1-2H2",84.46309000000001,27.34422,ketoenol
8899,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]([H:12])=[C:7]1[H:13])([H:8])[H:9])[H:14],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c7-5-4-6-2-1-3-6/h1-2,5H,3-4H2",86.10027,13.517079999999998,
8900,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@:3]1([H:11])[N:2]=[C:6]([N:7]([H:14])[H:15])[C:5]([H:13])=[C:4]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-3-5(6)7-4/h2-4H,1H3,(H2,6,7)/t4-/m0/s1",61.441590000000005,-1.68195,
8901,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[N:2]2[C@@:3]1([H:11])[C:4]([H:12])=[C:5]([H:13])[C@:6]2([N:7]([H:14])[H:15])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c6-5-2-1-4-3-7(4)5/h1-2,4-5H,3,6H2/t4-,5-,7?/m0/s1",107.52263,36.76828,
8902,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:11])[C-:3]=[C:4]([H:12])[C:5]([H:13])=[C:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-3,7H,6H2,1H3",86.65250999999999,78.29548,
8903,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:6](/[C:5](=[C:4]=[C:3]([H:11])[H:12])[H:13])[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-3-4-5(6)7-2/h4H,1H2,2H3,(H2,6,7)",96.59914,34.05873,
8904,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])[C-:4]=[C:5]([H:13])[C+:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h3H,4,6H2,1H3",66.58612,53.31373000000001,Singlet_Carbene_Intra_Disproportionation
8905,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])/[C:6]1=[N:7]\[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2,4,6H,3H2,1H3/b6-5+",78.57149,6.22544,
8906,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:11])[C:4]([H:10])([H:12])[C:5]([H:13])=[C:6]1[N:7]([H:14])[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h3-4H,1-2,6H2",104.61025,52.67182,
8907,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:6]([N:7]([H:14])[H:15])[C:5]([H:13])=[C:4]([H:12])[C:3]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-3H,1,4,6H2",83.89792,49.738009999999996,
8908,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C+:3]([H:11])[C:4]([H:12])([H:13])[C-:5]=[C:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h4H,2,6H2,1H3",77.6706,74.18615,
8909,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])=[C:5]([H:13])[C@:6]12[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(4,7)6/h2-4H,6H2,1H3/t4-,5+,7?/m1/s1",93.37451,75.97633,Intra_2+2_cycloaddition_Cd
8910,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C+:3]([H:11])[C:4]([H:12])=[C-:5][C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2,4-5H,6H2,1H3/t5-/m0/s1",71.1666,68.38014,Singlet_Carbene_Intra_Disproportionation
8911,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:15])[C-:3]([H:11])[C:4]([H:12])=[C:5]([H:13])[C:6]1=[N:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4,6-7H,1H3",75.18433,47.17881,
8912,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C-:4][C:5]([H:12])([H:13])[C+:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h4H,3,6H2,1H3",77.88672,66.39089,
8913,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:11])[C:4]([H:12])=[C:5]([H:13])[C@:6]1([N:7]([H:14])[H:15])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-5H,1,6H2/t5-/m0/s1",103.15875,51.93088,
8914,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C-:3]([H:11])[C:4]([H:12])=[C:5]=[C:6]1[N+:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H7N2/c1-7-4-2-3-5(7)6/h2,4H,6H2,1H3/q-1/p+1",89.83455,87.65968000000001,
8915,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:15])[C:4]([H:12])=[C:5]([H:13])/[C:6]1=[N:7]\[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-3,6H,4H2,1H3/b6-5+",96.54621,6.68605,
8916,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]([C:4](=[C:5]([C:6](=[N:7]\[H:15])\[H:14])/[H:13])/[H:12])\[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-5-3-2-4-6/h2-6H,1H3/b3-2-,6-4+,7-5+",70.2053,28.966140000000003,
8917,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:6]([N:7]([H:14])[H:15])[C:5]([H:10])([H:13])[C:4]([H:12])=[C:3]1[H:11])([H:8])[H:9],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2,4H,1,3,6H2",101.26971,54.09375,
8918,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]([C:4](=[C:5](/[C:6][N:7]([H:14])[H:15])[H:13])\[H:12])/[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-5-3-2-4-6/h2-3,5H,6H2,1H3/b3-2-,7-5-",80.83665,68.39666,
8919,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@:6]1([N:7]([H:14])[H:15])[N:2]=[C:3]([H:11])[C:4]([H:12])=[C:5]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-5(6)3-2-4-7-5/h2-4H,6H2,1H3/t5-/m0/s1",61.60464,11.01074,
8920,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N+:7]([c-:6]1[n:2][c:3]([H:11])[c:4]([H:12])[c:5]1[H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-6-5-3-2-4-7-5/h2-4H,6H2,1H3",89.94901999999999,37.041129999999995,
8921,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]=[C:4]([H:12])[C:5]([H:13])=[C:6]1[N:7]([H:14])[H:15])([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H6N2.H2/c1-7-4-2-3-5(7)6;/h2-3H,1,6H2;1H",121.55746,100.69729,
8922,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([O:5][H:14])=[C:6]([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:13])[H:17],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2.H2O/c1-4(5)3-6-2;/h5H,1,3H2,2H3;1H2",73.14258000000001,8.13269,"1,3_Insertion_ROR"
8923,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O3.H2/c1-7-3-4(6)2-5;/h2,4,6H,3H2,1H3;1H/t4-;/m0./s1",90.58039000000001,20.99367,
8924,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:14])([H:8])([H:9])[H:10].[C:3]1([H:11])([H:12])[C@@:4]([C:6]([O:7][H:17])([H:15])[H:16])([H:13])[O:5]1,"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H6O2.CH4O/c4-1-3-2-5-3;1-2/h3-4H,1-2H2;2H,1H3/t3-;/m0./s1",73.2405,27.85148,
8925,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:4]1([H:13])[O:5][C:6]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:14])[H:17],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2.H2O/c1-5-2-4-3-6-4;/h4H,2-3H2,1H3;1H2/t4-;/m1./s1",78.12602,26.17259,
8926,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10].[C:3]([H:11])[H:12],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H8O3.CH2/c1-6-3(5)2-4;/h3-5H,2H2,1H3;1H2/t3-;/m1./s1",117.30548,108.32701999999999,
8927,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:15])[H:16].[H:14][H:17],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H6O2.CH2O.H2/c1-5-3-2-4;1-2;/h2H,3H2,1H3;1H2;1H",96.7835,41.0488,
8928,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4](=[O:5])[C:6]([O:7][H:17])([H:15])[H:16])([H:12])[H:13])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O3.H2/c1-7-3-4(6)2-5;/h5H,2-3H2,1H3;1H",88.61919,19.695220000000003,
8929,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]1([H:12])[C@:4]([O:5][H:14])([H:13])[C@:6]1([O:7][H:17])[H:15])([H:8])([H:9])[H:10].[H:11][H:16],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O3.H2/c1-7-4-2(5)3(4)6;/h2-6H,1H3;1H/t2-,3+,4+;",105.67603000000001,40.58828,
8930,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][H:12])([H:8])([H:9])[H:10].[C:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])([H:11])[H:13],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C2H6O2.C2H4O/c3-1-2-4;1-3-2/h3-4H,1-2H2;1H,2H3",82.0294,70.65462,
8931,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N+:4]([C-:5]([H:15])[H:16])([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4,6H,2-3H2,1H3/t4-/m0/s1",94.37086,80.13748000000001,
8932,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([N:4]=[C:5]([H:15])[H:16])([H:12])[H:13])([C:6](=[O:7])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-5(4-7)3-6-2/h4-5H,2-3H2,1H3/t5-/m0/s1",105.17239,18.28161,
8933,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2](/[C:3](=[N:4]/[C:5]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C4H9N.CO/c1-3-4-5-2;1-2/h4H,3H2,1-2H3;/b5-4+;",94.20822,11.66522,
8934,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([N:4]([C:5]([H:14])([H:15])[H:16])[C:6](=[O:7])[H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-3-4-6(2)5-7/h5H,4H2,1-2H3",90.27789,76.18216,
8935,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([N:4]([C:3]([C:2](=[C:6]=[O:7])[H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-6(2)4-3-5-7/h3H,4H2,1-2H3",112.79959,27.291,
8936,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C+:2]=[C:6]([N:4]([C:3]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[H:16])[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1",InChI=1S/C5H9NO/c1-4-5(7)6(2)3/h1-3H3,76.23362,69.65411,
8937,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([O:7][H:11])[N:4]([C:5]([H:14])([H:15])[H:16])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h7H,3H2,1-2H3",87.51482,33.6833,ketoenol
8938,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]=[O:7])[H:11])([H:8])([H:9])[H:10].[C:3](=[N:4][C:5]([H:14])([H:15])[H:16])([H:12])[H:13],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C3H4O.C2H5N/c1-2-3-4;1-3-2/h2H,1H3;1H2,2H3",57.109359999999995,36.83591,
8939,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:7][C:6]1=[C:2]([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-6-4-3-5(6)7-2/h3H,4H2,1-2H3",116.96847,45.4768,ketoenol
8940,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]=[C:6]1[O:7][C:5]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-3-6-5(4)7-2/h4H,3H2,1-2H3/t4-/m0/s1",85.98801,23.49918,ketoenol
8941,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([O-:7])[N+:4](=[C:5]([H:15])[H:16])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO.H2/c1-4-3-6(2)5(4)7;/h2-3H2,1H3;1H",86.92241999999999,62.83923000000001,
8942,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]([H:12])[N+:4]([C:5]([H:14])([H:15])[H:16])=[C:6]1[O:7][H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h3-4,7H,1-2H3/t4-/m0/s1",110.72327,73.89690999999999,
8943,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]([N+:4](=[C:3]([H:12])[H:13])[C:5]([H:14])([H:15])[H:16])[O-:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-5(7)6(2)3/h4H,2H2,1,3H3",57.09659,44.18371,
8944,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:6]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([H:14])([H:15])[H:16])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m1/s1",113.0311,30.526529999999998,
8945,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]=[C:2]1[O:6][C:5]([H:10])([H:11])[C:4](=[C:3]([H:8])[H:9])[C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,InChI=1S/C5H6O2/c1-4-2-5(6)7-3-4/h1-3H2,68.58326,-38.256820000000005,
8946,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[C:5](=[O:6])([H:10])[H:11].[O:1]=[C:2]1[C:3]([H:9])=[C:4]([H:8])[C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,"InChI=1S/C4H4O.CH2O/c5-4-2-1-3-4;1-2/h1-2H,3H2;1H2",86.07106999999999,11.337819999999999,
8947,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]=[C:2]([C:7]([C@@:4]1([C:3][H:8])[C:5]([H:10])([H:11])[O:6]1)([H:12])[H:13])[H:9],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,"InChI=1S/C5H6O2/c1-5(2-3-6)4-7-5/h1,3H,2,4H2/t5-/m0/s1",83.26714,77.50917,
8948,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[C:5](=[O:6])([H:10])[H:11].[O:1]1[C@:2]23[C:3]([H:8])([H:9])[C@:4]12[C:7]3([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,"InChI=1S/C4H4O.CH2O/c1-3-2-4(1,3)5-3;1-2/h1-2H2;1H2/t3-,4+;",90.69518000000001,77.79675,
8949,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[C:3](=[C:4]1[C:5]([H:10])([H:11])[O:6]1)([H:8])[H:9].[O:1]=[C:2]=[C:7]([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,InChI=1S/C3H4O.C2H2O/c1-3-2-4-3;1-2-3/h1-2H2;1H2,56.78259,26.406859999999998,
8950,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([O+:6]=[C-:5][H:10])([H:11])[C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,"InChI=1S/C5H6O2/c1-7-5-2-4(6)3-5/h1,5H,2-3H2",79.50683000000001,47.69083,
8951,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]([C:2]1=[C:7]([H:12])[C@@:4]2([C:3]1([H:8])[H:9])[C:5]([H:10])([H:11])[O:6]2)[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,"InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1,6H,2-3H2/t5-/m1/s1",78.43905,13.45604,ketoenol
8952,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:5]([H:10])([H:11])[O+:6]=[C-:4][C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,InChI=1S/C5H6O2/c6-5-1-3-7-4-2-5/h1-3H2,93.73849,21.59306,
8953,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]=[C:2]1[C:3]([H:8])=[C:4]([C:5]([O:6][H:9])([H:10])[H:11])[C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,"InChI=1S/C5H6O2/c6-3-4-1-5(7)2-4/h1,6H,2-3H2",58.84655,-7.64663,
8954,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([O:6][C:5]([H:10])([H:11])[H:13])=[C:7]1[H:12],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,"InChI=1S/C5H6O2/c1-7-5-2-4(6)3-5/h2H,3H2,1H3",83.18181,-6.92393,
8955,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:5][H:11])([O:6][H:10])[C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,"InChI=1S/C5H6O2/c1-5(7)2-4(6)3-5/h1,7H,2-3H2",72.0911,67.67008,
8956,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4](=[O+:6][C-:5]([H:10])[H:11])[C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,InChI=1S/C5H6O2/c1-7-5-2-4(6)3-5/h1-3H2,70.07455999999999,53.170730000000006,
8957,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])/[C:5]1=[C:6](/[O:7][H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:17],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9NO.H2/c1-2-6-3-5(6)4-7;/h4,7H,2-3H2,1H3;1H/b5-4-;",102.6052,37.377790000000005,
8958,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:3]1=[C:4]([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])[H:12])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9NO.H2/c1-2-6-3-5(6)4-7;/h2-3,5,7H,4H2,1H3;1H/t5-;/m0./s1",85.45081,72.97498,
8959,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:4](/[N:3]=[C:5](/[C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-2-3-6-4-5-7/h4,7H,2-3,5H2,1H3/b6-4+",90.88443000000001,-16.73102,
8960,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2]([N+:3]1=[C:4]([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12].[C:1]([H:8])([H:9])([H:10])[H:13],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C4H7NO.CH4/c1-5-2-4(5)3-6;/h2,4,6H,1,3H2;1H4/t4-;/m0./s1",96.06591999999999,62.57326,
8961,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[H:9][H:13].[N:3]1=[C:4]([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C3H5NO.C2H4.H2/c5-2-3-1-4-3;1-2;/h1,3,5H,2H2;1-2H2;1H/t3-;;/m0../s1",92.65101,57.67595,
8962,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N+:3]([C-:4]([H:13])[H:14])=[C:5]([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-3-6(2)4-5-7/h4,7H,2-3,5H2,1H3",50.69678,26.75147,
8963,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6](=[O:7])[H:16])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[H:17][H:18],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9NO.H2/c1-2-6-3-5(6)4-7;/h4-5H,2-3H2,1H3;1H/t5-,6?;/m0./s1",89.85741999999999,21.6278,
8964,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:5]([N:3]1[C:2]([H:11])([H:12])[C:4]1([H:13])[H:14])([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-5(4-7)6-2-3-6/h5,7H,2-4H2,1H3/t5-/m1/s1",128.59953000000002,1.39669,
8965,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2]([N+:3]1=[C:5]([C:6]([O:7][H:18])([H:16])[H:17])[C:4]1([H:13])[H:14])([H:11])[H:12].[C:1]([H:8])([H:9])([H:10])[H:15],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C4H7NO.CH4/c1-5-2-4(5)3-6;/h6H,1-3H2;1H4",94.95834,61.65628,
8966,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C:5]1=[C:6]([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:15])[H:18],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9N.H2O/c1-3-6-4-5(6)2;/h2-4H2,1H3;1H2",79.21526999999999,18.94364,"1,3_Insertion_ROR"
8967,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C@@:2]1([C:7](=[N+:6]=[C-:5][H:11])[H:12])[C:3]([H:10])=[N:4]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c1-6-2-4(5)3-7-4/h1-3H,5H2/t4-/m1/s1",114.80083,100.77461,
8968,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C@:2]12[C@:3]3([H:10])[N:4]=[C:5]([H:11])[N:6]1[C@:7]23[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-2-3(4)7(4)1-6-2/h1-3H,5H2/t2-,3+,4-,7?/m1/s1",78.30796,75.64835,
8969,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C:2]1([H:11])[C:3]([H:10])=[N+:4]=[C-:5][N:6]=[C:7]1[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-2,4H,5H2",100.49475,84.70611,
8970,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[C:3](#[N:4])[H:10].[C:5](#[N:6])[H:11].[N:1]([C:2]#[C:7][H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C2H3N.2CHN/c1-2-3;2*1-2/h1H,3H2;2*1H",132.16188,75.16887,
8971,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[H:8][H:12].[N-:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n+:6]#[c:7]1)[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H3N3.H2/c5-4-1-6-3-7-2-4;/h1,3,5H;1H",101.03443,98.26621,
8972,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N+:1]1([H:8])([H:9])[C@:2]2([C-:3]1[H:10])[N:4]=[C:5]([H:11])[N:6]=[C:7]2[H:12],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c1-4(2-6-4)7-3-5-1/h1-3H,6H2/t4-/m0/s1",115.79466000000001,95.98125999999999,
8973,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C:2]12[C:3]([H:10])=[N:4][C:5]1([H:11])[N:6]=[C:7]2[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-1-6-3(4)7-2-4/h1-3H,5H2",176.21871000000002,163.72737,
8974,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1](=[C:2]1/[C:3]([H:9])([H:10])[N:4]=[C:5]([H:11])[N:6]=[C:7]1[H:12])\[H:8],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1,3,5H,2H2/b5-4+",83.30298,30.547259999999998,
8975,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n+:6]([H:12])[c-:7]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1,3,7H,5H2",81.87234000000001,38.751709999999996,
8976,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:12])[N:6]([H:11])[C-:5]=[N+:4]=[C:3]1[H:10])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-2,6H,5H2",89.82007,52.1679,
8977,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([c:2]1[c:3]([H:10])[c:7]([H:12])[n:6][c:5]([H:11])[n:4]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-1-2-6-3-7-4/h1-3H,(H2,5,6,7)",109.11815,-10.77925,
8978,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N+:1]1([H:8])([H:9])[C-:2]2[C:3]([H:10])=[N:4][C:5]1([H:11])[N:6]=[C:7]2[H:12],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c1-3-2-6-4(5-1)7-3/h1-2,4H,7H2",114.9259,97.88880999999999,
8979,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([N:4]1[C:3]([H:10])=[C:2]=[C:7]([H:12])[N:6]=[C:5]1[H:11])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-7-3-1-2-6-4-7/h2-4H,5H2",173.68099999999998,86.42730999999999,
8980,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C:2]/[C:7](=[N:6]\[C-:5]([N+:4]#[C:3][H:10])[H:11])[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c1-6-4-7-3-2-5/h1,3-4H,5H2/b7-3-",115.89208,115.30081000000001,
8981,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C:2][C@@:3]1([H:10])[N:4]=[C:5]([H:11])[N:6]=[C:7]1[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h2-4H,5H2/t4-/m1/s1",79.18529000000001,59.80923000000001,
8982,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:12])[N:6]=[C:5]=[N:4][C:3]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1H,2,5H2",120.22938,63.671569999999996,
8983,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[C:2]1=[C:3]=[N:4][C:5]([H:11])=[N:6][C:7]=1[H:12].[N:1]([H:8])([H:9])[H:10],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H2N2.H3N/c1-2-5-4-6-3-1;/h2,4H;1H3",87.14811,84.77971,"1,3_NH3_elimination"
8984,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1](=[C:2]1[C:3]([H:10])=[N:4][C:5]([H:9])([H:11])[N:6]=[C:7]1[H:12])[H:8],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-2,5H,3H2",102.56735,29.16392,
8985,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C-:2]=[C:3]([N+:4]#[C:5][H:11])[H:10])([H:8])[H:9].[N:6]#[C:7][H:12],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C3H4N2.CHN/c1-5-3-2-4;1-2/h1,3H,4H2;1H",117.04811000000001,109.06061000000001,
8986,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C:2](/[C:3](=[N:4]\[H:11])[H:10])=[C:7](/[N+:6]#[C-:5])[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c1-7-3-4(6)2-5/h2-3,5H,6H2/b4-3+,5-2-",98.80505,47.45361,
8987,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:12])[N:6]([H:10])[C:5]([H:11])=[N+:4]=[C-:3]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1,3,6H,5H2",121.79925,62.37307,
8988,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([H:10])[H:11])([O+:4]=[C-:3][N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])([H:8])[H:9],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c4-1-6-3-7-2-5/h1H,2,5H2,(H2,4,6)",94.61905,58.77746,
8989,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]12[O:4][C:6]([H:13])([N:5]1[H:12])[N:7]2[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-4-3-5-2(6-3)7-3/h2,4-6H,1H3",98.55814000000001,93.13776999999999,
8990,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]=[O:4])([H:8])([H:9])[H:10].[N-:5]([C+:6]([N:7]([H:11])[H:14])[H:13])[H:12],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C2H3NO.CH4N2/c1-3-2-4;2-1-3/h1H3;1-2H,3H2",52.81069,22.35566,Retroene
8991,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][H:11])([H:8])[H:9].[C:3](=[O:4])([N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C2H4N2O.CH3N/c3-1-4-2-5;1-2/h1-2H,(H2,3,4,5);2H,1H2",107.26997,32.91703,
8992,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[n:2]1[c:3]([O-:4])[n+:5]([H:12])[c:6]([H:13])[n:7]1[H:14],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C2H3N3O.CH4/c6-2-3-1-4-5-2;/h1H,(H2,3,4,5,6);1H4",98.89631999999999,31.457009999999997,
8993,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([H:11])[H:14])([H:8])([H:9])[H:10].[C:3](=[O:4])=[N:5][H:12].[C:6](#[N:7])[H:13],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/CHNO.CH5N.CHN/c2-1-3;2*1-2/h2H;2H2,1H3;1H",65.55241,32.05202,
8994,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[O:4])[N:5]([C-:6]=[N+:7]([H:13])[H:14])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h4H2,1H3,(H2,5,6,7)",79.12148,31.12599,
8995,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3]([O:4][H:14])=[N:5]\[H:12])[H:11])([H:8])([H:9])[H:10].[C:6](#[N:7])[H:13],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C2H6N2O.CHN/c1-4-2(3)5;1-2/h1H3,(H3,3,4,5);1H",42.09238,26.775029999999997,Retroene
8996,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:6](=[N:7]/[H:14])[H:13])[H:11])([H:8])([H:9])[H:10].[C:3](=[O:4])=[N:5][H:12],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C2H6N2.CHNO/c1-4-2-3;2-1-3/h2H,1H3,(H2,3,4);2H",60.56686,17.66164,
8997,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3]([N:5]([C:6](=[O:4])[H:13])[H:12])=[N:7]\[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-5-3(4)6-2-7/h2H,1H3,(H3,4,5,6,7)",98.60029,15.16274,
8998,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[O:4][H:11])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)",44.34523,15.29369,ketoenol
8999,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([O:4]/[C:3](=[N:2]/[H:11])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-7-3(5)6-2-4/h2H,1H3,(H3,4,5,6)",78.03593000000001,19.70107,ketoenol
9000,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C@@:3]12[O:4][N:7]([H:14])[C@:6]1([H:13])[N:5]2[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-4-3-2(5-3)6-7-3/h2,4-6H,1H3/t2-,3-/m0/s1",125.00641,105.92282,
9001,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]([C:3](=[O:4])[N-:5][C:6](=[N:7][H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)",48.889340000000004,35.37232,
9002,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([N:7]([C@@:6]1([H:13])[O+:4]=[C-:3][N:5]1[H:12])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-4-6-3-5-2-7-3/h3-6H,1H3/t3-/m0/s1",141.6296,98.34124,
9003,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3]([O:4]/[C:6](=[N:7]/[H:14])[H:13])=[N:5]\[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-6-3(5)7-2-4/h2,4H,1H3,(H2,5,6)/b4-2+",60.7278,28.24602,ketoenol
9004,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C-:1]([N+:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1,5H2,(H2,4,6,7)",94.59642,77.05856,
9005,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N-:1]=[C:2]=[C:4]([N:5]([N-:6][N+:7]#[C+:3])[H:9])[H:8],"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)","InChI=1S/C3H2N4/c1-5-7-6-3-2-4/h3,6H",117.7226,79.60287,
9006,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N:1]#[C:2][N+:7]1=[C:3]=[C:4]([H:8])[N:5]([H:9])[N-:6]1,"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)","InChI=1S/C3H2N4/c4-3-7-2-1-5-6-7/h1,5H",102.70299999999999,60.32675,
9007,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N:1]#[C:2][C:3](=[C:4]=[N:5][H:9])[H:8].[N:6]#[N:7],"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)","InChI=1S/C3H2N2.N2/c4-2-1-3-5;1-2/h1,4H;",50.16707,-22.72804,
9008,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N:1]#[C:2][C:3]1=[N:7][N:6]=[N:5][C:4]1([H:8])[H:9],"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)",InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H2,56.11606,28.276759999999996,
9009,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5][n:6]([H:9])[n:7]1,"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)","InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)",49.98775,-4.3912,
9010,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N+:1](#[C-:2])[c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)","InChI=1S/C3H2N4/c1-4-3-2-5-7-6-3/h2H,(H,5,6,7)",58.49722,22.57929,
9011,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N:1]#[C:2][C-:3](/[C:4](=[N:5]/[H:9])[H:8])[N+:7]#[N:6],"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)","InChI=1S/C3H2N4/c4-1-3(2-5)7-6/h1,4H/b4-1+",29.673790000000004,16.77313,
9012,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:6](=[C:5]([H:12])[H:13])[H:14])[O:3][C:4]([H:11])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-3-6(2)4-5-7-6/h3-5H,1H2,2H3/t6-/m1/s1",56.79581999999999,-14.2125,
9013,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[O+:3]=[C-:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C:7]2([H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-6-4-5(6)2-3-7-6/h5H,2,4H2,1H3/t5-,6+/m1/s1",67.30569,6.19651,
9014,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:14])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-4-5-2-3-6(5)7-4/h4-6H,3H2,1H3/t4-,5-,6-/m0/s1",59.9366,56.51899,
9015,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]=[O+:3][C@@:4]1([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-2-7-6-4-3-5-6/h3-4,6H,5H2,1H3/t6-/m1/s1",55.90144,28.414140000000003,
9016,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C@:6]2([H:14])[C:5]([H:12])([H:13])[C:4][C@:7]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-6(7)4-2-3-5(4)6/h4-5,7H,2H2,1H3/t4-,5+,6-/m1/s1",68.74826999999999,35.45636,
9017,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[O:3][C@@:4]([H:11])([C:5]([H:12])([H:13])[C:6]1)[C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-6-3-2-5(4-6)7-6/h5H,2,4H2,1H3/t5-,6+/m0/s1",58.95454,43.4246,
9018,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[O:3][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]2([C:4][H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-4-5-3-7-6(4,5)2/h1,4-5H,3H2,2H3/t4-,5+,6-/m0/s1",109.94016,62.74641999999999,
9019,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[O:3][C@@:4]([H:11])([C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-6-3-2-5(4-6)7-6/h5H,2-3H2,1H3/t5-,6+/m0/s1",54.568369999999994,30.6943,
9020,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C@:6]1([H:14])[C:5]([H:12])([H:13])[C:4]([H:11])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-5(7)6-3-2-4-6/h2-3,6H,4H2,1H3/t6-/m0/s1",34.92863,-33.653420000000004,
9021,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C:6][C@@:7]12[H:15])([H:8])[H:10].[H:9][H:14],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H6O.H2/c1-4-5-2-3-6(5)7-4;/h5-6H,1,3H2;1H/t5-,6-;/m0./s1",118.58391999999999,83.34723000000001,
9022,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:7]1([H:15])[C@@:4]2([H:11])[O+:3]=[C-:2][C@:6]1([H:14])[C:5]2([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-4-5-2-6(4)7-3-5/h4-6H,2H2,1H3/t4-,5+,6+/m1/s1",86.99126,17.92261,
9023,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@:6]1([H:14])[C:5]([H:12])([H:13])[C@:4]2([H:11])[O+:3]=[C-:2][C@@:7]21[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-4-2-6-5(4)3-7-6/h4-6H,2H2,1H3/t4-,5-,6+/m1/s1",83.49958000000001,27.950409999999998,
9024,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[C@:6]1([C:5]([C:4](=[O:3])[H:11])([H:12])[H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-5-4-6(5)2-3-7/h3-4,6H,2H2,1H3/t6-/m1/s1",42.775659999999995,-9.21066,
9025,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2][C@:6]1([H:14])[C:5]([H:12])([H:13])[C@:4]2([H:11])[O:3][C@@:7]21[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-2-4-3-5-6(4)7-5/h4-6H,3H2,1H3/t4-,5+,6-/m1/s1",93.14203,60.92208,
9026,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]12[O:3][C@@:4]1([H:11])[C:5]([H:12])([H:13])[C@@:6]2([C:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-4-3-5-6(4,2)7-5/h1,4-5H,3H2,2H3/t4-,5-,6+/m0/s1",88.67071,66.09836,
9027,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[C@@:6]2([H:14])[C@@:4]([H:11])([O:3]1)[C:5]2([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-4-2-5-3-6(5)7-4/h2,5-6H,3H2,1H3/t5-,6+/m1/s1",50.631640000000004,-34.91305,
9028,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:17])[C:5]([H:15])=[C:6]([H:16])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h3,5-6H,2,4H2,1H3/t6-/m0/s1",78.09175,-4.7548900000000005,
9029,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]=[C:6]([H:17])[O:7]1)([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O.H2/c1-6-4-2-3-5-7-6;/h2,5-6H,4H2,1H3;1H/t6-;/m0./s1",100.32760999999999,70.18169,
9030,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4](#[C:5][H:15])[H:14].[C:6](=[O:7])([H:16])[H:17],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C3H6.C2H2.CH2O/c1-3-2;2*1-2/h3H,1H2,2H3;1-2H;1H2",112.60677,66.80521,
9031,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:5]([C:4](=[C:3]([H:12])[H:13])[H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-3-6-4-7-5(6)2/h3,5-6H,1,4H2,2H3/t5-,6-/m0/s1",97.0116,21.96095,
9032,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5][C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h6H,2,4-5H2,1H3/t6-/m0/s1",67.69181,68.08323,Singlet_Carbene_Intra_Disproportionation
9033,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[O:7])[H:11])([H:8])([H:9])[H:10].[C:3](=[C:4]([C:5](=[C:6]([H:16])[H:17])[H:15])[H:14])([H:12])[H:13],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C4H6.C2H4O/c1-3-4-2;1-2-3/h3-4H,1-2H2;2H,1H3",52.55333,23.23929,Diels_alder_addition
9034,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:4]2([H:14])[C:3]([H:12])([H:13])[C@@:5]2([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1",109.30138999999998,6.9755,
9035,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2][H:11])([H:8])([H:9])[H:10].[C:3]1([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1,"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C4H6O.C2H4/c1-2-4-5-3-1;1-2/h1-2H,3-4H2;1H,2H3",126.20016000000001,106.60241,
9036,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3](/[C:4](=[C:5](\[C:6](=[O:7])[H:17])[H:15])[H:14])([H:12])[H:13])[H:11])([H:8])[H:9].[H:10][H:16],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O.H2/c1-2-3-4-5-6-7;/h2,4-6H,1,3H2;1H/b5-4-;",120.00323999999999,33.670759999999994,
9037,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3]([C:4](=[C:5](\[C:6]([O:7][H:12])([H:16])[H:17])[H:15])/[H:14])\[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3/b3-2+,5-4-",71.90596,15.02224,
9038,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:16])([O:7]/[C:6](=[C:5](\[C:4][H:14])[H:15])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-4-5-7-6(2)3/h1,4-6H,2-3H3/b5-4-",128.833,82.10909000000001,
9039,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C+:3]([H:13])[C:4]([H:14])=[C-:5][C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10].[H:12][H:15],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O.H2/c1-6-4-2-3-5-7-6;/h2,4,6H,5H2,1H3;1H/t6-;/m0./s1",117.73438999999999,92.74339,
9040,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3](/[C:4](=[C:5](\[C:6]([O:7][H:10])([H:16])[H:17])[H:15])[H:14])([H:12])[H:13])[H:11])([H:8])[H:9],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2,4-5,7H,1,3,6H2/b5-4-",67.75458,22.12744,
9041,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[O+:7][C:6]([H:16])([H:17])[C:5]([H:15])=[C-:4][C:3]1([H:12])[H:13])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O.H2/c1-6-4-2-3-5-7-6;/h3H,4-5H2,1H3;1H",108.23279,93.3127,
9042,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4][C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h6H,3-5H2,1H3/t6-/m0/s1",70.80657,70.55904,Singlet_Carbene_Intra_Disproportionation
9043,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[O+:7][C:6]([H:16])([H:17])[C:5]([H:11])([H:15])[C-:4]([H:14])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2H,3-5H2,1H3",81.25689,74.87874000000001,
9044,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C:3][N:4]([H:15])[C@:7]2([H:14])[C@@:5]1([H:11])[C:6]2([H:12])[H:13])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c6-4-2-7-5-1-3(4)5/h3-5,7H,1,6H2/t3-,4-,5-/m0/s1",97.30704,43.23754,
9045,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C@@:2]1([H:10])/[C:3](=[N:4]/[H:11])[C:5]12[C:6]([H:12])([H:13])[C:7]2([H:14])[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c6-3-4(7)5(3)1-2-5/h3,7H,1-2,6H2/b7-4-/t3-/m0/s1",111.59145,40.57173,
9046,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C:2](=[C:3]=[N:4][C:6]([C:5](=[C:7]([H:14])[H:15])[H:11])([H:12])[H:13])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c1-2-4-7-5-3-6/h2-3H,1,4,6H2",84.80521999999999,28.146259999999998,
9047,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C@@:2]1([H:10])/[C:3](=[N:4]/[H:15])[C@:7]2([H:14])[C@@:5]1([H:11])[C:6]2([H:12])[H:13])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c6-4-2-1-3(2)5(4)7/h2-4,7H,1,6H2/b7-5+/t2-,3+,4-/m1/s1",98.29878000000001,18.733620000000002,
9048,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C@@:2]([C:3]1=[N:4][C:6]1([H:12])[H:13])([C:5](=[C:7]([H:14])[H:15])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c1-2-4(6)5-3-7-5/h2,4H,1,3,6H2/t4-/m1/s1",95.55816999999999,34.74301,
9049,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[C:5]1([H:11])=[C:7]([H:14])[C:6]1([H:12])[H:13].[N:1]([C@:2]1([H:10])[C:3]([H:15])=[N:4]1)([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C3H4.C2H4N2/c1-2-3-1;3-2-1-4-2/h1-2H,3H2;1-2H,3H2/t;2-/m.0/s1",111.51498000000001,86.71186,
9050,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([N:4]=[C:3]=[C:2]([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c6-7-4-3-5-1-2-5/h3,5H,1-2,6H2",102.86025,44.31646,
9051,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N+:1]1([H:8])([H:9])[C@:2]([C:3]#[N:4])([H:10])[C-:5]1[C:7]([C:6]([H:11])([H:12])[H:13])([H:14])[H:15],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c1-2-4-5(3-6)7-4/h5H,2,7H2,1H3/t5-/m0/s1",69.00752,58.17199,
9052,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1](/[C:2](=[C:5](/[C:6]([C:7]([C:3]#[N:4])([H:14])[H:15])([H:12])[H:13])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c6-4-2-1-3-5-7/h2,4H,1,3,6H2/b4-2+",85.95340999999999,-11.54018,
9053,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C:3]1=[N:4][C@:2]1([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c6-5-4(7-5)3-1-2-3/h3-4H,1-2H2,(H2,6,7)/t4-/m0/s1",88.87885,25.88382,
9054,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C:7]([C:6](/[C:5](=[C:2](/[C:3]#[N:4])[H:10])[H:11])([H:12])[H:13])([H:14])[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c6-4-2-1-3-5-7/h1-2H,3,5,7H2/b2-1+",81.95546999999999,-7.69981,
9055,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C@@:2]([C-:3]=[N+:4]=[C:6]([H:12])[H:13])([C:5](=[C:7]([H:14])[H:15])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c1-3-5(6)4-7-2/h3,5H,1-2,6H2/t5-/m1/s1",89.01523,47.443740000000005,
9056,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C@@:2]([N+:4]#[C-:3])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c1-7-5(6)4-2-3-4/h4-5H,2-3,6H2/t5-/m0/s1",46.13857,18.3676,
9057,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C@@:2]([C:3]#[N:4])([C:5][C:6]([C:7]([H:11])([H:14])[H:15])([H:12])[H:13])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c1-2-3-5(7)4-6/h5H,2,7H2,1H3/t5-/m1/s1",67.33381999999999,68.08621,
9058,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[C:2]([C:3]#[N:4])(=[C:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10].[N:1]([H:8])([H:9])[H:11],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H5N.H3N/c6-4-3-5-1-2-5;/h3H,1-2H2;1H3",74.27837,18.33493,"1,3_NH3_elimination"
9059,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[C:5]1([H:11])=[C:6]([H:13])[C:7]1([H:14])[H:15].[N:1]([C:2](=[C:3]=[N:4][H:12])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C3H4.C2H4N2/c1-2-3-1;3-1-2-4/h1-2H,3H2;1,4H,3H2",84.87893000000001,74.61598000000001,Retroene
9060,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]=[C:2]([C:3]([H:8])([H:9])[H:10])[C:7]([C:5](=[C+:4][H:11])[O-:6])([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,"InChI=1S/C5H6O2/c1-4(6)3-5(2)7/h1H,3H2,2H3",91.54952,90.40635,
9061,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C@@:4]2([H:11])[C@:5]([H:10])([O:6]2)[C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,"InChI=1S/C5H6O2/c6-3-1-4-5(2-3)7-4/h4-5H,1-2H2/t4-,5+",91.67746,23.35432,
9062,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O-:1][O+:6]=[C:5]1[C:4]([H:10])([H:11])[C:3]([H:8])([H:9])[C:2][C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,"InChI=1S/C5H6O2/c6-7-5-3-1-2-4-5/h1,3-4H2",201.37386999999998,174.68095,
9063,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([O:6][H:13])=[C:7]1[H:12],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,"InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h3,6H,1-2H2",64.31458,0.64995,ketoenol
9064,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]1[C:2](=[C:7]([H:12])[H:13])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1=[O:6],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h1-3H2,71.56524,1.36689,ketoenol
9065,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]=[C:2]=[C:7]([C:5]([C:4]([C:3]([H:8])([H:9])[H:13])([H:10])[H:11])=[O:6])[H:12],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,"InChI=1S/C5H6O2/c1-2-5(7)3-4-6/h3H,2H2,1H3",77.88043,12.94437,
9066,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[C-:5]#[O+:6].[C:3](=[C:4]([H:10])[H:11])([H:8])[H:9].[O:1]=[C:2]=[C:7]([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,InChI=1S/C2H2O.C2H4.CO/c1-2-3;2*1-2/h1H2;1-2H2;,94.59604,44.346709999999995,
9067,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13])[H:9],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,"InChI=1S/C5H6O2/c6-3-4-1-5(7)2-4/h3-4H,1-2H2",90.90716,24.33885,
9068,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:11])=[C:5]([O:6][H:10])[C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,"InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1,6H,2-3H2",70.03815,8.804969999999999,ketoenol
9069,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C@:4]1([H:12])[C:5]([C:6]([H:13])([H:14])[H:15])=[N:7]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-4-5(7-4)3-6-2/h3,5H,1-2H3/b6-3+/t5-/m1/s1",91.52419,40.81691,
9070,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]=[C:4]([H:12])[C:5]([C:6]([H:13])([H:14])[H:15])=[N:7]1)([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H6N2.H2/c1-5-3-4-7(2)6-5;/h3H,2H2,1H3;1H",122.38203999999999,93.97648000000001,
9071,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:2]1=[C:3]=[C:4]([H:12])[C:5](=[C:6]([H:14])[H:15])[N-:7]1)([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H6N2.H2/c1-5-3-4-7(2)6-5;/h3H,1H2,2H3;1H",158.66776000000002,102.20009,
9072,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C+:4][C@@:5]([C:6]([H:13])([H:14])[H:15])([H:12])[N-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h4-5H,1-2H3/t5-/m0/s1",83.16608000000001,83.43427,
9073,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:11])[C-:3]=[C:4]([H:12])[C:5]([C:6]([H:13])([H:14])[H:15])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3,7H,1-2H3",84.46417,70.90528,
9074,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C@@:3]2([H:11])[C:4]([H:12])=[C:5]([C:6]([H:13])([H:14])[H:15])[N:7]12)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-4-3-5-6(2)7(4)5/h3,5H,1-2H3/t5-,6?,7?/m1/s1",106.29314,81.46547,
9075,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([n:7]1[n:2][c:3]([H:11])[c:4]([H:12])[c:5]1[C:6]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-6-7(5)2/h3-4H,1-2H3",70.43517,0.10240999999999999,
9076,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C-:1]([N+:2]1([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([C:6]([H:13])([H:14])[H:15])=[N:7]1)([H:8])[H:9],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4,7H,2H2,1H3",99.84432,96.50666,
9077,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]([C:4](=[C:5]=[N:7][C:6]([H:13])([H:14])[H:15])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-6-4-3-5-7-2/h3-4H,1-2H3",91.32700000000001,33.129540000000006,
9078,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[N+:2]1[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([C:6]([H:13])([H:14])[H:15])[N-:7]1)([H:8])[H:9],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3H,2,4H2,1H3",101.87366,46.20902,
9079,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]([H:12])[C:5](=[C:6]([H:14])[H:15])[N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4,6H,1H2,2H3",82.7811,36.55668,
9080,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[N+:2]1[C:3]([H:11])=[C:4]([H:12])[C@:5]([C:6]([H:13])([H:14])[H:15])([H:10])[N-:7]1)([H:8])[H:9],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-5H,2H2,1H3/t5-/m1/s1",108.73592,54.11968,
9081,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:11])[C:4]([H:10])([H:12])[C:5]([C:6]([H:13])([H:14])[H:15])=[N:7]1)([H:8])[H:9],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h4H,2-3H2,1H3",107.6516,57.08249,
9082,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C+:4][C:5](=[C:6]([H:14])[H:15])[N-:7]1)([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H6N2.H2/c1-5-3-4-7(2)6-5;/h4H,1H2,2H3;1H",134.06506000000002,109.07613,
9083,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C-:1]([n+:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4,6H,2H2,1H3",67.79858,58.14391,
9084,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[N:2]=[N:7][C:5]([C:6]([H:13])([H:14])[H:15])=[C:4]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3-4H,1-2H3/t4-/m1/s1",65.83276,22.91977,
9085,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]([C:2]1=[C:6]([O-:7])[C:5]([H:11])=[C+:4][C:3]1([H:8])[H:9])[H:10],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h2H,3H2,(H-,6,7)",113.98352,78.78895,
9086,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]([C+:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]=[C:6]1[O-:7])[H:11],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1,6H,2H2",125.97523999999999,84.17568,
9087,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]=[C:2](/[C:3](=[C:4](\[C:5](=[C:6]=[O:7])[H:11])[H:10])[H:9])[H:8],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2",InChI=1S/C5H4O2/c6-4-2-1-3-5-7/h1-4H/b2-1-,73.62416999999999,16.66198,
9088,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[C:3](=[C:4]([C:5](=[C:6]=[O:7])[H:11])[H:10])([H:8])[H:9].[O+:1]#[C-:2],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C4H4O.CO/c1-2-3-4-5;1-2/h2-3H,1H2;",42.40033,16.76824,
9089,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4][C:5]([H:10])([H:11])[C:6]1=[O:7],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2",InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h2-3H2,77.8186,74.57515,Singlet_Carbene_Intra_Disproportionation
9090,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C@@:4]1([C:5](=[C:6]=[O:7])[H:11])[H:10],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c6-2-1-4-3-5(4)7/h1,4H,3H2/t4-/m0/s1",81.96537,37.22616,
9091,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]([C:2]1=[C:3]([H:8])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7])[H:9],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-3H,(H,6,7)",74.85859,11.9658,ketoenol
9092,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[o:1]1[c:2]([H:8])[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[c:6]1=[O:7],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2",InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,73.6217,-11.67239,
9093,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]=[C:6]1[O:7][H:11],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1,7H,2H2",80.60786999999999,60.44895,ketoenol
9094,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]=[C:2]1/[C:6](=[C:5](\[C:4](=[C:3]([H:8])[H:9])[H:10])[H:11])[O:7]1,"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c1-2-3-4-5(6)7-4/h2-3H,1H2/b4-3+",50.996629999999996,41.24536,
9095,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[H:10][H:11].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]#[C:5][C:6]1=[O:7],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2",InChI=1S/C5H2O2.H2/c6-4-2-1-3-5(4)7;/h2H2;1H,117.28913,95.25713,
9096,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]=[C:2]([C:3]([C:4](=[O:7])[H:10])([H:8])[H:9])[C:6]#[C:5][H:11],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c1-2-5(7)3-4-6/h1,4H,3H2",128.22703,36.074059999999996,
9097,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]([C:2](=[O+:3][C-:4]([H:11])[H:12])[H:10])([C:7](=[O+:6][C-:5]([H:13])[H:14])[H:15])([H:8])[H:9],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-6-4-3-5-7-2/h4-5H,1-3H2",117.03915,109.85673999999999,
9098,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:9])=[C:2]([H:10])[C:7]1([O:6][C:5]([C:4](=[O:3])[H:12])([H:13])[H:14])[H:15].[H:8][H:11],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O2.H2/c6-3-4-7-5-1-2-5;/h1-3,5H,4H2;1H",94.26388,45.13512,
9099,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1](=[C:2]([O:3][C:4]([C:5]([O+:6]=[C-:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-3-7-5-4-6-2/h2-3H,1,4-5H2",60.14188000000001,51.28487,
9100,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]([C@@:7]1([H:15])[C:2]([H:10])=[O+:3][C-:4]([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])([H:9])[H:11],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5-4-6-2-3-7-5/h2,4-5H,3H2,1H3/t5-/m0/s1",67.37468,39.12471,
9101,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C-:5]([H:14])[O+:6]=[C:7]12.[H:13][H:15],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O2.H2/c1-2-7-5-3-4(5)6-1;/h1,5H,2-3H2;1H/t5-;/m1./s1",93.23155,89.11832,
9102,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1](=[C:2]([C:7]([O:6][C:5]([C:4](=[O:3])[H:11])([H:13])[H:14])([H:12])[H:15])[H:10])([H:8])[H:9],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h2-3H,1,4-5H2",74.74161,-8.474680000000001,
9103,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:9])=[C:2]([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C:7]1([H:8])[H:15],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-2-6-4-5-7-3-1/h1-2H,3-5H2",68.58357,-11.58906,
9104,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C-:2]=[O+:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C:7]1([H:10])[H:15],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-2-6-4-5-7-3-1/h1-2,4-5H2",61.60646,34.83599,
9105,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])=[C:7]1[H:15].[C:5](=[O:6])([H:13])[H:14].[O:3]=[C:4]([H:11])[H:12],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C3H4.2CH2O/c1-2-3-1;2*1-2/h1-2H,3H2;2*1H2",108.0481,56.49564,
9106,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C@:2]([O:3][C:4](=[C:5]([H:13])[H:14])[H:12])([H:10])[C@:7]1([O:6][H:11])[H:15],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6/h2,4-6H,1,3H2/t4-,5+/m0/s1",77.49865,1.41819,
9107,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([C:7][H:15])([H:8])[H:9],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-2-5-6-3-4-7-5/h1,5H,2-4H2",99.60538000000001,61.89208000000001,
9108,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]([C:2](=[O:3])[H:10])([C:7](=[O:6])[H:15])([H:8])[H:9].[C:4](=[C:5]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C3H4O2.C2H4/c4-2-1-3-5;1-2/h2-3H,1H2;1-2H2",56.3771,-6.28524,
9109,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])=[C:5]([H:13])[O:6][C@:7]12[H:15].[H:12][H:14],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O2.H2/c1-2-7-5-3-4(5)6-1;/h1-2,4-5H,3H2;1H/t4-,5+;",101.01562,22.91708,
9110,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[O:6][C@@:7]1([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])[H:15],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-2-6-4(1)5-3-7-5/h4-5H,1-3H2/t4-,5-/m0/s1",120.56528999999999,8.345839999999999,
9111,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O+:3]=[C-:4][C:5]([H:13])([H:14])[O:6][C@@:7]12[H:15].[H:11][H:12],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O2.H2/c1-2-7-5-3-4(5)6-1;/h4-5H,1,3H2;1H/t4-,5+;/m0./s1",84.35807,70.26975999999999,
9112,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C@:2]([O:3][C:4]([C:5][H:13])([H:11])[H:12])([H:10])[C@:7]1([O:6][H:14])[H:15],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6/h1,4-6H,2-3H2/t4-,5+/m0/s1",90.34640999999999,82.6571,
9113,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]([C:2](=[O+:3][C-:4]([H:11])[H:12])[H:10])([C@@:7]1([H:15])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-6-3-2-5-4-7-5/h3,5H,1-2,4H2/t5-/m0/s1",105.92013,61.30871,
9114,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]([C@@:7]1([H:15])[C-:2]=[O+:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5-4-6-2-3-7-5/h5H,2-3H2,1H3/t5-/m0/s1",57.91709,28.588520000000003,
9115,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:9])=[C:7]([H:15])[C:2]1([O:3][C:4]([C:5]([O:6][H:8])([H:13])[H:14])([H:11])[H:12])[H:10],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c6-3-4-7-5-1-2-5/h1-2,5-6H,3-4H2",73.85028,24.67146,
9116,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:3][H:11])[C:4]2([O:5]1)[C:6]([H:12])([H:13])[C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C5H8O2/c1-4(6)5(7-4)2-3-5/h6H,2-3H2,1H3/t4-/m1/s1",53.68926999999999,25.96554,
9117,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:3][H:11])[C:4](=[O:5])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1",31.44548,-1.35314,
9118,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:4]([O:5][H:11])[C:6]([H:12])([H:13])[C:7]([H:14])([H:15])[O:3]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h6H,2-3H2,1H3",59.66196,1.98245,ketoenol
9119,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:8])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h6-7H,1-3H2",65.48751999999999,15.084570000000001,ketoenol
9120,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]1=[C:6]([H:12])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10].[O:5]([H:11])[H:13],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C5H6O.H2O/c1-4(6)5-2-3-5;/h2H,3H2,1H3;1H2",77.17813000000001,40.29327,
9121,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]=[O+:3][C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C5H8O2/c1-2-7-5(6)3-4-5/h6H,3-4H2,1H3",116.4142,63.21206,
9122,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:6]([C:7]([C:4][O:5][H:11])([H:14])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h6H,2-3H2,1H3",51.28942,40.39203,
9123,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:14])([H:8])([H:9])[H:10].[C:4]1([O:5][H:11])=[C:7]([H:15])[C:6]1([H:12])[H:13],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C3H4O.C2H4O/c4-3-1-2-3;1-2-3/h1,4H,2H2;2H,1H3",99.20017,54.032140000000005,
9124,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]=[O:3])([H:9])[H:10].[C:4]1([O:5][H:11])([H:8])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C3H6O.C2H2O/c4-3-1-2-3;1-2-3/h3-4H,1-2H2;1H2",84.35337,29.10107,
9125,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[O:3][C:6]([H:12])([H:13])[C@:4]1([O:5][H:11])[C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m0/s1",99.02163,32.66316,
9126,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C@:5]1([C:6]([C:7]([H:18])([H:19])[H:20])([H:15])[H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H13N/c1-4-6-5(2)7(6)3/h5-6H,4H2,1-3H3/t5-,6+,7?/m1/s1",143.41612,4.0889,
9127,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C-:2]1[N+:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h7H,1-4H3",76.45631999999999,51.7159,
9128,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N+:3]([C:4]([H:12])([H:13])[H:14])([C:7]([H:18])([H:19])[H:20])[C-:5]1[C:6]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H13N/c1-5-6(2)7(5,3)4/h5H,1-4H3/t5-/m1/s1",106.35269,59.12033,
9129,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C:2]([C:7](/[C:5](=[N:3]/[C:4]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:19])[H:20])([H:11])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H13N/c1-4-5-6(2)7-3/h4-5H2,1-3H3/b7-6+",91.30868000000001,-15.006429999999998,
9130,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]=[C:4]([H:12])[H:14])([C:5]([C:6]([H:13])([H:16])[H:17])([C:7]([H:18])([H:19])[H:20])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H13N/c1-5(2)6(3)7-4/h5-6H,4H2,1-3H3/t6-/m1/s1",81.27813,-11.85951,
9131,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[C:4]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[C:5]([C:6]([H:15])([H:16])[H:17])(=[C:7]([H:18])[H:19])[H:20],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C3H7N.C3H6/c1-3-4-2;1-3-2/h3H,1-2H3;3H,1H2,2H3/b4-3+;",96.15463000000001,6.17223,
9132,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[C:5]([C:4]([H:12])([H:13])[H:14])([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H13N/c1-5-7-6(2,3)4/h5H,1-4H3/b7-5-",92.78806999999999,-12.1378,
9133,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1=[C:6]([H:16])[H:17])([H:8])([H:9])[H:10].[C:7]([H:15])([H:18])([H:19])[H:20],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C5H9N.CH4/c1-4-5(2)6(4)3;/h5H,1H2,2-3H3;1H4/t5-,6?;/m1./s1",116.64053999999999,24.78538,
9134,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N+:3]([C-:4]([H:12])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H11N.H2/c1-5-6(2,3)7(5)4;/h4H2,1-3H3;1H",82.42181,66.92761999999999,
9135,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:3]([C:4]([H:12])([H:13])[H:14])=[C:5]([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H13N/c1-5-7(4)6(2)3/h5H,1-4H3",48.35718,30.134729999999998,
9136,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N+:3]([C-:4]([H:12])[H:14])=[C:5]1[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10].[C:6]([H:13])([H:15])([H:16])[H:17],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C5H9N.CH4/c1-4-5(2)6(4)3;/h4H,3H2,1-2H3;1H4/t4-;/m1./s1",93.88805,58.51503,
9137,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([N+:3]1([C:4]([H:12])([H:13])[H:14])[C-:2]([H:11])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H13N/c1-6(2)5-7(6,3)4/h5H,1-4H3",108.62415,60.13981999999999,
9138,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]=[C:5]([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([C:4]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H13N/c1-5(2)7-6(3)4/h5H,1-4H3",90.49009000000001,-19.62574,
9139,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2]([C@:3]1([H:11])[O:4][C:5]1=[O:6])=[N:7]\[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-2(5)3-4(6)7-3/h3,5H,1H3/b5-2+/t3-/m0/s1",80.37857,42.481190000000005,
9140,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3](=[O:4])[H:11])=[N:7]/[C:5](=[O:6])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-4(2-6)5-3-7/h2-3H,1H3/b5-4-",77.14393000000001,30.30503,
9141,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[O+:4][C:5](=[O:6])[N:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h3H,1H3,(H,5,6)/t3-/m0/s1",59.80699,49.29914,Singlet_Carbene_Intra_Disproportionation
9142,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([c:2]1[c-:3][o+:4][c:5]([O:6][H:11])[n:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h5-6H,1H3",148.19339,63.83778,
9143,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)",54.251290000000004,9.041939999999999,ketoenol
9144,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C@:3]1([H:11])[C-:2]=[N+:7]([H:12])[C:5](=[O:6])[O:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-5-4(6)7-3/h3,5H,1H3/t3-/m1/s1",69.2932,34.71224,
9145,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:10])([H:11])[O:4][C:5](=[O:6])[N:7]1[H:12])([H:8])[H:9],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h1-2H2,(H,5,6)",85.99993,3.7036800000000003,
9146,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]([C:3](=[O:4])[H:11])([N:7]=[C:5]=[O:6])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-4(2-6)5-3-7/h2,4H,1H3/t4-/m1/s1",68.54472,11.047880000000001,
9147,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1](/[C:2]([C:3](=[O:4])[H:11])=[N:7]\[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C3H5NO.CO/c1-3(4)2-5;1-2/h2,4H,1H3;/b4-3+;",69.38811,33.5436,
9148,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C:5](=[O:6])[O:4][C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H2,1H3",68.57691,3.3137,
9149,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3](=[O:4])[H:11])[C:5](=[O:6])[N:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-4(2-6)3(7)5-4/h2H,1H3,(H,5,7)/t4-/m1/s1",63.91284,46.241640000000004,ketoenol
9150,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])[C-:4]=[C:5]([H:13])[C+:6]1[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h3,7H,4H2,1H3",66.20841999999999,54.72108000000001,Singlet_Carbene_Intra_Disproportionation
9151,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C-:4][C:5]([H:12])([H:13])[C+:6]1[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h4,7H,3H2,1H3",78.63367,69.28715,
9152,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]1([O:7][H:14])[H:10])([H:8])[H:9],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-5,7H,1H2/t5-/m0/s1",105.10041000000001,49.03423,
9153,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]=[C:5]([H:13])[C@@:6]1([O:7][H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h3-5,7H,1H3/t5-/m0/s1",95.07474,72.08593,
9154,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2,4H,3H2,1H3",58.47983000000001,-8.27721,ketoenol
9155,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[N:2]=[C:6]([O:7][H:14])[C:5]([H:13])=[C:4]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-4-2-3-5(7)6-4/h2-4H,1H3,(H,6,7)/t4-/m1/s1",62.91007,1.52724,
9156,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N:2]1[C+:3]([H:11])[C:4]([H:12])=[C-:5][C@@:6]1([O:7][H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2,4-5,7H,1H3/t5-/m0/s1",70.41105,66.76109,Singlet_Carbene_Intra_Disproportionation
9157,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1](=[N+:2]1[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])=[C:6]1[O-:7])([H:8])[H:9].[H:10][H:14],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H5NO.H2/c1-6-4-2-3-5(6)7;/h2-4H,1H2;1H",72.98355,47.98039,
9158,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N:2]1[C+:3]([H:11])[C:4]([H:12])([H:13])[C-:5]=[C:6]1[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h4,7H,2H2,1H3",75.38561999999999,72.09111,
9159,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:13])[C:4]([H:12])=[C:5]=[C:6]1[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2,7H,4H2,1H3",75.4278,48.56881,
9160,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:14])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])=[C:6]1[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3",62.77636999999999,27.584229999999998,
9161,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:6](/[C:5](=[C:4]=[C:3]([H:11])[H:12])[H:13])[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-3-4-5(7)6-2/h4H,1H2,2H3,(H,6,7)",96.88036,34.31196,
9162,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C-:1]([N+:2]1([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])=[C:6]1[O:7][H:14])([H:8])[H:9],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,6-7H,1H2",97.10664,90.84998,
9163,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([C@:6]1([O:7][H:14])[N:2]=[C:3]([H:11])[C:4]([H:12])=[C:5]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-5(7)3-2-4-6-5/h2-4,7H,1H3/t5-/m1/s1",60.17754,10.80509,
9164,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])=[C:5]([H:13])[C@:6]12[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(4,6)7/h2-4,7H,1H3/t4-,5-,6?/m1/s1",95.99764,74.60105,Intra_2+2_cycloaddition_Cd
9165,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:11])[C-:3]=[C:4]([H:12])[C:5]([H:13])=[C:6]1[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-3,6-7H,1H3",87.36016,79.30288,
9166,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:7]([O:6][C:5]([C:4]([O:3][H:17])([H:13])[H:14])([H:15])[H:16])([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3","InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3",98.94,-8.77308,
9167,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[H:8][H:14].[O:3]=[C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])[H:13],"InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3","InChI=1S/C3H6O2.C2H4.H2/c1-5-3-2-4;1-2;/h2H,3H2,1H3;1-2H2;1H",75.03989,35.31664,
9168,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2]([O+:3]=[C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])[H:13])([H:11])[H:12].[C:1]([H:8])([H:9])([H:10])[H:14],"InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3","InChI=1S/C4H8O2.CH4/c1-5-3-4-6-2;/h3H,1,4H2,2H3;1H4",96.59359,72.3522,
9169,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[O:3][C:4]([H:13])([H:14])[C:5]1([H:15])[H:16].[O:6]([C:7]([H:17])([H:18])[H:19])[H:8],"InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3","InChI=1S/C4H8O.CH4O/c1-2-4-5-3-1;1-2/h1-4H2;2H,1H3",98.15964,-0.51041,
9170,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O+:3][C-:4]([H:13])[H:14])[H:12])([H:8])([H:9])[H:10].[C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:11])([H:15])[H:16],"InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3","InChI=1S/C3H6O.C2H6O/c1-3-4-2;1-3-2/h3H,2H2,1H3;1-2H3",96.19584,77.03730999999999,
9171,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]1([H:13])([H:14])[C:5]([H:15])([H:16])[O:6][C:7]1([H:18])[H:19],"InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3","InChI=1S/C3H6O.C2H6O/c1-2-4-3-1;1-2-3/h1-3H2;3H,2H2,1H3",101.26308,14.803510000000001,
9172,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[O:3]([C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])[H:8],"InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3","InChI=1S/C3H8O2.C2H4/c1-5-3-2-4;1-2/h4H,2-3H2,1H3;1-2H2",67.69057,17.44523,"1,3_Insertion_ROR"
9173,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:6]([N:5]([C:4](=[C:3]([C:2]#[N:7])[H:8])[H:9])[H:10])[H:11],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c5-2-1-3-6-4-7/h1,3-4H,(H,6,7)",105.87154,13.596020000000001,
9174,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]1[C:2]2=[C:3]([H:8])[C@@:4]1([H:9])[N:5]([H:10])[C:6]([H:11])=[N:7]2,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c1-3-5-2-6-4(1)7-3/h1-3H,(H,5,6)/t3-/m0/s1",117.508,105.03661000000001,
9175,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:3]([C-:4]([N:5]([C+:6]([N+:7]#[C-:2])[H:11])[H:10])[H:9])[H:8],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c1-5-4-6-2-3-7/h2-4,6H",100.61584,75.71315,
9176,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][c:6]([H:11])[n:7]1[H:10],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)",76.38691999999999,-9.39889,
9177,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[H:10][H:11].[O:1]=[C:2]1[C:3]([H:8])=[C:4]([H:9])[N:5]=[C:6]=[N:7]1,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)",InChI=1S/C4H2N2O.H2/c7-4-1-2-5-3-6-4;/h1-2H;1H,82.44981,59.58056,
9178,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[C:6](#[N:7])[H:11].[O:1]=[C:2]=[C:3](/[C:4](=[N:5]/[H:10])[H:9])[H:8],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C3H3NO.CHN/c4-2-1-3-5;1-2/h1-2,4H;1H/b4-2+;",61.661280000000005,39.7534,
9179,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n+:5]([H:10])[c-:6][n:7]1[H:11],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-2,5H,(H,6,7)",71.28804000000001,17.678160000000002,
9180,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][c:6]([H:11])[n:7]1)[H:10],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)",99.14916,-10.20304,
9181,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C-:4]=[N+:5]([H:10])[C:6]([H:11])=[N:7]1,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h3,5H,1H2",67.10614,50.544090000000004,Singlet_Carbene_Intra_Disproportionation
9182,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[C:3](#[C:4][H:9])[H:8].[O:1]=[C:2]=[N:7][C:6](=[N:5][H:10])[H:11],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C2H2N2O.C2H2/c3-1-4-2-5;1-2/h1,3H;1-2H",83.18794,51.22696,
9183,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:2]1[C:3]([H:8])([H:10])[C:4]([H:9])=[N:5][C:6]([H:11])=[N:7]1,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h2-3H,1H2",75.41163,16.68279,
9184,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]([C:2]1=[C:3]=[C:4]([H:9])[N:5]([H:10])[C:6]([H:11])=[N:7]1)[H:8],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h2-3,7H,(H,5,6)",60.582159999999995,41.59022,ketoenol
9185,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:2]=[C:3]([C@@:4]1([H:9])[N:5]([H:10])[C:6]([H:11])=[N:7]1)[H:8],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-2-1-4-5-3-6-4/h1,3-4H,(H,5,6)",99.00487,50.62898,
9186,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[H:8][H:9].[O:1]=[c:2]1[c:3]#[c:4][n:5]([H:10])[c:6]([H:11])[n:7]1,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H2N2O.H2/c7-4-1-2-5-3-6-4;/h3H,(H,5,6,7);1H",107.13848999999999,95.11117,
9187,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:2]=[N:7][C@:6]1([H:11])[C:3]([H:8])=[C:4]([H:9])[N:5]1[H:10],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-3-6-4-1-2-5-4/h1-2,4-5H/t4-/m1/s1",85.90556,38.57312,
9188,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O+:1]1=[C:2]([H:8])[N:7]=[C:6]([H:11])[N:5]([H:10])[C:4]([H:9])=[C-:3]1,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c1-2-7-4-6-3-5-1/h1,3-4H,(H,5,6)",105.55625,93.29396,
9189,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]1[C@:2]23[C@@:3]1([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C:6]([H:11])=[N:7]3,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c1-5-2-3-4(2,6-1)7-3/h1-3H,(H,5,6)/t2-,3-,4+/m1/s1",96.09295,89.02026,
9190,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:2]1[C:3]([H:8])=[C:4]([H:9])[N+:5]2([H:10])[C-:6]([H:11])[N:7]12,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-4-1-2-5-3-6(4)5/h1-3,5H",123.34473,113.50981000000002,
9191,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[H:9][H:10].[O:1]=[C:2]1[C:3]([H:8])=[C:4]=[N:5][C:6]([H:11])=[N:7]1,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H2N2O.H2/c7-4-1-2-5-3-6-4;/h1,3H;1H",91.26829000000001,75.63493000000001,
9192,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1](/[C:2](=[C:3](\[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])[H:10])[H:9])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h1,3,5-7H,4H2/b3-1-/t5-/m0/s1",65.00385,40.90668,
9193,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[C:2](=[C:3]=[C:4]1[C@@:5]2([H:11])[C@:6]1([H:13])[N:7]2[H:14])([H:9])[H:10].[O:1]([H:8])[H:12],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H5N.H2O/c1-2-3-4-5(3)6-4;/h4-6H,1H2;1H2/t4-,5+;",88.68262,40.20945,
9194,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[C:2](=[C:3]=[C:4]1[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12)([H:9])[H:10].[O:1]([H:8])[H:14],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H5N.H2O/c1-2-4-5-3-6(4)5;/h5H,1,3H2;1H2/t5-,6?;/m1./s1",72.60546,34.43854,
9195,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]#[C:4]/[C:5](=[N:7]/[C:6]([H:12])([H:13])[H:14])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c1-6-4-2-3-5-7/h4,7H,5H2,1H3/b6-4+",66.28191,-11.56007,
9196,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:4](=[C:3]=[C:2]([H:9])[H:10])[C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c1-2-5(7)4-3-6-4/h4,6-7H,1,3H2/t4-/m1/s1",67.44774,-2.14122,
9197,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[C:2](=[C:3]=[C-:4][C@@:5]1([H:11])[C+:6]([H:12])[N:7]1[H:14])([H:9])[H:10].[O:1]([H:8])[H:13],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H5N.H2O/c1-2-3-5-4-6-5;/h4-6H,1H2;1H2/t5-;/m0./s1",106.2147,74.33764000000001,
9198,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C:4]=[C:5]1[C:6]([H:12])([H:13])[N:7]1[H:14])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h1,6-7H,3-4H2",86.17011,9.489130000000001,
9199,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C-:3]=[C:4]([C+:5]1[C:6]([H:12])([H:13])[N:7]1[H:14])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h2,6-7H,3-4H2",78.86899,50.3842,
9200,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]#[C:4][C:5]([N:7]([C:6][H:12])[H:14])([H:11])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c1-6-4-2-3-5-7/h1,6-7H,4-5H2",79.52996,29.707290000000004,
9201,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C:4])[C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c1-4(3-7)5-2-6-5/h5-7H,2-3H2/t5-/m1/s1",56.28677,50.38064,
9202,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[H:8][H:11].[O:1]1[C:2]([H:9])([H:10])[C:3]1=[C:4]=[C:5]1[C:6]([H:12])([H:13])[N:7]1[H:14],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H5NO.H2/c1(4-2-6-4)5-3-7-5;/h6H,2-3H2;1H",105.18992,55.08941,
9203,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2](=[C:3]=[C:4]([C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])[H:10])[H:9])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h2-3,5-7H,4H2/t1?,5-/m0/s1",70.51394,-2.90276,
9204,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C-:4][C@@:5]1([H:11])[C+:6]([H:12])[N:7]1[H:14])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h1,4-7H,3H2/t5-/m0/s1",123.10148000000001,63.34445,
9205,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[H:10][H:14].[O:1]([C:2](=[C:3]=[C:4]1[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12)[H:9])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H5NO.H2/c7-2-1-4-5-3-6(4)5;/h2,5,7H,3H2;1H/t1?,5-,6?;/m1./s1",94.28005999999999,49.5548,
9206,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3]/[C:4](=[C:5](/[C:6]([O:7][H:11])([H:14])[H:15])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h4-5,7H,6H2,1H3/b5-4+",58.41933,-11.6169,
9207,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:14])[C:4]([H:11])([H:12])[C@@:5]2([H:13])[C@:6]1([H:15])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m0/s1",125.84553000000001,-26.33519,
9208,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([H:11])[H:12])[C:6]([C:5](=[O:7])[H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-3-6(2)4-5-7/h5H,1,4H2,2H3",62.49,-19.78596,
9209,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]/[C:3](=[C:4](/[C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h3-4,6H,5H2,1H3/b4-3+/t6-/m0/s1",79.69303000000001,55.67783000000001,
9210,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([C:5]([O+:7]=[C-:6][H:14])([H:13])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-3-4-5-6-7-2/h2H,5-6H2,1H3",77.55143000000001,47.42868,
9211,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:3][C:4]([H:11])([H:12])[C:5]([H:13])=[O+:7][C:6]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-6-3-2-4-7-5-6/h4H,2,5H2,1H3",90.25796,40.2164,
9212,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C+:1]([C:2](=[C-:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])[H:9])([H:8])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h2,6H,1,4-5H2/t6-/m0/s1",83.14161999999999,61.594280000000005,
9213,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C-:5]1=[O+:7][C:6]1([H:14])[H:15].[C:1]([C:2](=[C:3]=[C:4]([H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C4H6.C2H2O/c1-3-4-2;1-2-3-1/h4H,1H2,2H3;1H2",83.68355,60.54022,
9214,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]([C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])[H:9])([H:8])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h3,6H,1,4-5H2/t6-/m0/s1",83.91691999999999,3.3393699999999997,
9215,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([C:5][C:6]([O:7][H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h7H,4,6H2,1H3",72.13172,67.12403,
9216,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]=[C:4]([H:11])[H:12])([H:8])[H:10].[C:5]([C:6]([H:9])([H:14])[H:15])(=[O:7])[H:13],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C4H4.C2H4O/c1-3-4-2;1-2-3/h1-2H2;2H,1H3",96.34181,10.109580000000001,
9217,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([C:5](=[O+:7][C-:6]([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-3-4-5-6-7-2/h6H,2,5H2,1H3",67.13323000000001,54.73859,
9218,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3])[C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-5(2)3-6-4-7-6/h6H,3-4H2,1H3/t6-/m0/s1",57.621140000000004,53.00804,
9219,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C-:2]=[C:3]([C+:4]([H:11])[H:12])[C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-3-5(2)6-4-7-6/h6H,2,4H2,1H3/t6-/m1/s1",95.95397,58.58855,
9220,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1](=[C:2]=[C:6]=[N:7][C:4]1([H:9])[O:3][O:5]1)[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-",InChI=1S/C3H2N2O2/c4-1-2-5-3-6-7-3/h3-4H,142.10283,120.88981000000001,
9221,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1]([C-:2]=[O+:3][C:4](=[O:5])[H:9])([N+:7]#[C-:6])[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C3H2N2O2/c1-4-5-2-7-3-6/h3,5H",109.17926999999999,79.04515,
9222,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1](=[c:2]1[c:6]([O:5][C:4](=[O:3])[H:9])[n:7]1)[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C3H2N2O2/c4-2-3(5-2)7-1-6/h1,4H",55.2314,36.02595,
9223,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1](=[C:2]=[C:6]=[N:7][O:5][C:4](=[O:3])[H:9])[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-",InChI=1S/C3H2N2O2/c4-1-2-5-7-3-6/h3-4H,80.09846999999999,74.74043,
9224,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[C:4](=[O:5])([N+:7]#[C-:6])[H:9].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-",InChI=1S/C2HNO.CHNO/c1-3-2-4;2-1-3/h2H;2H,54.050509999999996,11.77352,
9225,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1](=[C:2](\[O+:3]=[C-:4][O:5][H:9])[C:6]#[N:7])\[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-",InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h5-6H/b5-3-,77.45468000000001,42.354459999999996,
9226,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1](=[C:2]([O:3][C:4](=[O:5])[H:9])[N+:7]#[C-:6])[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C3H2N2O2/c1-5-3(4)7-2-6/h2,4H",50.9321,17.21012,
9227,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1](=[C:2]([O-:3])[C:6]#[N+:7][C:4](=[O:5])[H:9])[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C3H2N2O2/c4-3(7)1-5-2-6/h2H,(H-,4,7)",54.0326,40.80772,
9228,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1]([C-:2]=[O+:3][C:4](=[O:5])[H:9])([C:6]#[N:7])[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C3H2N2O2/c4-1-5-2-7-3-6/h3,5H",75.17143,31.34972,
9229,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C:1]([O:2][C-:3]1[C:4]([H:12])([H:13])[N+:5]([C:6]([H:14])([H:15])[H:16])([H:11])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C5H10NO/c1-6-3-5(4-6)7-2/h3-4H2,1-2H3/q-1/p+1",76.6547,69.36508,
9230,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])=[N+:5]([C-:6]([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C5H9NO.H2/c1-6-3-5(4-6)7-2;/h3,5H,1,4H2,2H3;1H/t5-;/m0./s1",70.11333,53.53698000000001,
9231,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][C:7]([N:5]([C:4]([H:11])([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:17])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C5H11NO/c1-6(2)4-5-7-3/h4H2,1-3H3",69.44411,38.789229999999996,
9232,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[C:7]([H:17])[H:18])[H:11])([H:8])([H:9])[H:10].[C:4](=[N:5][C:6]([H:14])([H:15])[H:16])([H:12])[H:13],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C3H6O.C2H5N/c1-3-4-2;1-3-2/h3H,1H2,2H3;1H2,2H3",88.50001,9.33961,
9233,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N+:5]([C-:6]([H:15])[H:16])([H:14])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5-6H,1,3-4H2,2H3",79.90486,60.71601,
9234,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1([H:11])[C-:4]([H:12])[N+:5]([C:6]([H:14])([H:15])[H:16])=[C:7]1[H:18])([H:8])([H:9])[H:10].[H:13][H:17],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C5H9NO.H2/c1-6-3-5(4-6)7-2;/h3-5H,1-2H3;1H",77.68589,70.10396999999999,
9235,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]1[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C5H9NO.H2/c1-6-3-5(4-6)7-2;/h2-4H2,1H3;1H",85.8955,85.23082,
9236,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([C:7]([N:5]([C:4]([H:10])([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:17])[H:18])[H:11])([H:8])[H:9],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C5H11NO/c1-6(2)4-5-7-3/h5H,3-4H2,1-2H3",86.22482,53.582919999999994,
9237,[C:1]([c:2]1[n:3][o:4][c:5](=[O:6])[o:7]1)([H:8])([H:9])[H:10],[C:1]([N:3]=[C:2]=[O:7])([H:8])([H:9])[H:10].[O:4]=[C:5]=[O:6],InChI=1S/C3H3NO3/c1-2-4-7-3(5)6-2/h1H3,InChI=1S/C2H3NO.CO2/c1-3-2-4;2-1-3/h1H3;,41.64725,-39.45094,
9238,[C:1]([c:2]1[n:3][o:4][c:5](=[O:6])[o:7]1)([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1]([C:2]([N:3]=[O:4])=[O:7])([H:8])([H:9])[H:10],InChI=1S/C3H3NO3/c1-2-4-7-3(5)6-2/h1H3,InChI=1S/C2H3NO2.CO/c1-2(4)3-5;1-2/h1H3;,79.84814,45.38046,
9239,[C:1]([c:2]1[n:3][o:4][c:5](=[O:6])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]#[N+:3][O-:4])([H:8])([H:9])[H:10].[C:5](=[O:6])=[O:7],InChI=1S/C3H3NO3/c1-2-4-7-3(5)6-2/h1H3,InChI=1S/C2H3NO.CO2/c1-2-3-4;2-1-3/h1H3;,48.26064,18.17575,
9240,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C-:3]#[O+:4].[C:1]([C:2](=[C:5]=[O:6])[H:11])([H:8])([H:9])[H:10].[N:7]([H:12])([H:13])[H:14],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C3H4O.CO.H3N/c1-2-3-4;1-2;/h2H,1H3;;1H3",58.12923000000001,31.29385,
9241,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O+:4]=[C-:3][H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3(7-2)4(5)6/h2-3H,1H3,(H2,5,6)/t3-/m1/s1",113.53558000000001,61.98445,
9242,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:5](\[O:6][C:3](=[O:4])[H:12])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-4(5)7-3-6/h2-3H,5H2,1H3/b4-2-",49.873259999999995,17.7794,ketoenol
9243,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@:2]([C:3](=[O:4])[H:12])([H:11])[C@:5]1([O:6][H:8])[N:7]([H:13])[H:14],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c5-4(7)1-3(4)2-6/h2-3,7H,1,5H2/t3-,4-/m0/s1",81.93835,29.19665,
9244,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@@:2]([C:5](=[O:6])[N:7]([H:13])[H:14])([H:11])[C@@:3]1([O:4][H:8])[H:12],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c5-4(7)2-1-3(2)6/h2-3,6H,1H2,(H2,5,7)/t2-,3+/m0/s1",83.77981,11.50809,
9245,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@@:3]([O+:6]=[C-:5][N:7]([H:13])[H:14])([H:12])[O:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-4(7-3)6-2-5/h3-4H,5H2,1H3/t3-,4-/m1/s1",103.18704,64.12894,
9246,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:3](=[O:4])[H:12])/[C:5](=[N:7]/[H:14])[O:6]1)([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c1-4(2-6)3(5)7-4;/h2,5H,1H3;1H/b5-3-;/t4-;/m0./s1",100.37052,61.73649,
9247,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[O:4][H:14])[H:12])[H:11])([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:13],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C3H6O.CHNO/c1-2-3-4;2-1-3/h2-4H,1H3;2H/b3-2-;",42.70975,18.01899,Retroene
9248,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3](=[O:4])[H:12])=[C:5](/[O:6][H:11])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2,7H,5H2,1H3/b4-3-",50.74408,10.51907,ketoenol
9249,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:12])([H:11])[H:13])([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:14],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C3H6O.CHNO/c1-2-3-4;2-1-3/h3H,2H2,1H3;2H",78.09398,9.464830000000001,
9250,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]([N:7]([H:13])[H:14])([H:12])[O:4][C:5]1=[O:6])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-3(5)7-4(2)6/h2-3H,5H2,1H3/t2-,3+/m0/s1",64.70671999999999,6.7384699999999995,
9251,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:5]1([N:7]([H:13])[H:14])[C@@:2]([C:3](=[O:4])[H:12])([H:11])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-4(5)3(2-6)7-4/h2-3H,5H2,1H3/t3-,4-/m0/s1",107.10871999999999,37.021770000000004,
9252,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([O:6]/[C:5](=[C:2](/[C:3](=[O:4])[H:12])[H:11])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-7-4(5)2-3-6/h2-3H,5H2,1H3/b4-2+",88.86204000000001,23.6828,ketoenol
9253,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C-:3]=[O+:4][H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h3,6H,1H3,(H2,5,7)/t3-/m0/s1",77.98736,46.44806,
9254,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[O:4])[H:12])(/[C:5]([O:6][H:14])=[N:7]\[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1",43.52435,11.64478,ketoenol
9255,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:12])=[C:5]=[O:6])([H:8])([H:9])[H:10].[N:7]([H:11])([H:13])[H:14],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H4O2.H3N/c1-4(2-5)3-6;/h2H,1H3;1H3",64.16141999999999,26.00393,"1,3_NH3_elimination"
9256,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C-:3]#[O+:4].[C:1](/[C:2](=[C:5](/[O:6][H:12])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C3H7NO.CO/c1-2-3(4)5;1-2/h2,5H,4H2,1H3;/b3-2+;",44.40549,19.76695,
9257,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3](=[O:4])[H:12])[C@@:5]([N:7]([H:13])[H:14])([H:11])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-4(2-6)3(5)7-4/h2-3H,5H2,1H3/t3-,4-/m1/s1",94.83131,35.4956,
9258,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[O:4][H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2,6H,1H3,(H2,5,7)/b3-2+",63.63853,2.89825,ketoenol
9259,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1](/[C:2](=[C:3](\[O:4][N:7]([H:13])[H:14])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C3H7NO.CO/c1-2-3-5-4;1-2/h2-3H,4H2,1H3;/b3-2-;",126.75721999999999,70.42997,
9260,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([O:4]/[C:3](=[C:2](/[C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-7-3-2-4(5)6/h2-3H,1H3,(H2,5,6)/b3-2+",90.65397,13.15446,ketoenol
9261,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[O:4])[H:12])([N:7]=[C:5]=[O:6])[H:11])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c1-4(2-6)5-3-7;/h2,4H,1H3;1H/t4-;/m0./s1",105.46288999999999,26.9888,
9262,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-3(6)4(5)7/h2H2,1H3,(H2,5,7)",77.82659,-6.91412,
9263,[C:1]([C@@:2]12[C@@:3]3([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:16])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-4-2-7(6)3-5(4)6/h4-5H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H9N/c1-5-6-2-3-7(5)4-6/h5-6H,3-4H2,1H3/t5-,6+/m0/s1",60.10917,47.44032,
9264,[C:1]([C@@:2]12[C@@:3]3([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C-:3]([H:11])[C@@:7]1([H:16])[C:6]([H:14])([H:15])[N+:5]2=[C:4]([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-4-2-7(6)3-5(4)6/h4-5H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H9N/c1-6-3-5(6)4-7(6)2/h3,5H,2,4H2,1H3/t5-,6-/m0/s1",64.50288,53.44432,
9265,[C:1]([C@@:2]12[C@@:3]3([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@@:3]([C:7][H:16])([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-4-2-7(6)3-5(4)6/h4-5H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H9N/c1-5-3-7-4-6(5,7)2/h1,5H,3-4H2,2H3/t5-,6-,7?/m1/s1",73.28275,63.81587,
9266,[C:1]([C@@:2]12[C@@:3]3([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:16])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-4-2-7(6)3-5(4)6/h4-5H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H9N/c1-6-2-4-7(6)5-3-6/h2,4-5H2,1H3/t6-/m0/s1",58.21555,54.51393,
9267,[C:1]([C@@:2]12[C@@:3]3([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@@:3]3([H:11])[N+:5]1([C-:4]([H:12])[H:13])[C:6]([H:14])([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-4-2-7(6)3-5(4)6/h4-5H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H9N/c1-6-4-3-7(6,2)5(4)6/h4-5H,2-3H2,1H3/t4-,5+,6-,7?/m1/s1",111.84051000000001,76.37456999999999,
9268,[C:1]([C@@:2]12[C@@:3]3([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C@@:3]2([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C:7]2([H:9])[H:16])([H:8])[H:10],"InChI=1S/C6H9N/c1-6-4-2-7(6)3-5(4)6/h4-5H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H9N/c1-5-6-2-3-7(5)4-6/h6H,1-4H2/t6-/m1/s1",87.85862,-17.70215,
9269,[C:1]([C@@:2]12[C@@:3]3([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:5][C:4]([H:12])([H:13])[C@:3]1([C:7](=[C:6]([H:14])[H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-4-2-7(6)3-5(4)6/h4-5H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H9N/c1-3-6-4-7-5(6)2/h3,6H,1,4H2,2H3/t6-/m1/s1",51.69782,-31.30511,
9270,[C:1]([C@@:2]12[C@@:3]3([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@:7]12[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-4-2-7(6)3-5(4)6/h4-5H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H9N/c1-5-2-3-7-4-6(5)7/h2,6H,3-4H2,1H3/t6-,7?/m1/s1",55.450480000000006,-33.91272,
9271,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]([O:7][H:19])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:13])([H:8])([H:9])[H:10].[C:3](=[C:4]([C:5]([H:14])([H:15])[H:16])[C:6]([O:7][H:19])([H:17])[H:18])([H:11])[H:12],"InChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O.CH4O/c1-4(2)3-5;1-2/h5H,1,3H2,2H3;2H,1H3",69.56826,14.48838,"1,3_Insertion_ROR"
9272,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]([O:7][H:19])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]([O:7][H:19])([H:17])[H:18])[H:13])[H:12])([H:8])[H:10].[H:9][H:11],"InChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2.H2/c1-5(3-6)4-7-2;/h4-6H,2-3H2,1H3;1H/t5-;/m0./s1",84.93045,84.23876,
9273,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]([O:7][H:19])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([C:5]([H:14])([H:15])[H:16])([H:13])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([O:7][H:19])[H:18],"InChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H10O.CH2O/c1-3-4-5-2;1-2/h3-4H2,1-2H3;1-2H",87.4223,76.22668,
9274,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]([O:7][H:19])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([O:7][H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([H:17])[H:18],"InChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H10O2.CH2/c1-4(5)3-6-2;/h4-5H,3H2,1-2H3;1H2/t4-;/m1./s1",125.26489,109.25518999999998,
9275,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]([O:7][H:19])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([C:5]([H:14])([H:15])[H:16])=[C:6]([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:13])[H:19],"InChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O.H2O/c1-5(2)4-6-3;/h1,4H2,2-3H3;1H2",69.774,11.08648,"1,3_Insertion_ROR"
9276,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]([O:7][H:19])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:19])([H:8])([H:9])[H:10].[C:3](=[C:4]([C:5]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12].[C:6](=[O:7])([H:17])[H:18],"InChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C3H6.CH4O.CH2O/c1-3-2;2*1-2/h3H,1H2,2H3;2H,1H3;1H2",67.53092,32.48878,
9277,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:12])([H:13])[H:14])[C:4](=[C:6]=[C:7]([H:11])[H:15])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-4-5-6(2,3)7-5/h1H2,2-3H3",82.64495,23.68167,
9278,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C-:4]=[O+:5][C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-4-7-5-6(2)3/h1,6H,2-3H3",104.10373,77.39666,
9279,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C-:1]([O+:5]=[C:4]([C:2]([C:3]([H:12])([H:13])[H:14])([H:9])[H:11])[C:6]#[C:7][H:15])([H:8])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-4-6(5-2)7-3/h1H,3,5H2,2H3",107.12701000000001,67.67737,
9280,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:12])([H:13])[H:14])[C@@:4]([C:6]#[C:7][H:15])([H:11])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-4-5-6(2,3)7-5/h1,5H,2-3H3/t5-/m0/s1",78.29514,18.076539999999998,
9281,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:6][C:7](=[O:5])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3",70.55015,1.36382,
9282,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@:6]([C:7][H:15])([H:14])[C:4]1=[O:5])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-4-3-5(2)6(4)7/h1,4-5H,3H2,2H3/t4-,5-/m1/s1",83.25835,64.65553,
9283,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:7](=[C:6]=[C:4]=[O:5])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-6(2)4-3-5-7/h4,6H,1-2H3",94.12284,0.83652,
9284,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([H:9])[H:11])([O+:5]=[C-:4][C:6]#[C:7][H:15])([H:8])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-3-5-7-6-4-2/h1H,4,6H2,2H3",111.90145,59.16113000000001,
9285,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:7](=[C:6]=[C:4]=[O:5])[H:15])([H:12])[H:14])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h4H,2-3H2,1H3",93.12229,2.2387599999999996,
9286,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6](=[C:7])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-4-6(7)5(2)3/h4-5H,2-3H3",40.29104,44.05782,Singlet_Carbene_Intra_Disproportionation
9287,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[H:11])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-4-6(2,3)5-7/h1,5H,2-3H3",75.45100000000001,2.1892400000000003,
9288,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:6]#[C:7][H:15])([H:8])([H:9])[H:10].[C:2]([C:3]([H:12])([H:13])[H:14])(=[C:4]=[O:5])[H:11],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C3H4O.C3H4/c1-2-3-4;1-3-2/h2H,1H3;1H,2H3",102.46804,18.766560000000002,
9289,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])=[C:4]([O:5][H:11])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,7H,2-3H3",68.749,6.746569999999999,ketoenol
9290,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([H:12])([H:13])[H:14])[H:11])([H:8])[H:10].[C:4](=[O:5])=[C:6]=[C:7]([H:9])[H:15],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C3H2O.C3H6/c1-2-3-4;1-3-2/h1H2;3H,1H2,2H3",56.158919999999995,27.48275,Retroene
9291,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]12[O:5][C@:7]1([H:15])[C:6]2)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-4(2)6-3-5(6)7-6/h4-5H,1-2H3/t5-,6-/m1/s1",70.89031,73.8952,
9292,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:5]/[C:4](=[C:2](/[C:3]([H:12])([H:13])[H:14])[H:11])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-4-6(5-2)7-3/h1,5H,2-3H3/b6-5+",97.38338,18.76052,ketoenol
9293,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@@:4]([C:3]([H:12])([H:13])[H:14])([C:6]#[C:7][H:15])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-4-6(3)5(2)7-6/h1,5H,2-3H3/t5-,6-/m1/s1",88.06024000000001,19.55056,
9294,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][O:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-6-4-7-3-2-5/h2H,3H2,1H3",108.2182,59.366519999999994,
9295,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[O:2][C@@:3]12[O:4][C@:6]([O:7][H:9])([H:13])[C:5]2([H:11])[H:12],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c5-3-1-4(7-3)2-6-4/h3,5H,1-2H2/t3-,4+/m1/s1",89.27105999999999,39.80061,
9296,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:7][C:6](=[C:5]([H:11])[H:12])[H:13])([H:8])([H:9])[H:10].[O:2]=[C:3]=[O:4],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C3H6O.CO2/c1-3-4-2;2-1-3/h3H,1H2,2H3;",79.45054,-0.80001,
9297,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][O:4][C@:6]1([H:13])[C:5]([H:11])([H:12])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-5-3-7-4-2-6-4/h4H,2H2,1H3/t4-/m1/s1",113.68942,77.68778,
9298,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([O:2][H:13])([H:8])([H:9])[H:10].[C:3](=[O:4])=[C:5]([H:11])[H:12],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C2H2O.CH4O.CO/c1-2-3;2*1-2/h1H2;2H,1H3;",64.5249,32.114020000000004,
9299,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[O:4])[C:5]([O+:7]=[C-:6][H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-6-3-4(5)7-2/h1H,3H2,2H3",118.43915,68.45423000000001,
9300,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([O:2][C:3]([O:4][H:13])=[C:5]([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C3H6O2.CO/c1-3(4)5-2;1-2/h4H,1H2,2H3;",48.80958,23.25455,
9301,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[O:4])[C:5]([C:6][O:7][H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h5H,2H2,1H3",81.15369,51.94637,
9302,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]1([O+:7]=[C-:6][H:13])[O:4][C:5]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-5-4(6-2)3-7-4/h1H,3H2,2H3/t4-/m0/s1",128.95781000000002,105.03628,
9303,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3]([O:4][H:12])=[C:5](/[C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h2-3,6H,1H3/b4-2+",59.96655,17.75459,ketoenol
9304,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:6](=[O:7])[H:13])([H:8])([H:9])[H:10].[C:3](=[O:4])=[C:5]([H:11])[H:12],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C2H4O2.C2H2O/c1-4-2-3;1-2-3/h2H,1H3;1H2",65.04755,20.31886,
9305,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[O:4])/[C:5](=[C:6](/[O:7][H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h2-3,5H,1H3/b3-2+",59.142540000000004,2.2460299999999997,ketoenol
9306,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([O:4][C:6](=[O:7])[H:13])=[C:5]([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-4(6-2)7-3-5/h3H,1H2,2H3",53.885169999999995,21.662860000000002,ketoenol
9307,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:9])([H:11])[H:12])([N:7]=[C:6]=[C:3]1[C:4]([H:13])([H:14])[O:5]1)([H:8])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-2-6-3-5-4-7-5/h2,4H2,1H3",109.86731,45.99007,
9308,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O+:5]=[C:4]([H:13])[H:14])=[C:6]=[N-:7])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-3-5(4-6)7-2/h2-3H2,1H3",59.58177,43.13555,
9309,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:6]([C@:3]2([C:2]([H:8])([H:11])[H:12])[C:4]([H:13])([H:14])[O:5]2)=[N:7]1,"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-5(3-7-5)4-2-6-4/h2-3H2,1H3/t5-/m0/s1",106.97986000000002,37.43533,
9310,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:5])[C:6]1=[N:7][C:4]1([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-2-5(7)4-3-6-4/h2-3H2,1H3",69.2408,16.2883,
9311,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4]([O:5][H:12])([H:13])[H:14])[C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-2-5(3-6)4-7/h2,7H,4H2,1H3/b5-2+",62.654030000000006,-13.4403,
9312,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([N+:7]#[C-:6])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-3-5(6-2)4-7-5/h3-4H2,1H3/t5-/m0/s1",56.07521,18.68593,
9313,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]([H:11])[H:12])[C:6]#[N:7])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:13])[H:14],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C4H5N.CH2O/c1-4(2)3-5;1-2/h1H2,2H3;1H2",91.52419,4.1683900000000005,
9314,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C:3]1(=[C:6]=[N:7][H:8])[C:4]([H:13])([H:14])[O:5]1,"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C3H3NO.C2H4/c4-1-3-2-5-3;1-2/h4H,2H2;1-2H2",78.72889,66.08808,Retroene
9315,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][C:4]([O:5][C:6]#[N:7])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-2-3-4-7-5-6/h2,4H2,1H3",90.09166,72.32163,
9316,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:6]#[N:7])([H:13])[H:14])=[O:5])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-2-5(7)3-4-6/h2-3H2,1H3",76.72299,-25.159270000000003,
9317,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4][H:13])([O:5][H:14])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-3-5(2,7)4-6/h2,7H,3H2,1H3/t5-/m1/s1",73.33702,68.92791,
9318,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O+:5]=[C-:4][H:14])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-3-5(4-6)7-2/h2,5H,3H2,1H3/t5-/m1/s1",83.62373000000001,51.14192,
9319,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4](=[O:5])[H:14])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-2-5(3-6)4-7/h4-5H,2H2,1H3/t5-/m1/s1",63.620830000000005,-18.96781,
9320,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:5][C:4]([C:3](=[C:2]([H:11])[H:12])[C:6]#[N:7])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-5(3-6)4-7-2/h1,4H2,2H3",103.9686,0.77045,
9321,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C@:3]12([C:4]([H:13])([H:14])[O:5]1)[C:6]([H:8])=[N:7]2,"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C3H3NO.C2H4/c1-3(4-1)2-5-3;1-2/h1H,2H2;1-2H2/t3-;/m0./s1",103.26214,71.75004,
9322,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:4]([O+:5]=[C:3]=[C:6]=[N-:7])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-2-4-7-5-3-6/h2,4H2,1H3",102.1599,40.0772,
9323,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([n:2]1[c+:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c-:6][n:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h4,6H,1-2H3",77.95167,52.25439,
9324,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C+:3]([H:11])[C:4](=[C:5]([H:13])[H:14])[C-:6]([H:15])[N:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4,6H,1H2,2H3",130.97826,77.69192,
9325,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:11])[C@@:4]([C:5]([H:12])([H:13])[H:14])([H:8])[C:6]([H:15])=[N:7]1)([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-5H,2H2,1H3/t5-/m1/s1",109.32982,61.2043,
9326,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:11])[C-:3]=[C:4]([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3,7H,1-2H3",84.94001999999999,72.61916,
9327,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C@@:3]([C:5]([H:12])([H:13])[H:14])([H:11])[C+:4]=[C:6]([H:15])[N-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-6-7(5)2/h4-5H,1-2H3/t5-/m1/s1",92.66806,77.45107,
9328,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C@@:4]([C:5]([H:12])([H:13])[H:14])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5(3-6)4-7-2/h4-5H,1-2H3/b7-4+/t5-/m0/s1",96.3952,6.67238,
9329,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:2]([C:3](=[C:4]=[C:6]([C:5]([H:12])([H:13])[H:14])[H:15])[H:11])=[N-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-3-4-5-7(2)6/h3,5H,1-2H3",100.44633,83.80142,
9330,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])[C:4](=[C:5]([H:13])[H:14])[C:6]([H:15])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3H,1,4H2,2H3",99.77188000000001,29.17833,
9331,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[N+:2]1[C:3]([H:11])=[C:4]([C:5]([H:12])([H:13])[H:14])[C:6]([H:8])([H:15])[N-:7]1)([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h4H,2-3H2,1H3",107.49006999999999,49.63655,
9332,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C+:4][C@:6]([C:5]([H:12])([H:13])[H:14])([H:15])[N-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h4-5H,1-2H3/t5-/m1/s1",100.486,81.14631999999999,
9333,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N-:2][N+:7]#[C:6][H:15])([H:8])([H:9])[H:10].[C:3](#[C:4][C:5]([H:12])([H:13])[H:14])[H:11],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C3H4.C2H4N2/c1-3-2;1-3-4-2/h1H,2H3;1H,2H3",119.12193,100.70048,
9334,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C@:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])=[N:7]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5(3-6-2)4-7-5/h3-4H,1-2H3/b6-3+/t5-/m1/s1",91.13013000000001,44.71033,
9335,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:2]([C@:3]1([H:11])[C:4]([C:5]([H:12])([H:13])[H:14])=[C:6]1[H:15])=[N-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-4-3-5(4)7(2)6/h3,5H,1-2H3/t5-/m0/s1",147.56077,92.83054,
9336,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[N+:2]1[C:3]([H:8])([H:11])[C:4]([C:5]([H:12])([H:13])[H:14])=[C:6]([H:15])[N-:7]1)([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3H,2,4H2,1H3",101.07695,47.2107,
9337,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:12])[C-:3]([H:11])[C:4](=[C:5]([H:13])[H:14])[C:6]([H:15])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4,7H,1H2,2H3",130.98377,78.58601999999999,
9338,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C-:1]([N+:2]1([H:8])[C:3]([H:11])=[C:4]([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])=[N:7]1)([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4,7H,2H2,1H3",100.13302,97.46512,
9339,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C@@:3]2([H:11])[C:4]([C:5]([H:12])([H:13])[H:14])=[C:6]([H:15])[N:7]12)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-4-3-7-5(4)6(7)2/h3,5H,1-2H3/t5-,6?,7?/m1/s1",115.84366999999999,86.1309,
9340,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]=[C:6]([H:15])[N:7]1[C:5]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-6-4-3-5-7(6)2/h4-5H,1-2H3",119.41068,71.85707,
9341,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C@:3]1([H:11])[N:2]=[N:7][C:6]([H:15])=[C:4]1[C:5]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h3,5H,1-2H3/t5-/m0/s1",66.78461999999999,21.727439999999998,
9342,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[N:7]/[C:6](=[C:4]=[C:3]([C:5]([H:12])([H:13])[H:14])[H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-3-4-5-7-6-2/h3,5H,1-2H3/b7-6+",92.67299999999999,59.503769999999996,
9343,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]([C:4]([C:5]([H:12])([H:13])[H:14])=[C:6]=[N:7][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5(3-6)4-7-2/h4,6H,1-2H3",96.43774,24.99288,
9344,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]([C:7][H:16])([H:12])[C:5]([H:13])([H:14])[C@@:6]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-4-3-5-6(4)7(5)2/h1,4-6H,3H2,2H3/t4-,5-,6+,7?/m1/s1",90.20235,69.54531,
9345,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:6](\[C:5]([C:4]1([H:12])[C:3]([H:11])=[C:7]1[H:16])([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-5-4-6-2-3-6/h2-3,5-6H,4H2,1H3/b7-5-",88.82762,1.7897,
9346,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]2[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])[H:10].[H:9][H:11],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H7N.H2/c1-7-4-2-3-5(4)6(3)7;/h3-5H,1-2H2;1H/t3-,4+,5-;/m0./s1",102.13813,73.77069,
9347,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]([C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:14])=[C:6]([H:15])[C@@:7]12[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-6-4-2-3-5(4)6/h2-7H,1H3/t4-,5+,6-",70.96082,1.38131,
9348,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N+:2]12[C@@:3]3([H:11])[C@@:4]([H:12])([C:5]1([H:13])[H:14])[C@@:7]3([H:16])[C-:6]2[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-2-4-5(3-7)6(4)7/h2,4-6H,3H2,1H3/t4-,5+,6-,7?/m1/s1",106.71426000000001,64.29093,
9349,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])=[C:7]1[H:16])([H:9])[H:11])([H:8])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-5-6-3-2-4-6/h2-3,6H,1,4-5H2/t6-/m1/s1",93.24758,-20.463,
9350,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:7]2[C:4]([H:12])([H:16])[C:5]([H:13])([H:14])[C@@:6]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-4-5-2-3-6(5)7/h4,6H,2-3H2,1H3/t6-/m1/s1",56.43026999999999,9.74995,
9351,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@@:3]2([H:11])[C:4][C:5]([H:13])([H:14])[C@:6]1([H:15])[C:7]2([H:12])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h5-6H,2,4H2,1H3/t5-,6+/m1/s1",59.94611,45.7363,
9352,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@:6]2([H:15])[C:5]([H:13])([H:14])[C:4]([H:12])=[C:3]([H:11])[C@:7]12[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-5-3-2-4-6(5)7/h2-3,5-6H,4H2,1H3/t5-,6+,7?/m0/s1",68.84874,-31.147440000000003,
9353,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])[C@@:7]2([H:16])[C:4][C:5]([H:13])([H:14])[C@@:6]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-4-5-2-3-6(5)7/h5-6H,3-4H2,1H3/t5-,6-/m1/s1",56.580090000000006,55.33962,
9354,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]([H:12])[C@@:7]2([H:16])[C:5]([H:13])([H:14])[C@@:6]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-3-2-5-4-6(5)7/h2-3,5-6H,4H2,1H3/t5-,6+/m0/s1",80.01827,-34.53779,
9355,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N+:2]1=[C:6]([H:15])[C:7]([C:4](=[C:5]([H:13])[H:14])[H:12])([H:16])[C-:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-3-6-4-7(2)5-6/h3-6H,1H2,2H3",44.74214,20.10792,
9356,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:16])[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C-:7]23)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H8N/c1-7-4-2-3-5(4)6(3)7/h3-4,6H,2H2,1H3/q-1/p+1/t3-,4+,6-/m0/s1",90.78165,58.280190000000005,
9357,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@@:3]2([H:11])[C@:4]3([H:12])[C:5]([H:13])([H:14])[C@@:7]2([H:16])[C@:6]13[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-5-3-2-4(5)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6+",86.50589000000001,16.68279,
9358,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:11])[C@@:7]2([H:16])[C:4]([H:9])([H:12])[C:5]([H:13])([H:14])[C@@:6]12[H:15])([H:8])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-4-5-2-3-6(5)7/h4-6H,1-3H2/t5-,6-/m1/s1",70.4543,11.379389999999999,
9359,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])=[C:7]1[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-5-6-3-2-4-6/h2-3,5-6H,4H2,1H3/b7-5+/t6-/m1/s1",44.57743,-25.139960000000002,
9360,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]([C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6][C@@:7]12[H:16])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-6-4-2-3-5(4)6/h4-7H,2H2,1H3/t4-,5+,6-/m0/s1",68.20482,38.65274,
9361,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C:1](#[C:2][C:3]([C:4](=[O:5])[H:9])=[C:7]=[N:6][H:10])[H:8],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H","InChI=1S/C5H3NO/c1-2-5(3-6)4-7/h1,4,6H",55.6698,-4.47391,
9362,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C+:1]#[C:2][C:3]1=[C:7]([H:10])[N-:6][O:5][C:4]1([H:8])[H:9],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H","InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h3H,4H2",109.63851000000001,70.23715,
9363,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C+:1]#[C:2][C:3]1=[C:4]([H:9])[O:5][N-:6][C:7]1([H:8])[H:10],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H","InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h4H,3H2",131.84151,105.06433999999999,
9364,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C:1]1([H:8])=[C:4]([H:9])[O:5][N:6]=[C:7]([H:10])[C:3]#[C:2]1,"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H",InChI=1S/C5H3NO/c1-2-4-6-7-5-3-1/h3-5H,90.63845,62.06868000000001,
9365,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C:1]1([H:8])=[C:2]=[C:3]=[C:4]([H:9])[O:5][N:6]=[C:7]1[H:10],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H","InChI=1S/C5H3NO/c1-2-4-6-7-5-3-1/h2,4-5H",116.77712,74.92715,
9366,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C:1](#[C:2][C:4](=[C:3]=[C:7]([N:6]=[O:5])[H:10])[H:9])[H:8],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H","InChI=1S/C5H3NO/c1-2-3-4-5-6-7/h1,3,5H",88.24878000000001,58.46955,
9367,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C+:1]1([H:8])[C:2]2=[C:3]=[C:7]([H:10])[N-:6][O:5][C@:4]12[H:9],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H","InChI=1S/C5H3NO/c1-2-6-7-5-3-4(1)5/h2-3,5H/t5-/m1/s1",90.63029,93.5075,
9368,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C:1](#[C:2][C@:3]1([C:4](=[O:5])[H:9])[N:6]=[C:7]1[H:10])[H:8],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H","InChI=1S/C5H3NO/c1-2-5(4-7)3-6-5/h1,3-4H/t5-/m0/s1",60.89761,20.10217,ketoenol
9369,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C:1](#[C:2][C:3]#[C:4][H:9])[H:8].[O-:5][N+:6]#[C:7][H:10],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H",InChI=1S/C4H2.CHNO/c1-3-4-2;1-2-3/h1-2H;1H,95.66825,73.11613,
9370,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([N+:7]#[C-:6])([H:10])[C:5]1([H:11])[H:12],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c1-6-4-2-5(7)3-4/h4H,2-3H2",61.69491,21.86991,
9371,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]=[C:6]=[N:7][C:4]1([H:10])[C:3]([H:8])([H:9])[C:2][C:5]1([H:11])[H:12],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c7-4-6-5-2-1-3-5/h5H,2-3H2",143.29854,77.02149,
9372,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]([C:2]1=[C:5]([H:11])[C@@:4]([C:6]#[N:7])([H:10])[C:3]1([H:8])[H:9])[H:12],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h1,4,7H,2H2/t4-/m0/s1",79.10436,13.17182,ketoenol
9373,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]1[C@:2](/[C:5](=[C:4](/[C:6]#[N:7])[H:10])[H:12])([H:11])[C:3]1([H:8])[H:9],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c6-3-1-2-5-4-7-5/h1-2,5H,4H2/b2-1+/t5-/m0/s1",114.01191000000001,26.755390000000002,
9374,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]=[C:2]([C:3]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:8])[H:9])[N+:7]#[C-:6],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c1-3-4-5(7)6-2/h3H,1,4H2",107.11935,22.43927,
9375,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O-:1][N+:7]#[C:6][C:4]1([H:10])[C:3]([H:8])([H:9])[C:2][C:5]1([H:11])[H:12],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c7-6-4-5-2-1-3-5/h5H,2-3H2",171.83784,139.58987,
9376,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]=[C:2]=[C:6]=[N:7][C:4]1=[C:5]([H:10])[C:3]1([H:8])[H:9],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c7-4-3-6-5-1-2-5/h1H,2H2",85.0675,63.50115,
9377,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]=[C:2]([C:3]([C:5](=[C:4])[H:10])([H:8])[H:9])[C:6]#[N:7],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h2H,3H2",64.65276999999999,50.60303,Singlet_Carbene_Intra_Disproportionation
9378,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O+:1](=[C-:2][C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c1-2-3-4-7-5-6/h1H,3H2",100.2557,75.26898,
9379,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1](/[C:2](=[C:3](/[C:4]#[C:5][H:10])[H:9])[C:6]#[N:7])[H:8],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1,3,7H/b5-3+",62.087759999999996,2.20362,ketoenol
9380,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[N+:7]#[C-:6],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c1-3-4-5(7)6-2/h1H,4H2",41.56047,13.05349,
9381,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[C:3](=[C:4]=[C:5]([N+:7]#[C-:6])[H:10])([H:8])[H:9].[O+:1]#[C-:2],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C4H3N.CO/c1-3-4-5-2;1-2/h4H,1H2;",48.83814,14.808470000000002,
9382,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[o:1]1[c:2]([C:6]#[N:7])[c:3]([H:8])[c:4]([H:9])[c:5]1[H:10],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2",InChI=1S/C5H3NO/c6-4-5-2-1-3-7-5/h1-3H,54.33585,-36.79141,
9383,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]1[C@:2]([C:4]#[C:5][H:10])([C:6]#[N:7])[C:3]1([H:8])[H:9],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c1-2-5(3-6)4-7-5/h1H,4H2/t5-/m1/s1",99.70635,24.03075,
9384,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4](=[C:5])/[C:6]1=[N:7]\[H:10],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c1-3-2-4(7)5(3)6/h6H,2H2/b6-5+",86.26168,63.27725,
9385,[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[O:4][C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3H,1-2H3","InChI=1S/C4H7NO2/c1-4(6)7-3-5-2/h3H,1-2H3/b5-3+",41.49752,18.83396,ketoenol
9386,[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([O:4]/[C:3](=[N:2]/[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3H,1-2H3","InChI=1S/C4H7NO2/c1-4(6)5-3-7-2/h3H,1-2H3/b5-3+",75.00161999999999,17.056279999999997,ketoenol
9387,[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[O:4])[H:11])[H:13])([H:8])([H:9])[H:10].[C:5](=[O:6])=[C:7]([H:12])[H:14],"InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3H,1-2H3","InChI=1S/C2H5NO.C2H2O/c1-3-2-4;1-2-3/h2H,1H3,(H,3,4);1H2",76.87003,30.46235,
9388,[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:5](/[O:6][C:3](=[O:4])[H:11])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3H,1-2H3","InChI=1S/C4H7NO2/c1-4(5-2)7-3-6/h3H,1-2H3/b5-4+",40.15578,18.5714,ketoenol
9389,[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1](/[N:2]=[C:3](/[O:4][C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3H,1-2H3","InChI=1S/C3H7NO.CO/c1-4-3-5-2;1-2/h3H,1-2H3;/b4-3+;",111.56697,33.04302,
9390,[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([O:6]/[C:5](=[N:2]/[C:3](=[O:4])[H:11])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3H,1-2H3","InChI=1S/C4H7NO2/c1-4(7-2)5-3-6/h3H,1-2H3/b5-4+",73.86456,18.47144,ketoenol
9391,[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[O:4])([H:9])[H:10].[N:2](=[C:3]([H:8])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14],"InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3H,1-2H3","InChI=1S/C3H5NO.CH2O/c1-3(5)4-2;1-2/h2H2,1H3;1H2",121.07343999999999,43.9434,
9392,[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5]([O:6][H:13])=[C:7]([H:12])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3H,1-2H3","InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3,7H,1H2,2H3",63.82905,20.74485,ketoenol
9393,[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],[C-:3]#[O+:4].[C:1](/[N:2]=[C:5](/[O:6][H:11])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3H,1-2H3","InChI=1S/C3H7NO.CO/c1-3(5)4-2;1-2/h1-2H3,(H,4,5);",42.35463,17.99089,
9394,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O+:4]=[C-:5][N:6]([H:12])[C:7]1([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h4-6H,1-2H2/t4-/m1/s1",71.50765,29.24959,
9395,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[H:8][H:9].[O:1]=[C:2]1[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO2.H2/c6-4-1-5-3-7-2-4;/h3H,1-2H2;1H",89.18692,17.32922,
9396,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C@:5]1([H:12])[O:4][C:3]([H:10])([H:11])[C@:2]2([H:9])[N:6]1[C:7]2([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-5-1-3(5)2-7-4/h3-4,6H,1-2H2/t3-,4-,5?/m1/s1",89.08246,15.2174,
9397,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C@@:2]1([C:3]([H:9])([H:10])[H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4(6)2-5-3-7-4/h3,6H,2H2,1H3/t4-/m0/s1",67.14695,-12.48503,
9398,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C:2][C:3]([O:4]/[C:5](=[N:6]\[C:7]([H:9])([H:13])[H:14])[H:12])([H:10])[H:11])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-5-4-7-3-2-6/h4,6H,3H2,1H3/b5-4-",81.14090999999999,66.81664,
9399,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]=[C:2]([C:7](/[N:6]=[C:5](\[O:4][C:3]([H:8])([H:10])[H:11])[H:12])([H:13])[H:14])[H:9],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-7-4-5-2-3-6/h3-4H,2H2,1H3/b5-4-",90.80369,17.48943,
9400,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C@@:2]([C:3]([O:4][H:14])([H:10])[H:11])([C:7](=[N+:6]=[C-:5][H:12])[H:13])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-5-2-4(7)3-6/h1-2,4,6-7H,3H2/t4-/m1/s1",83.65584,49.904340000000005,
9401,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]=[C:2]([C:3]([O:4]/[C:5](=[N:6]\[C:7]([H:8])([H:13])[H:14])[H:12])([H:10])[H:11])[H:9],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-5-4-7-3-2-6/h2,4H,3H2,1H3/b5-4-",87.89765,18.6091,
9402,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]=[C:2]([C:3]([O:4][C:5]([N:6]=[C:7]([H:13])[H:14])([H:8])[H:12])([H:10])[H:11])[H:9],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-5-4-7-3-2-6/h2H,1,3-4H2",70.89509,22.75646,
9403,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[C:5](#[N:6])[H:12].[O:1]([C@@:2]1([C:7]([H:9])([H:13])[H:14])[C:3]([H:10])([H:11])[O:4]1)[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C3H6O2.CHN/c1-3(4)2-5-3;1-2/h4H,2H2,1H3;1H/t3-;/m1./s1",103.87224,23.52811,
9404,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:6]([C:5](=[O:4])[H:12])[C:7]1([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2",77.77293,5.10798,ketoenol
9405,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O+:4]=[C:5]([H:12])[N:6]([H:14])[C-:7]1[H:13])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h1,3-6H,2H2/t4-/m1/s1",73.37643,43.01031,
9406,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C@@:2]([C:3](=[O:4])[H:11])([C:7]([N:6]=[C:5]([H:10])[H:12])([H:13])[H:14])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-5-2-4(7)3-6/h3-4,7H,1-2H2/t4-/m1/s1",83.08436,12.90732,
9407,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C:3]([O:4]/[C:5](=[N:6]\[C:7]([C:2][H:9])([H:13])[H:14])[H:12])([H:10])[H:11])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-2-5-3-7-4-6/h1,3,6H,2,4H2/b5-3-",124.20191000000001,95.06563,
9408,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[C:2]1([H:9])=[C:3]([H:10])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14].[O:1]([H:8])[H:11],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO.H2O/c1-2-5-4-6-3-1;/h1,3-4H,2H2;1H2",70.00972,9.77699,"1,3_Insertion_ROR"
9409,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C:2]([C:7](/[N:6]=[C:5](\[O+:4]=[C-:3][H:10])[H:12])([H:13])[H:14])([H:9])[H:11])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-7-4-5-2-3-6/h1,4,6H,2-3H2/b5-4-",90.61161,78.69176,
9410,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:8].[O:4]=[C:5]([N:6]=[C:7]([H:13])[H:14])[H:12],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C2H3NO.C2H4O/c1-3-2-4;1-2-3/h2H,1H2;2-3H,1H2",52.16963,24.83705,
9411,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[C:2]1([H:9])=[C:7]([H:13])[N:6]=[C:5]([H:12])[O:4][C:3]1([H:10])[H:11].[O:1]([H:8])[H:14],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO.H2O/c1-2-5-4-6-3-1;/h1-2,4H,3H2;1H2",67.24158,10.67677,"1,3_Insertion_ROR"
9412,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C@@:2]1([H:9])[C-:3]([H:10])[O+:4]=[C:5]([H:12])[N:6]([H:11])[C:7]1([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h2-6H,1H2/t4-/m1/s1",72.06751,54.779990000000005,
9413,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C@@:5]1([N:6]=[C:7]([H:13])[H:14])[H:12])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-5-4-3(6)2-7-4/h3-4,6H,1-2H2/t3-,4-/m0/s1",100.2817,31.14205,
9414,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:7]([N+:6]#[C-:5])([H:13])[H:14])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-5-2-4(7)3-6/h4,6-7H,2-3H2/t4-/m1/s1",67.82479000000001,16.640320000000003,
9415,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]1[C@@:2]([C:7](/[N:6]=[C:5](\[O:4][H:8])[H:12])([H:13])[H:14])([H:9])[C:3]1([H:10])[H:11],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c6-3-5-1-4-2-7-4/h3-4H,1-2H2,(H,5,6)/t4-/m1/s1",74.4042,18.97534,
9416,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C@@:2]1([C:3]([H:9])([H:10])[H:11])[N:6]([C:5](=[O:4])[H:12])[C:7]1([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4(7)2-5(4)3-6/h3,7H,2H2,1H3/t4-,5?/m1/s1",67.16695,6.820819999999999,
9417,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[H:12][H:14].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C-:5]=[N+:6]=[C:7]1[H:13])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO2.H2/c6-4-1-5-3-7-2-4;/h1,4,6H,2H2;1H/t4-;/m1./s1",108.10758999999999,79.11017,
9418,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C:2][C:7](/[N:6]=[C:5](\[O:4][C:3]([H:9])([H:10])[H:11])[H:12])([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-7-4-5-2-3-6/h4,6H,2H2,1H3/b5-4-",85.72739,63.023880000000005,
9419,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]1[C@:2]([C:3]([O:4][H:8])([H:10])[H:11])([H:9])[C:7]([H:13])([H:14])[N:6]=[C:5]1[H:12],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c6-2-4-1-5-3-7-4/h3-4,6H,1-2H2/t4-/m1/s1",72.02353000000001,-1.4350100000000001,
9420,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[H:13][H:14].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N+:6]=[C-:7]1)[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO2.H2/c6-4-1-5-3-7-2-4;/h3-4,6H,2H2;1H/t4-;/m1./s1",93.18913,84.69830999999999,
9421,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[C:3]([H:10])[H:11].[O:1]([C@@:2]1([H:9])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C3H5NO2.CH2/c5-3-1-4-2-6-3;/h2-3,5H,1H2;1H2/t3-;/m0./s1",116.45158,104.85086,
9422,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6][C:7]([H:17])([H:18])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-6(3)7-5-2/h6H,5H2,1-3H3/t6-/m0/s1",68.11384,62.133430000000004,
9423,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:14])([H:8])([H:9])[H:10].[O:3]=[C:4](/[C:5](=[C:6](\[C:7]([H:17])([H:18])[H:19])[H:16])[H:15])[H:13],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H6O.C2H6/c1-2-3-4-5;1-2/h2-4H,1H3;1-2H3/b3-2-;",93.98111999999999,-5.66265,
9424,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:5]([C@:6]([C:4][H:13])([C:7]([H:17])([H:18])[H:19])[H:16])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-7-5-6(2)3/h2,6H,4-5H2,1,3H3/t6-/m1/s1",95.71101,77.58792,
9425,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]1([H:13])=[C:5]([H:14])[C:6]1([C:7]([H:17])([H:18])[H:19])[H:16],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H6.C2H6O/c1-4-2-3-4;1-2-3/h2-4H,1H3;3H,2H2,1H3",81.10858,39.73673,
9426,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O+:3]=[C-:4][C:5]([C:6]([C:7]([H:17])([H:18])[H:19])([H:13])[H:16])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-5-6-7-4-2/h3-5H2,1-2H3",55.96491999999999,31.56508,
9427,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:12])([H:8])([H:9])[H:10].[C:4]1([H:13])=[C:6]([H:16])[C:5]1([H:14])[H:15].[C:7]([H:11])([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C3H4.C2H4O.CH4/c1-2-3-1;1-2-3;/h1-2H,3H2;2H,1H3;1H4",121.53393999999999,45.60946,
9428,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:19])([H:11])[H:12])([H:8])([H:9])[H:10].[C@@:4]12([H:13])[C:5]([H:14])([H:15])[C@:6]1([H:16])[C:7]2([H:17])[H:18],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H6.C2H6O/c1-3-2-4(1)3;1-2-3/h3-4H,1-2H2;3H,2H2,1H3/t3-,4+;",107.01352,32.45037,
9429,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4]([C:5]([C:6][C:7]([H:17])([H:18])[H:19])([H:14])[H:15])([H:13])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4-6H2,1-2H3",69.12185,63.509269999999994,
9430,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[H:8][H:13].[O:3]=[C:4]1[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H6O.C2H4.H2/c1-3-2-4(3)5;1-2;/h3H,2H2,1H3;1-2H2;1H/t3-;;/m1../s1",84.10199,44.97015,
9431,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1)([H:11])[H:12])([H:8])([H:9])[H:10].[C:7]([H:16])([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-2-6-5-3-4-5;/h5H,2-3H2,1H3;1H4/t5-;/m0./s1",99.50482,92.70963,
9432,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:12])([H:9])[H:10].[H:8][H:11],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-3-7-6-4-5(6)2;/h3,5-6H,1,4H2,2H3;1H/t5-,6+;/m1./s1",108.37892,28.391059999999996,
9433,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O+:3][C:4]([C@@:6]([C-:5]([H:14])[H:15])([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,2,5H2,1,3H3/t6-/m0/s1",105.41576,89.83918,
9434,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:14])[H:15])([C:6]([C:7]([H:17])([H:18])[H:19])([H:11])[H:16])[H:13],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3/h3H,1,4H2,2H3;2H,1H3",77.47709,-3.6529300000000005,
9435,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2]([O+:3]=[C:4]1[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12].[C:1]([H:8])([H:9])([H:10])[H:13],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-4-3-5(4)6-2;/h4H,2-3H2,1H3;1H4/t4-;/m1./s1",98.91814000000001,85.09147,
9436,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:10])([H:11])[H:12])([C:5]([C@:6]([C:4](=[O:3])[H:13])([C:7]([H:17])([H:18])[H:19])[H:16])([H:14])[H:15])([H:8])[H:9],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3/t6-/m1/s1",95.4055,-23.65331,
9437,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1=[C:7]([H:17])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10].[H:16][H:18],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-3-7-6-4-5(6)2;/h6H,2-4H2,1H3;1H/t6-;/m0./s1",120.60874,40.80188,
9438,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4](=[C:5]([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[C:7]([H:17])[H:19])([H:16])[H:18],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H8O.C2H4/c1-3-5-4-2;1-2/h3H,1,4H2,2H3;1-2H2",96.35834,16.77156,
9439,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:6]([C@@:4]1([H:13])[O:3][C:5]1([H:14])[H:15])([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-5(2)6-4-7-6/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1",124.42456999999999,-1.70628,
9440,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4]1([H:13])[C:5]([H:15])=[C:6]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[C:7]([H:14])([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-2-6-5-3-4-5;/h3-5H,2H2,1H3;1H4",118.05523000000001,39.58333,
9441,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[N:1]#[C:2][C@@:3]1([H:8])[O:4][C:5]([H:10])([H:11])[C:6][N:7]1[H:9],InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,"InChI=1S/C4H4N2O/c5-3-4-6-1-2-7-4/h4,6H,2H2/t4-/m1/s1",75.11849000000001,34.57741,
9442,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[N+:1](#[C-:2])[C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,InChI=1S/C4H4N2O/c1-6-4-7-3-2-5/h3-4H2,52.87818000000001,18.87151,
9443,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[C:5]1([H:10])([H:11])[C:6]([H:9])=[N:7]1.[N:1]#[C:2][C:3](=[O:4])[H:8],InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,"InChI=1S/C2HNO.C2H3N/c3-1-2-4;1-2-3-1/h2H;1H,2H2",88.89545,49.77857,
9444,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[H:9][H:10].[N:1]#[C:2][C:3](=[O+:4][C:5](=[C:6]=[N-:7])[H:11])[H:8],InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,InChI=1S/C4H2N2O.H2/c5-1-3-7-4-2-6;/h3-4H;1H,82.49816,71.85977,
9445,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[N:1](=[C:2]=[C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])[H:8])[H:9],InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,"InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3,5H,4H2",92.75166999999999,27.29757,
9446,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[N:1]1[C@:2]23[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[C@:6]12[N:7]3,InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,"InChI=1S/C4H4N2O/c1-3-4(5-3,6-3)2-7-1/h1-2H2/t3-,4+",99.3467,94.88507,
9447,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([c:2]1[n:3]([H:9])[c:4]([O-:5])[c:6]([H:10])[n+:7]1[H:11])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)",49.23048,19.706570000000003,
9448,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([C-:2]=[N+:3]=[C:4]([O:5][H:9])/[C:6](=[N:7]\[H:11])[H:10])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c4-1-3(7)5-2-6/h1,4,6-7H/b4-1-",77.36874,61.0061,
9449,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2](/[N:3]=[C:4]([O:5][H:9])\[C:6](=[N:7]\[H:11])[H:10])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c4-1-3(7)5-2-6/h1-2,4H,(H,5,6,7)/b4-1+",77.55625,20.99151,
9450,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([C:2]1=[N:3][C:4](=[O:5])[C:6]([H:9])([H:10])[N:7]1[H:11])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)",59.19307,-8.15736,ketoenol
9451,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([C:2]([N:3]=[C:4]=[C:6]([O:5][H:9])[H:10])=[N:7][H:11])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c4-3(7)5-1-2-6/h2,6H,(H2,4,7)",98.8979,46.51285,
9452,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([C:2]1=[N:7][C:6]([H:10])([H:11])[C:4]([O:5][H:9])=[N:3]1)[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)",44.715509999999995,2.0499099999999997,
9453,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([C@@:2]1([H:11])[N:3]=[C:4]([O:5][H:9])[C:6]([H:10])=[N:7]1)[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,3,7H,(H,5,6)/t3-/m1/s1",50.13073,18.33665,
9454,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]1[N:3]=[C:4]([O:5][H:9])[C:6]([H:8])([H:10])[N:7]1[H:11],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)",95.6038,-10.072460000000001,
9455,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([C-:2]=[N+:7]([C@@:6]1([H:10])[N:3]=[C:4]1[O:5][H:9])[H:11])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-1-4-2-3(7)5-2/h2,4,6H,(H,5,7)/t2-/m0/s1",119.93173,75.95571,
9456,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([C:2]1=[N:3][C:4]([O:5][H:9])=[C-:6][N+:7]1([H:10])[H:11])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h6H,4H2,(H,5,7)",92.58596999999999,86.02713,
9457,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([C:2]1=[N:3][C@@:4]([O:5][H:9])([H:10])[C-:6]=[N+:7]1[H:11])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h2,4,6H,(H,5,7)/t2-/m1/s1",60.278969999999994,53.31716,Singlet_Carbene_Intra_Disproportionation
9458,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([C+:2]1[N+:3](=[C-:4][O:5][H:9])[C-:6]([H:10])[N:7]1[H:11])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-2-5-1-4-3(5)7/h1,4,6-7H",130.33239,114.57748000000001,
9460,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[c:2]1[n:3]([H:8])[c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)",43.31235,-3.28031,ketoenol
9461,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[H:8][H:9].[O:1]=[C:2]1[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H4O3.H2/c5-2-7-4-1-3(4)6;/h2,4H,1H2;1H/t4-;/m1./s1",93.99789,33.10499,
9462,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]=[C:2]([C:3]([C@@:4]1([H:12])[O:5][C@:6]1([O:7][H:8])[H:13])([H:10])[H:11])[H:9],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-2-1-3-4(6)7-3/h2-4,6H,1H2/t3-,4-/m1/s1",43.91491,7.809489999999999,
9463,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[C:6](=[O:7])([H:12])[H:13].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]1=[O:5])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C3H4O2.CH2O/c4-2-1-3(2)5;1-2/h2,4H,1H2;1H2/t2-;/m0./s1",78.64478000000001,41.70664,
9464,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C@@:2]([C:3]([H:10])([H:11])[H:12])([C-:4]=[O+:5][C:6](=[O:7])[H:13])[H:9])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c1-4(6)2-7-3-5/h3-4,6H,1H3/t4-/m0/s1",65.41664,48.49295,
9465,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C:2][C@@:4]([C:3]([H:9])([H:10])[H:11])([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c1-4(2-5)7-3-6/h3-5H,1H3/t4-/m1/s1",59.09803,30.97653,
9466,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C@@:2]([C:4](=[C:3]([H:10])[H:11])[H:12])([O:7][C:6](=[O:5])[H:13])[H:9])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c1-2-4(6)7-3-5/h2-4,6H,1H2/t4-/m1/s1",47.68387,-11.20453,
9467,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]=[C:2]([C:4](=[C:3]([H:10])[H:11])[H:12])[H:9].[O:5]=[C:6]([O:7][H:8])[H:13],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C3H4O.CH2O2/c1-2-3-4;2-1-3/h2-3H,1H2;1H,(H,2,3)",33.045770000000005,-5.728,
9468,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[C-:6]#[O+:7].[O:1]([C:2]([C:3]([C:4](=[O:5])[H:12])([H:10])[H:11])([H:9])[H:13])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C3H6O2.CO/c4-2-1-3-5;1-2/h2,5H,1,3H2;",62.032169999999994,-6.35653,
9469,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]=[C:2]1[C:3]([H:10])([H:11])[C:4]1([H:9])[H:12].[O:5]=[C:6]([O:7][H:8])[H:13],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C3H4O.CH2O2/c4-3-1-2-3;2-1-3/h1-2H2;1H,(H,2,3)",67.89121999999999,9.99367,
9470,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]1[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@@:4]12[H:12].[O:5]=[C:6]([O:7][H:8])[H:13],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C3H4O.CH2O2/c1-2-3(1)4-2;2-1-3/h2-3H,1H2;1H,(H,2,3)/t2-,3+;",74.54290999999999,47.73421,
9471,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[C:6](=[O:7])([H:8])[H:13].[O:1]=[C:2]([C:3]([C:4](=[O:5])[H:12])([H:10])[H:11])[H:9],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C3H4O2.CH2O/c4-2-1-3-5;1-2/h2-3H,1H2;1H2",66.99555,13.444420000000001,
9472,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[C:2]1([H:9])=[C:3]([H:10])[C:4]1([O:5][C:6](=[O:7])[H:13])[H:12].[O:1]([H:8])[H:11],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1",InChI=1S/C4H4O2.H2O/c5-3-6-4-1-2-4;/h1-4H;1H2,70.60321,30.360229999999998,
9473,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:7][C:6]([H:13])=[O+:5][C-:4]1[H:12])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-4-1-6-3-7-2-4/h1,3-5H,2H2/t4-/m1/s1",75.92539000000001,55.205259999999996,
9474,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C:2][C:3]([C:4]([O:5][C:6](=[O:7])[H:13])([H:9])[H:12])([H:10])[H:11])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-2-1-3-7-4-6/h4-5H,1,3H2",57.451440000000005,34.85868,
9475,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[C-:6]#[O+:7].[O:1]([C@@:2]([C:3]([H:10])([H:11])[H:13])([C:4](=[O:5])[H:12])[H:9])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C3H6O2.CO/c1-3(5)2-4;1-2/h2-3,5H,1H3;/t3-;/m0./s1",57.011,-12.45053,
9476,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[C:3](=[C:4]([O:5][C:6](=[O:7])[H:13])[H:12])([H:10])[H:11].[O:1]([C:2][H:9])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C3H4O2.CH2O/c1-2-5-3-4;1-2/h2-3H,1H2;1-2H",67.53685,63.31494,
9477,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]=[C:2]([C:3]([C:4]([O:5][C:6](=[O:7])[H:13])([H:8])[H:12])([H:10])[H:11])[H:9],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-2-1-3-7-4-6/h2,4H,1,3H2",53.24637,-17.49534,
9478,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]1[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@@:4]2([H:12])[O:5][C@@:6]1([O:7][H:8])[H:13],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-4-6-2-1-3(2)7-4/h2-5H,1H2/t2-,3+,4+",48.41664,9.352960000000001,
9479,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C-:4]([H:12])[O+:5]=[C:6]([H:13])[O:7]1)[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-4-1-2-6-3-7-4/h2-5H,1H2/t4-/m1/s1",70.55221999999999,50.58136,
9480,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[C-:6]#[O+:7].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][H:13])[H:12])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C3H6O2.CO/c4-2-1-3(2)5;1-2/h2-5H,1H2;/t2-,3+;",68.27176999999999,9.50806,"1,2_Insertion_CO"
9481,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C:6]([O:5][C@@:4]1([H:12])[C:2][C:3]1([H:10])[H:11])([O:7][H:9])[H:13])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-4(6)7-3-1-2-3/h3-6H,1H2/t3-/m1/s1",94.19608000000001,84.20234,
9482,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O+:5]=[C-:6][O:7][H:13])[H:12])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h3-6H,1H2/t3-,4+/m0/s1",76.99598,44.27299,
9483,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C:2]1([H:9])[C:3]([H:10])=[C:4]1[H:12])[H:8].[O:5]=[C:6]([O:7][H:11])[H:13],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C3H4O.CH2O2/c4-3-1-2-3;2-1-3/h1-4H;1H,(H,2,3)",59.1616,31.98269,Retroene
9484,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C:2]([C:3]([C-:4]=[O+:5][C:6](=[O:7])[H:13])([H:10])[H:11])([H:9])[H:12])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-2-1-3-7-4-6/h4-5H,1-2H2",61.41893,45.62754,
9485,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[N:2]([H:11])[C@:3]12[N-:4][N+:5]([H:8])([H:12])[C:6]([H:13])=[C:7]2[H:14],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-2-6-7-4(1)3-5-4/h1-2,5H,3,6H2/t4-/m1/s1",119.80675,90.06985,
9486,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:7](=[C:3]=[N:4][N:5]([C:6][H:13])[H:12])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-3-4-7-6-2/h2-3,5-6H,1H3",135.59999,101.50066,
9487,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C-:1]([N:2]([C:3]1=[N:4][N+:5]([H:12])=[C:6]([H:13])[C:7]1([H:8])[H:14])[H:11])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H6N3/c1-5-4-2-3-6-7-4/h3H,1-2H2,(H,5,7)/q-1/p+1",76.89111,74.6438,
9488,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([c:3]1[n:4]([H:12])[n:5][c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)",45.77431,1.9319099999999998,
9489,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[C:7]=[C:6]([H:13])[N:5]([H:12])[N:4]1[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h3,5-7H,1H3",99.76262,59.7828,
9490,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]1[N-:4][N:5]([H:12])[C+:6]([H:13])[C:7]1([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h3,6H,2H2,1H3",87.62686,39.30046,
9491,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]#[N+:4][N-:5][H:12])[H:11])([H:8])([H:9])[H:10].[C:6](#[C:7][H:14])[H:13],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C2H5N3.C2H2/c1-4-2-5-3;1-2/h3-4H,1H3;1-2H",112.83153999999999,102.06855,
9492,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]([C:7](=[C:6](/[N:5]([N:4])[H:12])[H:13])\[H:14])/[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-6-3-2-4-7-5/h2-4,7H,1H3/b4-2-,6-3-",97.8097,75.30123,
9493,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[C+:7][C:6]([H:13])([H:14])[N:5]([H:12])[N-:4]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h5-6H,3H2,1H3",77.18191,78.03426999999999,Singlet_Carbene_Intra_Disproportionation
9494,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[N:4][C@:7]1(/[C:6](=[N:5]/[H:12])[H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-6-4-3(2-5)7-4/h2-3,5H,1H3,(H,6,7)/b5-2+/t3-/m0/s1",88.80091,34.52823,
9495,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[N:4][N+:5]([H:12])=[C-:6][C:7]1([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h6H,2H2,1H3,(H,5,7)",63.625519999999995,43.54862,Singlet_Carbene_Intra_Disproportionation
9496,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([n:4]1/[c:3](=[N:2]/[H:11])[c:7]([H:14])[c:6]([H:13])[n:5]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-7-4(5)2-3-6-7/h2-3,5-6H,1H3/b5-4+",91.35661999999999,18.004070000000002,
9497,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[C:7]([H:14])[C:6]([H:12])([H:13])[N:5]=[N:4]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2,5H,3H2,1H3",47.65085,24.16481,
9498,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:11])[C:3](=[C:7]([C:6](=[N:5][H:12])[H:13])[H:14])[N-:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-7-4(6-7)2-3-5/h2-3,5,7H,1H3",82.13219000000001,72.63939,
9499,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C-:1]([N+:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])([H:8])[H:11])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1,5H2,(H,6,7)",83.22989,69.74811,
9500,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]([C:3]1=[C:7]=[C:6]([H:13])[N:5]([H:12])[N-:4]1)([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H6N3/c1-5-4-2-3-6-7-4/h3,5-6H,1H3/q-1/p+1",80.49573000000001,71.42177,
9501,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C-:1]([N:2]([c:3]1[n:4]([H:8])[n:5]([H:12])[c+:6]([H:13])[c:7]1[H:14])[H:11])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3,5-7H,1H2",94.32778,79.04041,
9502,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[C:7]([H:14])[C@:6]2([H:13])[N:4]1[N:5]2[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-3-2-4-6-7(3)4/h2,4-6H,1H3/t4-,7?/m0/s1",97.30965,76.61307,
9503,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[N:4][N+:5]([H:12])([H:13])[C-:6]=[C:7]1[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2H,6H2,1H3,(H,5,7)",81.33085,64.85853,
9504,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[C:7]([H:14])[C@:6]1([N:5]([N:4])[H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-6-3-2-4(3)7-5/h2,4,6-7H,1H3/t4-/m1/s1",125.1531,93.54966999999999,
9505,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C-:3]=[O+:4][C:5]([O:6][H:12])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h3H,1H3,(H,5,6)/t3-/m1/s1",61.25524,56.07144,Singlet_Carbene_Intra_Disproportionation
9506,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:10])([H:11])[O:4][C:5]([O:6][H:12])=[N:7]1)([H:8])[H:9],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h1-2H2,(H,5,6)",88.79113000000001,9.73617,
9507,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][H:11])([H:8])([H:9])[H:10].[O:4]1[C:5]([O:6][H:12])=[N:7]1,"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C3H4.CHNO2/c1-3-2;3-1-2-4-1/h1H,2H3;(H,2,3)",125.40741000000001,116.69596000000001,
9508,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C-:3]([H:11])[O+:4]=[C:5]([O:6][H:12])[N:7]1[H:10])([H:8])[H:9],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2,5-6H,1H2",86.34583,60.46066,
9509,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2](/[N:7]=[C:5](\[O+:4]=[C-:3][H:11])[O:6][H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-5-4(6)7-2/h2-3H,1H2,(H,5,6)",105.75936999999999,89.42513000000001,
9510,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:7]=[C:2]=[C:3]([O+:4]=[C-:5][O:6][H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-5-2-3-7-4-6/h3,6H,1H3",139.35151000000002,81.73713000000001,
9511,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[O:4][H:12])[H:11])[N:7]=[C:5]=[O:6])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-4(2-6)5-3-7/h2,6H,1H3/b4-2-",63.1458,6.21068,
9512,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[O:4])/[N:7]=[C:5](/[O:6][H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-4(2-6)5-3-7/h3H,1H3,(H,5,7)",124.28421999999999,26.65703,
9513,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)",42.72513,-9.0581,ketoenol
9514,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]=[N:7][C:5](=[O:4])[O:6][H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-2-3-5-4(6)7/h2H,1H3,(H,6,7)",73.00559,16.1957,
9515,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[O:4]/[C:5]1=[N:7]\[O:6][H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-7-4(3)5-6/h2,6H,1H3/b5-4-",169.51152,79.22349,
9516,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2](=[N:7][C:5](=[O:4])[O:6][H:12])[C:3]1([H:10])[H:11],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c6-4(7)5-3-1-2-3/h1-2H2,(H,6,7)",76.59182,25.872989999999998,
9517,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]([n+:7]1[c-:2][c:3]([H:11])[o:4][c:5]1[O:6][H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-5-2-3-7-4(5)6/h3,6H,1H3",122.01711,60.823919999999994,
9518,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1]1([H:8])=[C:2]=[C:3]=[C:4]=[C:5]([H:9])[C:6]([H:10])([H:11])[O:7]1,"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-2-4-6-7-5-3-1/h3,6H,5H2",77.3097,44.93036,
9519,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1](#[C:2][C:3]#[C:4][C:5](=[O+:7][C-:6]([H:10])[H:11])[H:9])[H:8],"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-3-4-5-6-7-2/h1,6H,2H2",59.12113000000001,38.84178,
9520,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1](=[C:2]=[C:3]=[C:4]=[C:5]1[C:6]([H:10])([H:11])[O:7]1)([H:8])[H:9],"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,5H2",83.35758,12.94473,Intra_ene_reaction
9521,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C+:1](=[C:2]=[C-:3]/[C:4](=[C:5]1/[C:6]([H:10])([H:11])[O:7]1)[H:9])[H:8],"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,4H,5H2/b6-4-",74.87703,46.69944,
9522,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1]12([H:8])[C:2]3=[C:3]1[C:4]23[C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1,"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-2(7-1)6-3-4(6)5(3)6/h2-3H,1H2/t2-,3?,6?/m1/s1",88.94933,73.24898,
9523,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C-:1]#[C:2][C+:3]=[C:4]([C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h4,6H,5H2/t6-/m0/s1",105.7406,50.37911,
9524,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1](#[C:2][C:3](=[C:4]=[C:5]1[C:6]([H:10])([H:11])[O:7]1)[H:9])[H:8],"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,3H,5H2",89.50484,10.5428,
9525,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1]1([H:8])=[C:5]([H:9])[C:4]([O+:7]=[C:6]([H:10])[H:11])=[C:3]=[C-:2]1,"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-7-6-4-2-3-5-6/h2,4H,1H2",127.19138999999998,78.63622,
9526,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[C:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C+:5]([H:16])[C:6]1=[C-:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h1,5-7H,2-3H3/t5-,6+,7-","InChI=1S/C7H10/c1-5-4-6(2)7(5)3/h1,4,6-7H,2-3H3/t6-,7+/m0/s1",69.26359000000001,61.29962,
9527,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[C:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]1([H:16])[C:6]([H:10])=[C:7]1[H:17])[H:12])[H:11])([H:8])[H:9],"InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h1,5-7H,2-3H3/t5-,6+,7-","InChI=1S/C7H10/c1-3-6(2)7-4-5-7/h3-7H,1H2,2H3/t6-/m1/s1",84.38976,18.49343,
9528,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[C:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:5]([C:3]([C:4]([H:13])([H:14])[H:15])([H:11])[H:12])([C:6]#[C:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h1,5-7H,2-3H3/t5-,6+,7-","InChI=1S/C7H10/c1-4-7(5-2)6-3/h1,7H,5H2,2-3H3/t7-/m1/s1",70.6329,66.90241999999999,
9529,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[C:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@@:3]([C:4]([H:13])([H:14])[H:15])([H:12])/[C:5]1=[C:6](\[C:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h1,5-7H,2-3H3/t5-,6+,7-","InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h1,4-6H,2-3H3/b7-4-/t5-,6+/m1/s1",87.98583,67.952,
9530,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[C:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[C:4]([H:14])[H:15])[H:12])([C:5](=[C:6]=[C:7]([H:13])[H:17])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h1,5-7H,2-3H3/t5-,6+,7-","InChI=1S/C7H10/c1-4-6-7(3)5-2/h5-7H,1-2H2,3H3/t7-/m0/s1",40.52917,-3.15893,
9531,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[C:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:5](\[C:6]#[C:7][H:17])[H:16])[H:11])([H:8])([H:9])[H:10].[C:3](=[C:4]([H:13])[H:15])([H:12])[H:14],"InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h1,5-7H,2-3H3/t5-,6+,7-","InChI=1S/C5H6.C2H4/c1-3-5-4-2;1-2/h1,4-5H,2H3;1-2H2/b5-4-;",79.92754000000001,17.01278,
9532,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[C:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4]([H:13])([H:14])[H:15])([H:12])[H:16])([C-:5]=[C:6]=[C+:7][H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h1,5-7H,2-3H3/t5-,6+,7-","InChI=1S/C7H10/c1-4-6-7(3)5-2/h1,7H,5H2,2-3H3/t7-/m0/s1",64.96562,59.021209999999996,
9533,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[C:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1=[C:6]=[C:7]([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h1,5-7H,2-3H3/t5-,6+,7-","InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h5-6H,1H2,2-3H3/t5-,6+",90.16394,6.78712,
9534,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:5]([C:4]([O:3][C:2](=[O:7])[H:11])([H:12])[H:13])=[N:6]\[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c1-4(5)2-7-3-6/h3,5H,2H2,1H3/b5-4+",96.76904,-1.0871899999999999,
9535,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:5]2([C:4]([H:12])([H:13])[N:6]2[H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-6-4(7-3)2-5-4/h3,5H,2H2,1H3/t3-,4+",101.71284,39.981840000000005,
9536,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4](/[C:5](=[N:6]/[H:14])[H:11])([H:12])[H:13])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c1-4(6)7-3-2-5/h2,5H,3H2,1H3/b5-2+",79.05223000000001,-3.61655,
9537,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([O+:3]=[C-:4][H:13])([O:7]/[C:5](=[N:6]\[H:14])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c1-4(6-2)7-3-5/h2-5H,1H3/b5-3-/t4-/m0/s1",92.39506999999999,69.35292,
9538,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([O:3][C:4](/[C:5](=[N:6]/[H:14])[O+:7]=[C-:2][H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c1-6-3-4(5)7-2/h2,5H,3H2,1H3/b5-4-",127.31582,89.09593000000001,
9539,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([O:7][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c1-4(6)7-3-2-5/h4,6H,3H2,1H3/t4-/m1/s1",68.63241,7.7476199999999995,
9540,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([O:7]/[C:5]([C:4]([O+:3]=[C-:2][H:11])([H:12])[H:13])=[N:6]\[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c1-6-3-4(5)7-2/h1,5H,3H2,2H3/b5-4-",132.32259,80.68737,
9541,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C-:2]1=[O+:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1.[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C3H3NO2.CH4/c4-3-1-5-2-6-3;/h4H,1H2;1H4/b4-3-;",85.40321,41.7628,
9542,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:13])=[C:5]([N:6]([H:12])[H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h2-3H,5H2,1H3/t3-/m0/s1",75.12674,15.8463,
9543,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O+:3]=[C-:4]/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c1-3-6-2-4(5)7-3;/h3,5H,1H3;1H/b5-4-;/t3-;/m0./s1",86.44758,71.39479,
9544,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[O+:3][C-:4]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:5](=[N:6][H:14])=[O:7],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C3H6O.CHNO/c1-3-4-2;2-1-3/h3H,2H2,1H3;2H",70.62722,68.93185,
9545,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:12])([H:13])[C:5](=[O:7])[N:6]1[H:14],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C2H3NO.C2H4O/c4-2-1-3-2;1-2-3/h1H2,(H,3,4);2H,1H3",59.445730000000005,38.00825,
9546,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:7]1([H:17])[C@@:3]2([H:11])[O:2][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-4-2-3-5-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m1/s1",98.12394,-30.99292,
9547,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][C:7]1([H:17])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-7-5-6-3-2-4-6/h6H,2-4H2,1H3",56.87534,31.69847,
9548,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C:7]1)([H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-7-5-6-3-2-4-6/h6H,2-3,5H2,1H3/t6-/m0/s1",69.64139,64.78641,
9549,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([C:7][H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-5(7-2)6-3-4-6/h1,5-6H,3-4H2,2H3/t5-/m1/s1",71.91371,71.61301999999999,
9550,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]1[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])[H:9].[H:10][H:11],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H8O.H2/c1-7-6-4-2-3-5(4)6;/h4-5H,1-3H2;1H/t4-,5+;",92.38401,93.07822,
9551,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:8])[H:9].[C:3]1([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C:7]1([H:10])[H:17],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C5H8.CH2O/c1-2-4-5-3-1;1-2/h1-2H,3-5H2;1H2",52.225120000000004,-18.97441,
9552,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C@:4]([C:5]([C:6][H:15])([H:13])[H:14])([H:12])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-3-5-4-6(5)7-2/h1,5-6H,3-4H2,2H3/t5-,6+/m0/s1",84.75635,76.84795,
9553,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C:6]([C:5]([C:4]1([H:12])[C:3]([H:11])=[C:7]1[H:17])([H:13])[H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-7-5-4-6-2-3-6/h2-3,6H,4-5H2,1H3",98.39303000000001,20.748620000000003,
9554,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:17])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-7-6-4-2-3-5-6/h6H,2-4H2,1H3/t6-/m0/s1",62.89541,43.94105,
9555,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C@:4]([C:5]([H:13])([H:14])[H:15])([H:12])[C@:7]1([C:6][H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-4-5(2)6(4)7-3/h1,4-6H,2-3H3/t4-,5+,6-/m1/s1",81.58870999999999,63.04416,
9556,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]2[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1,3H,2,4-6H2",66.31869,-28.291320000000002,
9557,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5][C@:7]2([C:6]([H:14])([H:15])[H:16])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-6-2-3-7(6)4-5-7/h6H,3-5H2,1H3/t6-/m1/s1",66.23550999999999,61.433530000000005,
9558,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([C:6][H:15])([H:14])[C:7]2([H:16])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-6-4-7(5-6)2-3-7/h1,6H,2-5H2",65.89659,65.59355,
9559,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4]([C@@:5]1([H:14])[C:6]([H:15])([H:16])[C:7]1)([H:12])[H:13])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-6(1)5-7-3-4-7/h6-7H,1-3,5H2/t7-/m0/s1",79.51895999999999,66.39076999999999,
9560,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C+:2]([H:10])[C@:3]12[C:4]([H:12])([H:13])[C-:5]([H:14])[C:6]([H:15])([H:16])[C:7]2([H:11])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1,5H,2-4,6H2/t7-/m1/s1",102.50271,65.58010999999999,
9561,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C@:3]23[C:2]([H:10])([H:11])[C:6]([H:15])([H:16])[C@:5]([H:14])([C:4]2([H:12])[H:13])[C@:7]13[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-7-3-5(1)6(7)4-7/h5-6H,1-4H2/t5-,6+,7+/m1/s1",114.39623,23.492179999999998,
9562,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])([H:17])[C:6]([H:15])([H:16])[C:7]2,"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-3,5-6H2",59.76494,32.27021,
9563,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@:7]2([C:6]([C:5][H:14])([H:15])[H:16])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-6-5-7(6)3-4-7/h1,6H,2-5H2/t6-/m1/s1",81.06558000000001,80.77318000000001,
9564,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1](\[C:2]([H:9])([H:10])[H:11])(=[C:3]1/[C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])[H:8],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-5-3-6-4-7(5)6/h2,6-7H,3-4H2,1H3/b5-2-/t6-,7-/m0/s1",67.3366,-8.62326,
9565,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3]1(=[C:4]([H:12])[H:13])[C@:5]2([H:14])[C:6]([H:15])([H:16])[C@:7]12[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C5H6.C2H4/c1-3-4-2-5(3)4;1-2/h4-5H,1-2H2;1-2H2/t4-,5+;",125.46553,34.10376,
9566,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]2,"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-6-4-7(5-6)2-3-7/h6H,2-4H2,1H3/t6-/m1/s1",63.26525,55.09295,
9567,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])([H:16])[C@:7]2([C:6][H:15])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-6-2-3-7(6)4-5-7/h1,6H,2-5H2/t6-/m1/s1",66.37442,66.08471999999999,
9568,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4]([H:12])([H:13])[H:14])[C@@:7]1([H:17])[C:5][C:6]1([H:15])[H:16],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-7(4-5-7)6-2-3-6/h6H,2,4-5H2,1H3/t6-/m1/s1",78.20114000000001,65.20985,
9569,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4]([C:5](=[C:6]([H:15])[H:16])[H:14])([H:12])[H:13])[C:7][H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-3-4-7(2)5-6-7/h2-3H,1,4-6H2",74.54458000000001,59.41191,
9570,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1](=[C:3]([C:2]([H:10])([H:11])[H:15])[C:4]([C:5]1([H:14])[C:6]([H:16])=[C:7]1[H:17])([H:12])[H:13])([H:8])[H:9],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-6(2)5-7-3-4-7/h3-4,7H,1,5H2,2H3",89.10585,12.56382,
9571,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])=[C:3]1[C:4]([C:5]1([H:14])[C:6]([H:16])=[C:7]1[H:17])([H:12])[H:13].[H:11][H:15],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H8.H2/c1-2-6(1)5-7-3-4-7;/h1-3,6H,4-5H2;1H",123.08313000000001,72.04517,
9572,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:6]([H:15])([H:16])[C@@:7]2([C:5](=[C:4]([H:12])[H:13])[H:14])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-6-5-7(6)3-4-7/h2,6H,1,3-5H2/t6-/m0/s1",95.51169,0.27817,
9573,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:3](=[C:2]([H:10])[H:11])[C:4]([H:12])([H:13])[C:5]1([C:7](=[C:6]([H:15])[H:16])[H:17])[H:14],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-3-7-4-6(2)5-7/h3,7H,1-2,4-5H2",125.26588999999998,-12.1878,
9574,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:11])=[C:3]1[C:7]([C:6]([C:5](=[C:4]([H:12])[H:13])[H:14])([H:15])[H:16])([H:10])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-3-4-7-5-6-7/h2,5H,1,3-4,6H2",102.48321,12.859630000000001,
9575,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1=[C:7]([C:5]1([H:14])[C:4]([H:12])([H:13])[C:6]1([H:15])[H:16])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-6(1)5-7-3-4-7/h5-6H,1-4H2",108.27566999999999,2.52579,
9576,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:7]1([H:17])[C@:5]([C:4][H:13])([H:14])[C:6]1([H:15])[H:16])[H:12],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-5-4-7(5)6-2-3-6/h1,5-7H,2-4H2/t5-,7+/m0/s1",82.1039,65.59317,
9577,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3]1[C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C5H6.C2H4/c1-2-5-3-4(1)5;1-2/h4-5H,1,3H2;1-2H2/t4-,5+;/m0./s1",76.47676,69.38721,
9578,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4](=[C:5]([H:12])[H:14])[H:13])[C:7](=[C:6]([H:15])[H:16])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h3-4H,1-2,5-6H2",106.29613,-10.193060000000001,
9579,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5][C:6]([H:15])([H:16])[C:7]2([H:14])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1,3-6H2",60.782090000000004,38.82735,
9580,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-4-7-5-6(7)3-1/h6-7H,1,3-5H2/t6-,7+/m1/s1",91.67969000000001,40.88204,
9581,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1=[C:7]([C:6]([C:5](=[C:4]([H:12])[H:13])[H:14])([H:15])[H:16])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-3-4-7-5-6-7/h2,4H,1,3,5-6H2",65.29158000000001,-1.8525200000000002,
9582,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1](=[C:2]([C:3]1=[C:4]([H:12])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])[H:11])([H:8])[H:9].[H:10][H:13],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H8.H2/c1-2-5-3-6-4-7(5)6;/h2-3,6-7H,1,4H2;1H/t6-,7-;/m0./s1",115.70448,33.47568,
9583,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C@:6]2([N:4]([H:14])[C:5]2([H:15])[H:16])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h6H,3H2,1-2H3","InChI=1S/C5H9NO/c1-4(2)5(7-4)3-6-5/h6H,3H2,1-2H3/t5-/m1/s1",72.73119,29.72478,
9584,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N+:4]([H:14])([H:15])[C:5]([H:16])=[C:6]1[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h6H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h3,6-7H,1-2H3",60.122769999999996,27.10306,
9585,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N+:4]2([H:14])[C:5]([H:15])([H:16])[C-:6]1[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h6H,3H2,1-2H3","InChI=1S/C5H8NO/c1-5(2)4-3-6(5)7-4/h3H2,1-2H3/q-1/p+1",148.8902,141.51721,
9586,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5][H:15])[H:14])[C:6](=[O:7])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h6H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5(2,4-7)6-3/h3-4,6H,1-2H3",51.00815,37.65293,
9587,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([N+:4]1([H:14])[C:2]([C:3]([H:11])([H:12])[H:13])=[C:6]([O-:7])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h6H,3H2,1-2H3","InChI=1S/C5H9NO/c1-4-5(7)3-6(4)2/h7H,3H2,1-2H3",99.15034,35.49098,
9588,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[N:4][H:14])([H:8])([H:9])[H:10].[C:5](=[C:6]=[O:7])([H:15])[H:16],"InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h6H,3H2,1-2H3","InChI=1S/C3H7N.C2H2O/c1-3(2)4;1-2-3/h4H,1-2H3;1H2",62.83673,5.04404,
9589,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[N:4]([C:5]([C:6](=[O:7])[H:10])([H:15])[H:16])[H:14])([H:8])[H:9],"InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h6H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5(2)6-3-4-7/h4,6H,1,3H2,2H3",75.81083000000001,2.46327,
9590,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C+:2]([C:3]([H:11])([H:12])[H:13])[N:4]([C-:5]([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h6H,3H2,1-2H3","InChI=1S/C4H9N.CO/c1-4(2)5-3;1-2/h5H,3H2,1-2H3;",44.25415,32.288540000000005,
9591,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]([O:5][H:12])([H:15])[C:6]([H:13])([H:14])[C:7]1)[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c6-4-1-2-5(7)3-4/h4-7H,1,3H2/t4-,5+/m0/s1",66.38906,43.68628,
9592,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C:6]([C@:4]1([O:5][H:12])[C:3]([H:10])([H:11])[C:2]([H:9])=[C:7]1[H:15])([H:13])[H:14])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c6-4-5(7)2-1-3-5/h1-2,6-7H,3-4H2/t5-/m1/s1",87.98723000000001,-1.4432,
9593,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]([H:13])([H:14])[C:7]1([H:12])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c6-4-1-2-5(7)3-4/h4,6H,1-3H2/t4-/m1/s1",58.68991,-42.57913,
9594,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]2=[C:6]([H:14])[C@@:7]12[H:15])[H:8].[O:5]([H:12])[H:13],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H6O.H2O/c6-5-2-3-1-4(3)5;/h1,4-6H,2H2;1H2/t4-,5+;/m1./s1",88.81925,69.6235,
9595,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]([O:5][H:12])([H:14])[C:7]1([C:6][H:13])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c1-3-4(6)2-5(3)7/h1,3-7H,2H2/t4-,5-/m0/s1",66.01484,64.23393,
9596,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:7]1([C:4]([O:5][H:12])=[C:6]([H:13])[H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c1-3(6)4-2-5(4)7/h4-7H,1-2H2/t4-,5+/m1/s1",71.80651,-9.031360000000001,
9597,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]([C:3][H:10])([C@@:7]1([H:15])[C@@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c1-3(6)4-2-5(4)7/h1,3-7H,2H2/t3-,4-,5+/m0/s1",84.52049,76.43306,
9598,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]([C:3]([C:4]([O:5][H:12])=[C:6]([H:13])[H:14])([H:10])[H:11])([C:7][H:15])[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h1,4,6-7H,2-3H2/t4-/m1/s1",73.21676,70.32464,
9599,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([O:5][H:12])=[C:6]([H:14])[C:7]1([H:13])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c6-4-1-2-5(7)3-4/h1,5-7H,2-3H2/t5-/m1/s1",62.17971,-30.13607,
9600,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[C:2]1([H:9])=[C:3]([H:10])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15].[O:1]([H:8])[H:11],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H6O.H2O/c6-5-2-1-4(5)3-5;/h1-2,4,6H,3H2;1H2/t4-,5-;/m1./s1",80.48979,29.387159999999998,"1,3_Insertion_ROR"
9601,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:7]1([C:6]([C:4][O:5][H:12])([H:13])[H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c6-2-1-4-3-5(4)7/h4-7H,1,3H2/t4-,5+/m1/s1",68.24221,39.95074,
9602,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1](/[C:2](=[C:7](/[C:6]([C:4](=[C:3]([H:10])[H:11])[O:5][H:12])([H:13])[H:14])[H:15])[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h2,4,6-7H,1,3H2/b4-2+",47.92233,-16.63437,
9603,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]([C:3]([H:10])([H:11])[H:12])([C@@:7]1([H:15])[C:4](=[O:5])[C:6]1([H:13])[H:14])[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c1-3(6)4-2-5(4)7/h3-4,6H,2H2,1H3/t3-,4-/m0/s1",76.65122,-3.5991,
9604,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]2=[C:7]1[C:6]2([H:13])[H:14])[H:8].[O:5]([H:12])[H:15],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H6O.H2O/c6-5-2-3-1-4(3)5;/h5-6H,1-2H2;1H2/t5-;/m0./s1",95.66144,76.74728,
9605,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[H:8][H:15].[O:1]=[C:2]([C:7]12[C:3]([H:10])([H:11])[C:4]1([O:5][H:12])[C:6]2([H:13])[H:14])[H:9],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H6O2.H2/c6-3-4-1-5(4,7)2-4;/h3,7H,1-2H2;1H",106.4808,29.057959999999998,
9606,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C:2][C:3]([C:4]1([O:5][H:12])[C:6]([H:13])([H:14])[C:7]1([H:9])[H:15])([H:10])[H:11])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h6-7H,1-3H2",71.63996,36.71868,
9607,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]=[C:2]([C@@:7]1([H:15])[C@:4]([C:3]([H:8])([H:10])[H:11])([O:5][H:12])[C:6]1([H:13])[H:14])[H:9],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c1-5(7)2-4(5)3-6/h3-4,7H,2H2,1H3/t4-,5+/m0/s1",71.2578,-18.83517,
9608,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C:2][C@@:7]1([H:15])[C@:4]([C:3]([H:9])([H:10])[H:11])([O:5][H:12])[C:6]1([H:13])[H:14])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c1-5(7)2-4(5)3-6/h4,6-7H,2H2,1H3/t4-,5+/m0/s1",66.90547,33.98813,
9609,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4][C:6]([H:13])([H:14])[C@@:7]1([O:5][H:12])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c6-4-2-1-3-5(4)7/h4-7H,2-3H2/t4-,5-/m0/s1",84.40775,41.98433,
9610,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[H:8][H:9].[O:1]=[C:2]1[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H6O2.H2/c6-4-2-5(7)1-3(4)5;/h3,7H,1-2H2;1H/t3-,5-;/m0./s1",83.27424,12.53435,
9611,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[N:4][C@:7]1([C:6](=[O:5])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3","InChI=1S/C4H5NO2/c1-7-4-3(2-6)5-4/h2-3H,1H3/t3-/m0/s1",64.00839,14.96205,ketoenol
9612,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([n:4]1[c:3](=[O:2])[c:7]([H:12])[c:6]([H:11])[o:5]1)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3","InChI=1S/C4H5NO2/c1-5-4(6)2-3-7-5/h2-3H,1H3",66.55913000000001,-4.65684,ketoenol
9613,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][N:4]=[C:3]=[C:7]([C:6](=[O:5])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3","InChI=1S/C4H5NO2/c1-7-5-3-2-4-6/h2,4H,1H3",74.26918,38.22572,
9614,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[N:4][O+:5]=[C-:6][C:7]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3","InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2H2,1H3",68.69402,50.666109999999996,Singlet_Carbene_Intra_Disproportionation
9615,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:7]([H:12])[C@@:6]2([H:11])[N:4]1[O:5]2)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3","InChI=1S/C4H5NO2/c1-6-3-2-4-5(3)7-4/h2,4H,1H3/t4-,5?/m0/s1",93.06114000000001,70.65765999999999,
9616,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C+:7][C:6]([H:11])([H:12])[O:5][N-:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3","InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h3H2,1H3",76.0066,76.75341999999999,Singlet_Carbene_Intra_Disproportionation
9617,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:7]=[C:6]([H:11])[O:5][N:4]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3","InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h3,5H,1H3",109.0511,61.15741,
9618,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]#[N+:4][O-:5])([H:8])([H:9])[H:10].[C:6](#[C:7][H:12])[H:11],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3",InChI=1S/C2H3NO2.C2H2/c1-5-2-3-4;1-2/h1H3;1-2H,105.92738,95.45401,
9619,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]2([H:16])[H:17],[C:1](=[C:2]([H:10])[H:11])([C:3]1=[C:7]([H:16])[C:6]([H:15])=[C:5]([H:14])[C:4]1([H:12])[H:13])[H:9].[H:8][H:17],"InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2","InChI=1S/C7H8.H2/c1-2-7-5-3-4-6-7;/h2-5H,1,6H2;1H",100.51471,16.19742,
9620,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]2([H:16])[H:17],[C:1]1([H:8])([H:9])[C:3](=[C:2]([H:10])[H:11])[C:7]([H:16])([H:17])[C:6]1([C:5](=[C:4]([H:12])[H:13])[H:14])[H:15],"InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2","InChI=1S/C7H10/c1-3-7-4-6(2)5-7/h3,7H,1-2,4-5H2",99.90328000000001,15.44185,
9621,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]2([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])=[C:5]([H:14])[C:6]([H:13])([H:15])[C:7]2([H:16])[H:17],"InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2","InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1,3H,2,4-6H2",85.20526,-0.69915,
9622,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]2([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:13])=[C:5]([H:14])[C:6]([H:15])=[C:7]2[H:17].[H:12][H:16],"InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2","InChI=1S/C7H8.H2/c1-2-4-7(3-1)5-6-7;/h1-4H,5-6H2;1H",62.61233000000001,22.61822,
9623,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]2([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5][C:6]([H:14])([H:15])[C:7]2([H:16])[H:17],"InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2","InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1,3-6H2",67.36955999999999,66.33703,Singlet_Carbene_Intra_Disproportionation
9624,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C-:5]=[O+:7][C:6]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-4-5(6-4)3-7-2/h4-6H,1-2H3/t4-,5+/m1/s1",73.64923,36.43675,
9625,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C-:2]([N:3]([C+:4]([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-2-6-3-5-4-7-5/h2-3,5-6H,4H2,1H3/t5-/m0/s1",50.45131,27.704259999999998,
9626,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4][C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:12])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-2-6-3-5-4-7-5/h5-6H,2,4H2,1H3/t5-/m0/s1",71.97965,20.126910000000002,
9627,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])/[C:4]1=[C:5](/[C:6]([O:7][H:13])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h2,4,6-7H,3H2,1H3/b5-2+/t4-/m1/s1",70.98095,-4.0787,
9628,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[C:4]([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-2-6-3-5-4-7-5/h2,5H,3-4H2,1H3/b6-2+/t5-/m0/s1",69.02072,-10.76126,
9629,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:4]([N:3]([C:2][H:11])[H:12])([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-4(6-2)5-3-7-5/h2,4-6H,3H2,1H3/t4-,5-/m1/s1",99.17036,29.418709999999997,
9630,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C-:2]1[N+:3]([H:11])([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h4-5H,2,6H2,1H3/t4-,5-/m1/s1",66.44373,55.286840000000005,
9631,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C-:6]=[O+:7]1)[H:13])([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H7NO.H2/c1-3-5(6-3)4-2-7-4;/h3-6H,1H3;1H/t3-,4-,5-;/m1./s1",90.80228000000001,66.11711,
9632,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])/[C:4]1=[C:5]1/[C:6]([H:15])([H:16])[O:7]1)([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H7NO.H2/c1-3-5(6-3)4-2-7-4;/h3,6H,2H2,1H3;1H/b5-4-;/t3-;/m1./s1",107.87608999999999,46.922109999999996,
9633,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[H:12])[C:4]([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-4(6)2-5-3-7-5/h5-6H,2-3H2,1H3/b6-4+/t5-/m0/s1",73.82695,-19.40686,
9634,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]([C:6][H:15])([O:7][H:16])[H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-3-5(6-3)4(2)7/h2-7H,1H3/t3-,4-,5-/m1/s1",74.60019,69.07491,
9635,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[H:12])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]1[C:6]([H:15])([H:16])[O:7]1)([H:13])[H:14],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C3H4O.C2H5N/c1-3-2-4-3;1-2-3/h1-2H2;2-3H,1H3/b;3-2-",97.57478,11.49676,
9636,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[O:7][C:6]([H:15])([H:16])[C:5]([H:14])=[C:4]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-5-3-2-4-7-6-5/h2-3,5-6H,4H2,1H3/t5-/m1/s1",107.71739,63.596759999999996,
9637,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[H:12])[H:11])([H:8])([H:9])[H:10].[C:4]([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C3H4O.C2H5N/c1-3-2-4-3;1-2-3/h1,3H,2H2;2-3H,1H3/b;3-2-/t3-;/m0./s1",87.14998,80.96307,
9638,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]2[C@@:4]1([H:13])[C@:5]2([C:6]([O:7][H:12])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-3-5-4(2-7)6(3)5/h3-5,7H,2H2,1H3/t3-,4-,5-,6?/m1/s1",65.31705,5.81619,
9639,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5](=[O+:7][C-:6]([H:15])[H:16])[H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-4-5(6-4)3-7-2/h3-6H,2H2,1H3/t4-,5+/m1/s1",66.58858000000001,53.1324,
9640,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([O:7][C:6]([C:5][H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-3-7-5-4(2)6-5/h1,4-6H,3H2,2H3/t4-,5+/m1/s1",108.55705,80.0162,
9641,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N+:3]([H:12])([H:13])[C-:4]1[C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-4H,2,6H2,1H3/t3-,4-/m1/s1",63.5881,46.777440000000006,
9642,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([O+:7]=[C-:6][H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-4-5(6-4)3-7-2/h2,4-6H,3H2,1H3/t4-,5+/m1/s1",79.26026999999999,50.48662,
9643,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5][C:6]([O:7][H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h4-7H,3H2,1H3/t4-,5+/m1/s1",72.38724,55.23065,
9644,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]([H:12])[H:14])(/[C:4](=[C:5]1\[C:6]([H:15])([H:16])[O:7]1)[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-4(6)2-5-3-7-5/h2,4H,3,6H2,1H3/b5-2+/t4-/m1/s1",69.70804,-2.91403,
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9650,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C:4](=[C:5]([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-6-3-2-5(4-6)7-6;/h2H,3-4H2,1H3;1H/t6-;/m0./s1",126.41547,105.1129,
9651,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:6]([C:5]([C:4](=[O:7])[H:13])([H:14])[H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-6(2)4-3-5-7/h5H,1,3-4H2,2H3",49.49576,-9.482569999999999,
9652,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:6]([H:16])([H:17])[C:5]([H:14])([H:15])[C-:4]=[O+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-6(2)4-3-5-7-6/h3-4H2,1-2H3",74.21836,23.57742,
9653,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]([C:6]([C:5]([C:4](=[C:3]([H:11])[H:12])[H:13])([H:14])[H:15])([H:16])[H:17])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3",54.09992,-14.45796,
9654,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-2-3-6-4-5-7-6/h6H,3-5H2,1H3/t6-/m0/s1",118.88703000000001,79.68417,
9655,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:7][H:13])[C:3]([H:11])([H:12])[C:4][C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h7H,2,4-5H2,1H3/t6-/m0/s1",74.44686999999999,51.00728,
9656,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:6]([C:5][H:14])([H:16])[H:17])[C:3]([H:11])([H:12])[C:4]([H:13])([H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-3-6(2)4-5-7-6/h1H,3-5H2,2H3/t6-/m0/s1",90.36547,87.49791,
9657,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2]12=[C:3]([H:11])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2,"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C5H6O.CH4/c1-2-5-3-4(1)6-5;/h3-4H,1-2H2;1H4/t4-;/m1./s1",137.33485,96.23016,
9658,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:6]([C:5]([C:4][H:13])([H:14])[H:15])([H:16])[H:17])[C:3]([H:11])([H:12])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-3-4-6(2)5-7-6/h1H,3-5H2,2H3/t6-/m0/s1",108.35095,83.56004,
9659,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1)[O:7]2)([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-6-3-2-5(4-6)7-6;/h5H,2,4H2,1H3;1H/t5-,6+;/m1./s1",105.06875,100.35767,
9660,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C-:2]=[O+:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-2-6-4-3-5-7-6/h6H,2-4H2,1H3/t6-/m0/s1",121.11089,27.915570000000002,
9661,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:6]([H:16])([H:17])[C:5]([H:14])([H:15])[C@@:4]([C:3][H:12])([H:13])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-5-3-4-6(2)7-5/h1,5-6H,3-4H2,2H3/t5-,6-/m0/s1",82.24924,66.18343,
9662,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:6]([C:5]([H:13])([H:14])[H:15])([H:16])[H:17])[C:3]([H:11])([H:12])[C-:4]=[O+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-3-6(2)4-5-7-6/h3-4H2,1-2H3/t6-/m0/s1",72.49476,43.4431,
9663,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C@@:6]2([H:17])[C:3]([H:11])([H:12])[C@:4]([H:13])([C:5]2([H:14])[H:15])[O:7]1)([H:8])[H:9].[H:10][H:16],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-4-5-2-6(3-5)7-4;/h5-6H,1-3H2;1H/t5-,6+;",122.03018,31.70498,
9664,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1([C:6]([H:11])([H:16])[H:17])[C@:3]2([H:12])[C@@:4]([H:13])([C:5]2([H:14])[H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-6(2)4-3-5(4)7-6/h4-5H,3H2,1-2H3/t4-,5+/m0/s1",133.87505,16.75459,
9665,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2][C:6]([C:5]([C@:4]1([H:13])[C:3]([H:11])([H:12])[O:7]1)([H:14])[H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h6H,3-5H2,1H3/t6-/m1/s1",107.70871000000001,83.22261999999999,
9666,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6]([H:12])=[C:7]2[H:13])[H:8],[C:2]123[C@:3]4([H:10])[O:4][C@@:5]1([H:11])[C@@:6]2([H:12])[C@:7]34[H:13].[O:1]([H:8])[H:9],"InChI=1S/C5H6O2/c6-5-3-1-2-4(5)7-3/h1-6H/t3-,4+,5-","InChI=1S/C5H4O.H2O/c6-3-1-2-4(6)5(1,2)3;/h1-4H;1H2/t1-,2+,3+,4-,5?;",81.41115,62.319219999999994,
9667,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6]([H:12])=[C:7]2[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6][C:7]2([H:12])[H:13])[H:8],"InChI=1S/C5H6O2/c6-5-3-1-2-4(5)7-3/h1-6H/t3-,4+,5-","InChI=1S/C5H6O2/c6-5-3-1-2-4(5)7-3/h3-6H,1H2/t3-,4+,5-/m0/s1",65.08473000000001,57.838080000000005,Singlet_Carbene_Intra_Disproportionation
9668,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6]([H:12])=[C:7]2[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C@:5]2([H:11])[O:4][C:3]([H:10])=[C:7]([H:13])[C@:6]12[H:12])[H:8],"InChI=1S/C5H6O2/c6-5-3-1-2-4(5)7-3/h1-6H/t3-,4+,5-","InChI=1S/C5H6O2/c6-4-3-1-2-7-5(3)4/h1-6H/t3-,4-,5-/m1/s1",32.70753,-16.744310000000002,
9669,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6]([H:12])=[C:7]2[H:13])[H:8],[O:1]([C@@:2]([C:3]1([H:10])[C:6]([H:12])=[C:7]1[H:13])([C:5](=[O:4])[H:11])[H:9])[H:8],"InChI=1S/C5H6O2/c6-5-3-1-2-4(5)7-3/h1-6H/t3-,4+,5-","InChI=1S/C5H6O2/c6-3-5(7)4-1-2-4/h1-5,7H/t5-/m1/s1",46.304429999999996,8.16045,
9670,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6]([H:12])=[C:7]2[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])=[C:7]([H:13])[C@@:6]2([H:12])[O:4][C@@:5]12[H:11])[H:8],"InChI=1S/C5H6O2/c6-5-3-1-2-4(5)7-3/h1-6H/t3-,4+,5-","InChI=1S/C5H6O2/c6-3-1-2-4-5(3)7-4/h1-6H/t3-,4+,5-/m0/s1",35.29379,-18.42161,
9671,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:13])[N:3]=[C:4]([H:11])[C:5]([O:6][H:12])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2-3H,1H3,(H,6,7)/t3-/m0/s1",47.677659999999996,12.06136,
9672,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([N:7](/[C:5](=[C:4](\[N+:3]#[C-:2])[H:11])[O:6][H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-5-3-4(7)6-2/h3,6-7H,2H3/b4-3+",117.84427,39.53109,
9673,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N+:3]=[C-:4][C@@:5]([O:6][H:12])([H:11])[N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h4,6-7H,1H3/t4-/m0/s1",72.99504,65.32977,Singlet_Carbene_Intra_Disproportionation
9674,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:3][C@:4]([O:6][H:12])([H:11])[C-:5]=[N+:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h4-5,7H,1H3/t4-/m0/s1",84.24128,51.82799,
9675,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[C:4](/[C:5][O:6][H:12])[H:11])=[N:7]\[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-4(5)6-2-3-7/h2,5,7H,1H3/b5-4+,6-2+",99.08289,78.59019,
9676,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([c+:2]1[n:3]([H:11])[c-:4][c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h5-7H,1H3",80.52405,45.30495,
9677,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2]([N:3]1[C:4]([H:11])=[C:5]1[O:6][H:12])=[N:7]\[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3(5)6-2-4(6)7/h2,5,7H,1H3/b5-3+",101.85436999999999,87.42781,
9678,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N:3]([H:9])[C:4]([H:11])=[C:5]([O:6][H:12])[N:7]1[H:13])([H:8])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,5-7H,1H2",71.27841,26.88921,
9679,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N:3]=[C:4]([H:11])[C@@:5]([O:6][H:12])([H:9])[N:7]1[H:13])([H:8])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,4,6-7H,1H2/t4-/m0/s1",93.13063000000001,23.006079999999997,
9680,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C-:2]=[N+:3]=[C:4](/[C:5]([O:6][H:12])=[N:7]/[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-2-6-3-4(5)7/h3H,1H3,(H2,5,7)",56.04196999999999,51.43441,
9681,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](=[N+:3]=[C-:4][H:11])[N:7]([C:5][O:6][H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-4(5-2)6-3-7/h2,6-7H,1H3",88.93188,90.36554,
9682,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@:4]([N+:3]#[C-:2])(/[C:5]([O:6][H:12])=[N:7]/[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3(6-2)4(5)7/h3H,1H3,(H2,5,7)/t3-/m0/s1",116.83277,31.585009999999997,
9683,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]#[N:3])([H:8])([H:9])[H:10].[C:4]1([H:11])=[C:5]([O:6][H:12])[N:7]1[H:13],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C2H3NO.C2H3N/c4-2-1-3-2;1-2-3/h1,3-4H;1H3",103.5378,92.19018,
9684,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C@@:5]([O:6][H:12])([H:13])[C:4]([H:11])=[N:3]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,4,7H,1H3/t4-/m1/s1",50.698190000000004,18.36584,
9685,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([N:7]([C:5][O:6][H:12])[H:13])[N:3]=[C:4]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-4(2-5-4)6-3-7/h2,6-7H,1H3/t4-/m0/s1",125.89685,75.80044000000001,
9686,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:3][C@:4]1(/[C:5]([O:6][H:12])=[N:7]/[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-2-3(6-2)4(5)7/h3H,1H3,(H2,5,7)/t3-/m1/s1",90.70483,38.80657,
9687,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3]2([H:11])[C:4]([H:12])([H:13])[C:5]1([O:6][H:8])[C:7]2([H:14])[H:15],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C5H8O2/c6-5-1-4(2-5)3-7-5/h4,6H,1-3H2",61.595530000000004,10.65522,
9688,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[C:4](=[C:5]=[O:6])([H:12])[H:13].[O:1]([C:2]([C:3](=[C:7]([H:14])[H:15])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C3H6O.C2H2O/c1-2-3-4;1-2-3/h2,4H,1,3H2;1H2",49.7422,22.09434,
9689,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[O:1]([C:2]([C@:3]1([H:11])[C:4]([H:12])=[C:5]([O:6][H:13])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h1,4,6-7H,2-3H2/t4-/m1/s1",79.27423,16.22032,ketoenol
9690,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[H:11][H:13].[O:1]([C:2]([C:3]1=[C:4]([H:12])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C5H6O2.H2/c6-3-4-1-5(7)2-4;/h1,6H,2-3H2;1H",100.28026,31.585559999999997,
9691,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3][C:7]([C:5]([C:4]([H:11])([H:12])[H:13])=[O:6])([H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h6H,3-4H2,1H3",77.38,67.85896,
9692,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[O:1]([C:7]([C:5]([C:4]([C:3](=[C:2]([H:9])[H:10])[H:11])([H:12])[H:13])=[O:6])([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h2,6H,1,3-4H2",85.16433,2.18938,
9693,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[H:8][H:10].[O:1]=[C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])[H:9],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C5H6O2.H2/c6-3-4-1-5(7)2-4;/h3-4H,1-2H2;1H",84.77731,17.98467,
9694,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:7]([C:5](=[C+:4][H:12])[O-:6])([H:14])[H:15])([H:11])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h1,6H,2-4H2",76.21067,71.30773,
9695,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[C:2]1([H:9])([H:10])[C@:3]2([H:11])[C@@:4]1([H:13])[C:5](=[O:6])[C:7]2([H:14])[H:15].[O:1]([H:8])[H:12],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C5H6O.H2O/c6-5-2-3-1-4(3)5;/h3-4H,1-2H2;1H2/t3-,4-;/m0./s1",84.28685,16.88554,
9696,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5][C:7]1([H:14])[H:15])([O:6][H:10])[H:9])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4-7H,2-3H2",100.11423,82.12308,
9697,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[C:2](=[C:3]1[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10].[O:1]([H:8])[H:11],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2",InChI=1S/C5H6O.H2O/c1-4-2-5(6)3-4;/h1-3H2;1H2,70.54509,11.388689999999999,"1,3_Insertion_ROR"
9698,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[C:4](=[C:5]=[O:6])([H:12])[H:13].[O:1](/[C:2](=[C:3](\[C:7]([H:10])([H:14])[H:15])[H:11])[H:9])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C3H6O.C2H2O/c1-2-3-4;1-2-3/h2-4H,1H3;1H2/b3-2-;",120.1918,15.99439,
9699,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C@:5]1([H:12])[O:6][C@@:7]23[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:13])[O:3][C@@:4]2([H:11])[C@:5]1([H:12])[O+:6]=[C-:7]2)([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-3-2(7-5)4(5)6-3/h2-4H,1H3/t2-,3-,4+,5+","InChI=1S/C5H6O2/c1-3-5-4(7-3)2-6-5/h3-5H,1H3/t3-,4-,5-/m1/s1",56.19404,9.67543,
9700,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C@:5]1([H:12])[O:6][C@@:7]23[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:7](=[O:6])[H:13])[O:3][C:4]([H:11])=[C:5]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-3-2(7-5)4(5)6-3/h2-4H,1H3/t2-,3-,4+,5+","InChI=1S/C5H6O2/c1-5(4-6)2-3-7-5/h2-4H,1H3/t5-/m1/s1",39.99993,-53.77376999999999,
9701,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2](/[C:3](=[C:4](\[C:5]([H:14])([H:15])[H:16])[H:13])[H:12])([C:7](=[C:6]([H:17])[H:18])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H12/c1-4-6-7(3)5-2/h4-7H,2H2,1,3H3/b6-4-/t7-/m1/s1",93.3976,10.44378,
9702,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:7]1=[C:3]([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:11])([H:8])[H:9].[H:10][H:19],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H10.H2/c1-2-7-5-3-4-6-7;/h2,5H,1,3-4,6H2;1H",120.65404,16.82875,
9703,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C:2][C:7]1([H:19])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h7H,3-6H2,1H3",68.90399000000001,64.86434,
9704,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([C:5]([C:6]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:12])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H12/c1-3-4-7-5-6(7)2/h6-7H,3-4H2,1-2H3/t6-,7+/m1/s1",93.92309,86.66409,
9705,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([C:5]([H:15])([H:16])[H:17])([H:13])[H:14])([H:12])[C@:7]1([C:6][H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H12/c1-4-7-5(2)6(7)3/h2,5-7H,4H2,1,3H3/t5-,6+,7-/m0/s1",89.06103,80.96094000000001,
9706,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:7]1([H:19])[C:3][C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h7H,2-5H2,1H3/t7-/m1/s1",66.49311,61.20265,
9707,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[C:4]([H:13])[H:14])[H:12])([C:7]([C:6](=[C:5]([H:15])[H:16])[H:18])([H:17])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H12/c1-4-6-7(3)5-2/h4-5,7H,1-2,6H2,3H3/t7-/m0/s1",94.91225,12.238480000000001,
9708,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5][C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H10.H2/c1-5-6-3-2-4-7(5)6;/h5-7H,3-4H2,1H3;1H/t5-,6+,7-;",100.04118000000001,93.09215,
9709,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:10])([H:17])[C:7]1([H:18])[H:19])[H:11])([H:8])[H:9],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h2,7H,1,3-6H2",92.16606999999999,-3.4628699999999997,
9710,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3][C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C:7]1([H:12])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h7H,2-5H2,1H3/t7-/m1/s1",69.52496,63.09336999999999,
9711,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:12])=[C:7]1[H:19])([H:8])([H:9])[H:10].[C:4](=[C:5]([C:6]([H:15])([H:17])[H:18])[H:16])([H:13])[H:14],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C4H6.C3H6/c1-4-2-3-4;1-3-2/h2-4H,1H3;3H,1H2,2H3",127.53752,59.105090000000004,
9712,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[C:7](=[C:6]([H:17])[H:18])[H:19])[H:12])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C5H8.C2H4/c1-3-5-4-2;1-2/h3-5H,1H2,2H3;1-2H2/b5-4-;",100.20389,30.93246,
9713,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7]1/[C:3]([H:12])=[C:4]([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:11])([H:8])([H:9])[H:10].[H:13][H:19],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H10.H2/c1-2-7-5-3-4-6-7;/h2-3,5H,4,6H2,1H3;1H/b7-2-;",125.1321,14.50464,
9714,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:11])[H:13])([H:8])([H:9])[H:10].[O:3]([H:12])[H:14],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2.H2O/c1-2-4(6)3-5;/h3H,2H2,1H3;1H2",72.46916999999999,9.94796,
9715,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](\[O:5][H:14])(=[C:6](\[O:7][H:12])[H:15])[H:13],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C2H4O2.C2H4O/c3-1-2-4;1-2-3/h1-4H;2H,1H3/b2-1-;",35.385690000000004,20.90739,Retroene
9716,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:4]([C:2](=[O:3])[H:11])([C:6](=[O:7])[H:15])[H:13])([H:8])([H:9])[H:10].[O:5]([H:12])[H:14],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2.H2O/c1-4(2-5)3-6;/h2-4H,1H3;1H2",79.26562,7.544010000000001,
9717,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1](/[C:2]([O:3][H:12])=[C:4](\[O:5][H:14])[H:13])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C3H6O2.CO.H2/c1-3(5)2-4;1-2;/h2,4-5H,1H3;;1H/b3-2+;;",78.41458,27.51588,
9718,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[O:5][C@@:6]1([O:7][H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O3/c1-2(5)3-4(6)7-3/h2-6H,1H3/t2-,3-,4+/m1/s1",53.518280000000004,16.31738,
9719,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](/[O:5][H:14])[H:13])[H:11])([H:8])([H:9])[H:10].[O:3]([C:6](=[O:7])[H:15])[H:12],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C3H6O.CH2O2/c1-2-3-4;2-1-3/h2-4H,1H3;1H,(H,2,3)/b3-2+;",56.97575,3.01605,
9720,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O3.H2/c1-3(6)4(7)2-5;/h2-3,6H,1H3;1H/t3-;/m1./s1",89.26056,28.336370000000002,
9721,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@@:6]([O:7][H:12])([H:15])[C@@:4]1([O:5][H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O3/c1-2-3(5)4(6)7-2/h2-6H,1H3/t2-,3-,4+/m1/s1",48.72413,10.93225,
9722,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]([O:7][H:14])([H:13])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h3,5-6H,2H2,1H3/t3-/m1/s1",40.90447,-3.4697199999999997,
9723,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:9])[H:10].[O:3]([H:8])[H:12],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2.H2O/c1-2-4(6)3-5;/h2-4,6H,1H2;1H2/t4-;/m1./s1",68.50097,16.41272,"1,3_Insertion_ROR"
9724,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:11])[C:4](/[N:5]=[C:7](\[C:6]([H:9])([H:14])[H:15])[H:16])([H:12])[H:13])([H:8])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-3-6-4-5(2)7/h3,7H,2,4H2,1H3/b6-3-",98.20822,-25.7652,
9725,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:11])=[C:7](/[C:6]([N:5]=[C:4]([H:12])[H:13])([H:14])[H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-5(7)3-4-6-2/h3,7H,2,4H2,1H3/b5-3-",56.0433,-26.424609999999998,
9726,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C-:4]([H:12])[N+:5]2([H:13])[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h3-4,6-7H,2H2,1H3/t4-,5+/m0/s1",81.09145,51.97481,
9727,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C:4]([N:5]1[C:6]([H:14])([H:15])[C@:7]1([C:2][O:3][H:11])[H:16])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-2-6-3-5(6)4-7/h5,7H,2-3H2,1H3/t5-,6?/m0/s1",119.33575,42.91782,
9728,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]2[N:5]([C:4]1([H:12])[H:13])[C:6]2([H:14])[H:15])([H:8])([H:9])[H:10].[O:3]([H:11])[H:16],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H7N.H2O/c1-4-2-6-3-5(4)6;/h2-3H2,1H3;1H2",84.15655,59.525859999999994,"1,3_Insertion_ROR"
9729,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N+:5]([C-:6]([H:14])[H:15])=[C:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-5(7)3-6(2)4-5/h3,7H,2,4H2,1H3/t5-/m0/s1",57.778,15.39534,
9730,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N+:5]2([H:15])[C-:6]([H:14])[C@@:7]12[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h2,4,6-7H,3H2,1H3/t4-,5+/m0/s1",63.73525,48.70622,
9731,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[O:3][C@@:7]1([H:16])[C:6]([H:14])([H:15])[N:5]([H:11])[C:4]2([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-5-3-6-2-4(5)7-5/h4,6H,2-3H2,1H3/t4-,5+/m0/s1",58.022,-23.036739999999998,
9732,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N+:5]2([H:16])[C:6]([H:14])([H:15])[C-:7]12)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h6-7H,2-3H2,1H3/t5-/m1/s1",56.450959999999995,42.394870000000004,
9733,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C:6]([C@@:7]1([H:16])[C@@:2]2([O:3][H:11])[C:4]([H:12])([H:13])[N:5]21)([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-2-4-5(7)3-6(4)5/h4,7H,2-3H2,1H3/t4-,5-,6?/m0/s1",118.11813000000001,6.627619999999999,
9734,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1(=[O:3])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C4H5NO.CH4/c6-4-2-5-1-3(4)5;/h3H,1-2H2;1H4/t3-,5?;/m0./s1",81.68997,3.2922,
9735,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@@:2]2([O:3][H:11])[C@:4]1([H:12])[N:5]1[C:6]([H:14])([H:15])[C@@:7]21[H:16].[H:9][H:13],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H7NO.H2/c7-5-1-3(5)6-2-4(5)6;/h3-4,7H,1-2H2;1H/t3-,4+,5-,6?;/m1./s1",119.2471,55.27956,
9736,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C+:4]([H:13])[N:5]([H:12])[C:6]([H:14])([H:15])[C-:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-5(7)2-3-6-4-5/h2,4,6-7H,3H2,1H3/t5-/m0/s1",94.70100000000001,25.81087,
9737,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2](=[O:3])[C@@:7]2([H:16])[N:5]([C:4]1([H:12])[H:13])[C:6]2([H:14])[H:15].[H:9][H:11],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H7NO.H2/c7-5-1-2-6-3-4(5)6;/h4H,1-3H2;1H/t4-,6?;/m0./s1",100.3356,-4.4193,
9738,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])[H:10].[O:3]([H:9])[H:11],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H7N.H2O/c1-4-2-6-3-5(4)6;/h5H,1-3H2;1H2/t5-,6?;/m0./s1",68.75199,15.226720000000002,"1,3_Insertion_ROR"
9739,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]=[C:7]([N:5]=[C:4]=[C:3]([H:12])[H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-3-5-6-7-4-2/h3,6H,2H2,1H3",55.25873000000001,26.947979999999998,
9740,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:6]#[C:7][H:14])[H:11])([H:8])[H:9].[C:3](=[C:4]=[N:5][H:10])([H:12])[H:13],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C4H4.C2H3N/c1-3-4-2;1-2-3/h1,4H,2H2;3H,1H2",66.59097,44.00315,Retroene
9741,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:6]1=[C:2]([H:11])[C:4](=[C:3]([H:12])[H:13])[N:5]=[C:7]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-5-3-6(2)7-4-5/h3-4H,2H2,1H3",115.29258,-16.89356,
9742,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]#[N:5])([H:12])[H:13])=[C:6]=[C:7]([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,4H2,2H3",80.92466999999999,-2.99105,
9743,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:6](/[C:3]([C:4]#[N:5])([H:12])[H:13])[C:7][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-3-6(2)4-5-7/h2-3H,4H2,1H3/b6-3+",90.72348000000001,57.953359999999996,
9744,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:6]([N:5]=[C:4]=[C:3]([H:12])[H:13])=[C:7]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-3-7-6-4-5(6)2/h4-5H,1H2,2H3/t5-/m1/s1",98.03291,45.76299,
9745,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])/[C:4](=[N:5]/[H:14])[C:7]#[C:6]1)([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-5-2-3-6(7)4-5/h5,7H,4H2,1H3/b7-6+/t5-/m1/s1",90.47788,63.5214,
9746,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:7](=[C:6])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-3-6(2)4-5-7/h3,6H,4H2,2H3/t6-/m1/s1",59.23933,47.53792,Singlet_Carbene_Intra_Disproportionation
9747,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([N+:5]#[C-:4])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-4-6(2)5-7-3/h1,6H,5H2,2H3/t6-/m1/s1",60.16199,22.61988,
9748,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]([C:2]1=[C:3]([H:8])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:9],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h1,3,6H,2H2",70.354,20.20871,ketoenol
9749,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[C:3]1([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12].[O+:1]#[C-:2],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C3H5NO.CO/c5-3-4-1-2-4;1-2/h3H,1-2H2;",95.02798,32.34212,
9750,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[H:11][H:12].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[N+:5]=[C-:6][O:7]1,"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H3NO2.H2/c6-4-1-2-5-3-7-4;/h2H,1H2;1H",116.83563999999998,83.71602,
9751,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]([C:3](/[C:4](=[N:5]\[C:6](=[O:7])[H:12])[H:11])([H:8])[H:9])[H:10],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-1-2-5-4-7/h2-4H,1H2/b5-2-",70.84921,22.11855,
9752,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]=[C:3]([C:4]([N:5]([C:6](=[O:7])[H:12])[H:8])([H:10])[H:11])[H:9],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-1-2-5-4-7/h1,4H,2H2,(H,5,7)",70.39139,12.37368,
9753,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-5-2-1-4(5)7/h3H,1-2H2",58.66948000000001,6.57693,ketoenol
9754,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[H:10][H:11].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C-:4]=[N+:5]=[C:6]([H:12])[O:7]1,"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H3NO2.H2/c6-4-1-2-5-3-7-4;/h3H,1H2;1H",95.68455,87.84715,
9755,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C-:4]([H:10])[N:5]([H:11])[C:6]([H:12])=[O+:7]1,"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h2-3,5H,1H2",75.52519000000001,43.847159999999995,
9756,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:9],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1",95.34937,34.77104,
9757,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]([H:12])[C-:6]=[O+:7]1,"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h5H,1-2H2",74.06658,32.2088,
9758,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[C:4](=[N:5][C:6](=[O:7])[H:12])([H:10])[H:11].[O:1]=[C:2]=[C:3]([H:8])[H:9],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C2H3NO.C2H2O/c1-3-2-4;1-2-3/h2H,1H2;1H2",56.29472,41.09668,
9759,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N+:5]([C-:4]([H:10])[H:11])=[C:6]([H:12])[O:7]1,"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c1-5-2-4(6)7-3-5/h3H,1-2H2",110.67003999999999,54.59353,
9760,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]([C:3]([C:4]([N+:5]#[C-:6])([H:10])[H:11])([H:8])[H:9])[O:7][H:12],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c1-5-3-2-4(6)7/h2-3H2,(H,6,7)",60.717240000000004,15.40668,
9761,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[C-:6]#[O+:7].[O:1]([C:2]([C:3](=[C:4]=[C:5]([H:11])[H:12])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C4H6O.CO/c1-2-3-4-5;1-2/h3,5H,1,4H2;",44.43055,-3.64132,
9762,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]=[C:2]([C:3]#[C:4][C:5]([C:6]([O:7][H:8])([H:10])[H:13])([H:11])[H:12])[H:9],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h5-6H,2,4H2",75.46624,-1.01603,
9763,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[C-:6]#[O+:7].[C:2](=[C:3]=[C:4]=[C:5]([H:11])[H:12])([H:9])[H:10].[O:1]([H:8])[H:13],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2",InChI=1S/C4H4.CO.H2O/c1-3-4-2;1-2;/h1-2H2;;1H2,68.46249,15.00213,
9764,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3]#[C:4][C:5]([H:11])([H:12])[C@:6]1([O:7][H:8])[H:13],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h5-6H,3-4H2/t5-/m0/s1",74.44057,33.18161,
9765,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([c:3]1[c:4]([H:11])[c:5]([H:12])[c:6]([H:13])[o:7]1)([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2",53.1458,-32.35398,
9766,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])/[C:3]1=[C:4]1\[C:5]([H:11])([H:12])[C@:6]1([O:7][H:8])[H:13],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-4-1-3(4)5-2-7-5/h4,6H,1-2H2/b5-3-/t4-/m1/s1",65.11882,31.762,
9767,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:4](=[C:3]=[C:2]([H:9])[H:10])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c1-2-5(7)3-4-6/h4,7H,1,3H2",67.16875,-4.45704,
9768,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C:4]=[C:5]([C:6](=[O:7])[H:13])[H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h2-4,7H,5H2",69.1291,-4.5919,
9769,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C+:2]([C:3](=[C-:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])[H:10])[H:9])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h2,4-6H,3H2",63.45678,42.39206,
9770,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[C:2](=[C:3]=[C:4]=[C:5]([C:6](=[O:7])[H:13])[H:11])([H:9])[H:10].[O:1]([H:8])[H:12],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H4O.H2O/c1-2-3-4-5-6;/h4-5H,1H2;1H2",61.926080000000006,13.767170000000002,
9771,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[H:10][H:12].[O:1]([C:2](=[C:3]=[C:4]=[C:5]([C:6](=[O:7])[H:13])[H:11])[H:9])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H4O2.H2/c6-4-2-1-3-5-7;/h2,4-5,7H;1H",75.30954,26.90813,
9772,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]#[C:4]/[C:5](=[C:6](/[O:7][H:12])[H:13])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h2,4,6-7H,5H2/b4-2+",61.01979,3.4437,ketoenol
9773,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[C:6]([H:13])[C:5]([H:11])([H:12])[C:4]1=[O:7])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-3-4-1-2-5(4)7/h1,6H,2-3H2",108.32936000000001,-13.89201,
9774,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C:4]=[C:5]([H:11])[H:12])[C:6](=[O:7])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h3,7H,1,4H2",54.70069,-7.222519999999999,
9775,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]#[C:4][C@@:6]1([H:13])[C:5]([H:11])([H:12])[O:7]1)([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-3-1-2-5-4-7-5/h5-6H,3-4H2/t5-/m0/s1",97.75515,23.24245,
9776,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[C:4]([H:13])[H:14])[H:12])([C:5]([C:6]([H:15])([H:16])[H:18])([C:7]([H:19])([H:20])[H:21])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-5-6(2)7(5,3)4/h5-6H,1-4H3/t5-,6+","InChI=1S/C7H14/c1-5-7(4)6(2)3/h5-7H,1H2,2-4H3/t7-/m0/s1",94.55301,-1.9155400000000002,
9777,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1=[C:6]([H:16])[H:18])([H:8])([H:9])[H:10].[C:7]([H:17])([H:19])([H:20])[H:21],"InChI=1S/C7H14/c1-5-6(2)7(5,3)4/h5-6H,1-4H3/t5-,6+","InChI=1S/C6H10.CH4/c1-4-5(2)6(4)3;/h5-6H,1H2,2-3H3;1H4/t5-,6+;",117.83023999999999,27.36781,
9778,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C:2][C:5]([C:3]([C:4]([H:13])([H:14])[H:15])([H:11])[H:12])([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-5-6(2)7(5,3)4/h5-6H,1-4H3/t5-,6+","InChI=1S/C7H14/c1-5-7(3,4)6-2/h5H2,1-4H3",69.16731,67.87937,
9779,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C:2]([C:5]([C:3](=[C:4]([H:13])[H:14])[H:12])([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])[H:11])([H:9])([H:10])[H:15],"InChI=1S/C7H14/c1-5-6(2)7(5,3)4/h5-6H,1-4H3/t5-,6+","InChI=1S/C7H14/c1-5-7(3,4)6-2/h5H,1,6H2,2-4H3",90.32715999999999,-3.27695,
9780,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3][C:4]([H:13])([H:14])[H:15])([C:5]([C:6]([H:16])([H:17])[H:18])([C:7]([H:19])([H:20])[H:21])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-5-6(2)7(5,3)4/h5-6H,1-4H3/t5-,6+","InChI=1S/C7H14/c1-5-7(4)6(2)3/h6-7H,1-4H3/t7-/m0/s1",69.9483,67.28517,
9781,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:9])[H:10].[H:8][H:11],"InChI=1S/C7H14/c1-5-6(2)7(5,3)4/h5-6H,1-4H3/t5-,6+","InChI=1S/C7H12.H2/c1-5-6(2)7(5,3)4;/h6H,1H2,2-4H3;1H/t6-;/m1./s1",116.58778000000001,37.74402,
9782,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3][H:12])([C:5]([C:4]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-5-6(2)7(5,3)4/h5-6H,1-4H3/t5-,6+","InChI=1S/C7H14/c1-6(2)7(3,4)5/h1,6H,2-5H3/t6-/m1/s1",100.64595,78.90934,
9783,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:5](=[C:3](/[C:4]([H:13])([H:14])[H:15])[H:12])[C:7]([H:19])([H:20])[H:21])([C:6]([H:16])([H:17])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-5-6(2)7(5,3)4/h5-6H,1-4H3/t5-,6+","InChI=1S/C7H14/c1-5-7(4)6(2)3/h5-6H,1-4H3/b7-5+",90.6028,-5.57598,
9784,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[C:4]([H:13])([H:14])[H:15])[H:12])[H:11])([H:8])([H:9])[H:10].[C:5]([C:6]([H:16])([H:17])[H:18])(=[C:7]([H:19])[H:20])[H:21],"InChI=1S/C7H14/c1-5-6(2)7(5,3)4/h5-6H,1-4H3/t5-,6+","InChI=1S/C4H8.C3H6/c1-3-4-2;1-3-2/h3-4H,1-2H3;3H,1H2,2H3/b4-3-;",107.49146,16.39614,
9785,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1](=[C:2]1\[C:3]([H:10])=[C:4]([O:5][H:11])[C:6]([H:8])([H:12])[O:7]1)\[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1,5-6H,2H2/b5-4+",91.01337,-2.32192,
9786,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C:2]#[C:3][C@:4]([O:5][H:11])([C:6](=[O:7])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-2-1-4(7)3-6/h3-4,7H,5H2/t4-/m0/s1",85.61954,36.94293,
9787,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[C:4](=[O:5])[C:6]([H:11])([H:12])[O:7]1)([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1H,2,5H2",52.4814,-15.194579999999998,ketoenol
9788,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C:2](=[C:3]=[C:4]([O:5][H:11])[C:6](=[O:7])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-2-1-4(7)3-6/h2-3,7H,5H2",66.10645,28.82287,
9789,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[C@@:4]([O:5][H:11])([H:12])[C-:6]=[O+:7]1)([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1,3,6H,5H2/t3-/m0/s1",63.46745,61.44995,Singlet_Carbene_Intra_Disproportionation
9790,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([O:5][H:11])=[C:6]([H:12])[O:7]1)\[H:8],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h2,5-6H,1H2/b5-4-",72.22931,4.466819999999999,
9791,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C:2]([C@@:3]1([H:10])[C:4]([O:5][H:11])=[C:6]1[H:12])=[O:7])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-4(7)2-1-3(2)6/h1-2,6H,(H2,5,7)/t2-/m1/s1",66.95279000000001,25.53207,ketoenol
9792,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C-:2]=[O+:7][C@@:6]1([H:12])[C:3]([H:10])=[C:4]1[O:5][H:11])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-2-7-4-1-3(4)6/h1,4,6H,5H2/t4-/m0/s1",119.41824,74.24656999999999,
9793,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C@:2]12[C:3]([H:10])=[C:4]([O:5][H:11])[C@@:6]1([H:12])[O:7]2)([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-4-1-2(6)3(4)7-4/h1,3,6H,5H2/t3-,4+/m1/s1",74.60988,58.924580000000006,Intra_2+2_cycloaddition_Cd
9794,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C:2]1=[C:3]=[C:4]([O:5][H:11])[C:6]([H:10])([H:12])[O:7]1)([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h6H,2,5H2",86.23481,28.66587,
9795,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C:2]1=[O+:7][C:6]([H:12])=[C:4]([O-:5])[C:3]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h2H,1,5H2",68.33328,26.0315,
9796,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N+:4]1([C:7]([H:18])([H:19])[H:20])[C:5]([H:15])([H:16])[C-:6]1[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C6H13N/c1-3-4-7(2)5-6-7/h5H,3-4,6H2,1-2H3",111.52162,59.43545,
9797,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:5](/[N:4]=[C:6](\[C:7]([H:18])([H:19])[H:20])[H:17])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C6H13N/c1-3-5-6-7-4-2/h4H,3,5-6H2,1-2H3/b7-4-",93.03426999999999,-13.82381,
9798,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[H:12][H:16].[N:4]1=[C:5]([H:15])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C3H5N.C3H6.H2/c1-3-2-4-3;1-3-2;/h2-3H,1H3;3H,1H2,2H3;1H/t3-;;/m1../s1",91.23906,52.91664,
9799,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N+:4]1([H:17])[C:5]([H:15])([H:16])[C-:6]1[C:7]([H:18])([H:19])[H:20])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h7H,3-5H2,1-2H3",74.49049000000001,51.58515,
9800,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C-:3]([N+:4]1=[C:5]([H:15])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C6H11N.H2/c1-3-4-7-5-6(7)2;/h4-6H,3H2,1-2H3;1H/t6-;/m1./s1",82.68863,69.35486,
9801,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N:4]=[C:5]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[C:7]([H:19])[H:20])([H:17])[H:18],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C4H9N.C2H4/c1-3-4-5-2;1-2/h2-4H2,1H3;1-2H2",96.17771,12.19117,
9802,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2]1([H:11])[C:3]([H:13])([H:14])[N+:4]12[C:5]([H:15])([H:16])[C@:6]2([C:7]([H:18])([H:19])[H:20])[H:17].[C:1]([H:8])([H:9])([H:10])[H:12],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C5H9N.CH4/c1-5-4-6(5)2-3-6;/h2,5H,3-4H2,1H3;1H4/t5-,6?;/m1./s1",101.09286,86.66282,
9803,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N+:4]1([H:15])[C-:5]([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h5-7H,3-4H2,1-2H3/t6-/m1/s1",65.06616,51.60065,
9804,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N+:4]([C-:5]([H:15])[H:16])=[C:6]([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C6H13N/c1-4-6-7(3)5-2/h5H,3-4,6H2,1-2H3",48.35567,28.81105,
9805,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17].[C:2]([H:10])[H:11],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C5H8O.CH2/c1-2-4-6-5-3-1;/h1-2H,3-5H2;1H2",120.7614,107.62727,
9806,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:13])=[C:5]=[C:6]([H:15])[C:7]1([H:16])[H:17].[H:12][H:14],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H8O.H2/c1-2-4-6-7-5-3-1;/h1,5H,2,4,6H2;1H",91.90984,53.089259999999996,
9807,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:2]([H:9])([H:10])[H:11])([C:7](/[C:6](=[C:5](\[C:4](=[O:3])[H:13])[H:14])[H:15])([H:16])[H:17])([H:8])[H:12],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4-",90.34735,-6.49179,
9808,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:2](=[O:3])[H:11])([C:7]([C:6]1([H:15])[C:4]([H:12])([H:13])[C:5]1([H:10])[H:14])([H:16])[H:17])([H:8])[H:9],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2",94.1828,3.01851,
9809,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C-:2]=[O+:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17].[H:10][H:11],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H8O.H2/c1-2-4-6-7-5-3-1;/h1,3H,2,4-5H2;1H",86.67653,71.74294,
9810,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1](=[C:2]([H:10])[H:11])([C:7](/[C:6](=[C:5](\[C:4]([O:3][H:9])([H:12])[H:13])[H:14])[H:15])([H:16])[H:17])[H:8],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2,4-5,7H,1,3,6H2/b5-4-",68.12009,9.186910000000001,
9811,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17].[C:4]([H:12])[H:13],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C5H8O.CH2/c1-2-4-6-5-3-1;/h2,4H,1,3,5H2;1H2",99.04222,102.85475,
9812,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])=[C:5]([H:14])[C:6]([H:15])=[C:7]1[H:17].[H:13][H:16],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H8O.H2/c1-2-4-6-7-5-3-1;/h1-3,5H,4,6H2;1H",60.97805,18.53042,
9813,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6][C:7]1([H:16])[H:17],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3-6H2",71.11363,70.91762,Singlet_Carbene_Intra_Disproportionation
9814,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17].[C:2](=[O:3])([H:10])[H:11],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C5H8.CH2O/c1-2-4-5-3-1;1-2/h1-2H,3-5H2;1H2",93.55148,7.786519999999999,
9815,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5][C:6]([H:14])([H:15])[C:7]1([H:16])[H:17],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1-3,5-6H2",67.74356999999999,68.00171999999999,Singlet_Carbene_Intra_Disproportionation
9816,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:16])[C:6]([H:15])=[C:7]1[H:17],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1-2H,3-6H2",80.66353000000001,0.03331,
9817,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:2]([O:3][C:4]([C:5](=[C:6]([H:8])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])(=[C:7]([H:16])[H:17])[H:9],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2",115.89511999999999,17.988220000000002,
9818,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C@:5]1([C:6](=[C:7]([H:16])[H:17])[H:15])[H:14],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-6-3-4-7-5-6/h2,6H,1,3-5H2/t6-/m0/s1",91.21126,1.16297,
9819,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1](=[C:2]([O:3][C:4]([C:5]([C:6](=[C:7]([H:16])[H:17])[H:15])([H:10])[H:14])([H:12])[H:13])[H:11])([H:8])[H:9],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-3-5-6-7-4-2/h3-4H,1-2,5-6H2",67.10547,14.11865,
9820,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:2]([O:3]/[C:4](=[C:5](\[C:6][H:15])[H:14])[H:12])([H:10])[H:11])([C:7]([H:13])([H:16])[H:17])([H:8])[H:9],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-3-5-7-6-4-2/h1,3,5H,4,6H2,2H3/b5-3-",115.15059,73.64896,
9821,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:2](=[O:3])[H:10])([C:7]([C:6]([C:5](=[C:4]([H:12])[H:13])[H:14])([H:11])[H:15])([H:16])[H:17])([H:8])[H:9],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2,6H,1,3-5H2",53.994659999999996,-2.8658099999999997,
9822,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1](=[C:7](/[C:6](=[C:5](\[C:4]([O:3][C:2]([H:10])([H:11])[H:16])([H:12])[H:13])[H:14])[H:15])[H:17])([H:8])[H:9],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-3-4-5-6-7-2/h3-5H,1,6H2,2H3/b5-4-",112.44006,17.50911,
9823,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C@@:6]([C:5](=[C:4]([H:12])[H:13])[H:14])([H:15])[C:7]1([H:16])[H:17],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-6-4-3-5-7-6/h2,6H,1,3-5H2/t6-/m1/s1",71.83204,-1.8062799999999999,
9824,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:7]([C:6](=[C:5]([C:4](=[O+:3][C-:2]([H:10])[H:11])[H:13])[H:14])[H:15])([H:16])[H:17])([H:8])([H:9])[H:12],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-3-4-5-6-7-2/h4-6H,2-3H2,1H3",99.9867,62.54878000000001,
9825,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:2]([O:3][C:4](/[C:5](=[C:6](\[C:7][H:16])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])([H:9])[H:17],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-3-5-6-7-4-2/h1,3,5H,4,6H2,2H3/b5-3-",96.70232,77.09876,
9826,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[O:5][C@:6]1([H:12])[C@@:7]2([C:4][H:11])[H:13],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-3-4-2-6-5(3)7-4/h1,3-5H,2H2/t3-,4-,5-/m0/s1",86.73373000000001,70.01889,
9827,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]([C:6]1=[C:7]([H:13])[C@:4]([C:3](=[O:2])[H:10])([H:11])[O:5]1)([H:8])([H:9])[H:12],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-5(3-6)7-4/h2-3,5H,1H3/t5-/m0/s1",81.26311,-19.76351,
9828,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]([H:11])([O+:5]=[C-:6]1)[C:7]2([H:12])[H:13],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-2-7-5-3-4(5)6-1/h4-5H,1,3H2/t4-,5+/m1/s1",76.56201999999999,35.21212,
9829,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C:3]([H:10])=[C:7]([H:13])[C@:6]1([O+:5]=[C-:4][H:11])[H:12],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-6-5-2-3-7-4-5/h1-3,5H,4H2/t5-/m1/s1",54.72967,23.153489999999998,
9830,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C-:1]1=[O+:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13].[H:8][H:9],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H4O2.H2/c1-2-3-4(6-1)5(3)7-2;/h2-5H;1H/t2-,3-,4+,5-;/m0./s1",84.69360999999999,69.31293000000001,
9831,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C-:1]([O+:2]=[C:3]([C@@:7]1([H:13])[C@@:4]2([H:11])[O:5][C@:6]21[H:12])[H:10])([H:8])[H:9],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-6-2-3-4-5(3)7-4/h2-5H,1H2/t3-,4+,5-",102.01049,86.55284,
9832,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]([H:11])([O:5]1)[C@:7]2([C:6][H:12])[H:13],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-3-4-5(3)7-2-6-4/h1,3-5H,2H2/t3-,4+,5-",107.17428000000001,60.08563,
9833,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]([O:2][C@@:3]1([H:10])[C@@:4]2([H:11])[O+:5]=[C-:6][C@@:7]12[H:13])([H:8])([H:9])[H:12],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-6-4-3-2-7-5(3)4/h3-5H,1H3/t3-,4+,5-/m0/s1",79.24098000000001,58.490680000000005,
9834,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C:3]([H:10])([H:13])[C:7]2=[C:4]([H:11])[O:5][C@@:6]12[H:12],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-7-5(4)3-6-1/h2,5H,1,3H2/t5-/m0/s1",63.578269999999996,4.22369,
9835,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:9])=[C:6]([H:12])[C:7]([H:8])([H:13])[C@@:3]([C:4](=[O:5])[H:11])([H:10])[O:2]1,"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1,3-5H,2H2/t5-/m1/s1",90.41553,-37.365140000000004,
9836,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C:3]([H:10])=[C:7]2[C:4]([H:11])([H:13])[O:5][C@@:6]12[H:12],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-7-5(4)3-6-1/h1,5H,2-3H2/t5-/m0/s1",62.76348,1.24406,
9837,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C-:1]1([H:9])[O+:2]=[C:3]([H:10])[C@:4]2([H:11])[O:5][C@@:6]1([H:12])[C:7]2([H:8])[H:13],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-6-3-5(1)7-4/h2-5H,1H2/t4-,5+",88.34806,37.63102,
9838,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C:3]([H:10])([H:11])[C@@:7]2([H:13])[C-:4]=[O+:5][C@@:6]12[H:12],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-7-5(4)3-6-1/h4-5H,1,3H2/t4-,5-/m0/s1",48.1835,21.69981,
9839,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O+:2]=[C-:3][C@@:7]2([H:13])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-7-5(4)3-6-1/h4-5H,2-3H2/t4-,5-/m0/s1",49.41885,19.32815,
9840,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O+:2]=[C-:3][C@@:4]2([H:11])[O:5][C@:6]1([H:12])[C:7]2([H:10])[H:13],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-6-3-5(1)7-4/h4-5H,1-2H2/t4-,5+/m1/s1",58.63204,29.53991,
9841,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C-:4]=[O+:5][C@:6]1([H:12])[C:7]2([H:11])[H:13],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-6-5(1)3-7-4/h4-5H,1-2H2/t4-,5-/m1/s1",57.10406,13.229410000000001,
9842,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C@:4]2([H:11])[C:3]([H:10])=[C:7]([H:13])[C@@:6]1([H:12])[O:5]2,"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-2-5-6-3-4(1)7-5/h1-2,4-5H,3H2/t4-,5+/m1/s1",36.27445,-25.15139,
9843,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1](=[C:6]1[O:5][C@@:4]([C:3](=[O:2])[H:10])([H:11])[C:7]1([H:12])[H:13])([H:8])[H:9],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-5(3-6)7-4/h3,5H,1-2H2/t5-/m0/s1",81.25676,-23.51727,
9844,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:13])[O:5][C@:6]1([H:12])[C:7]2,"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-6-5(1)3-7-4/h4-5H,2-3H2/t4-,5-/m1/s1",62.76259,51.57047,
9845,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C@:3]2([H:10])[C@:4]([H:11])([O:5][C:6]1([H:12])[H:13])[C:7]2,"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-2H2/t4-,5+",79.92535,71.5469,
9846,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C-:1]([O+:2]=[C:3]([C@@:4]1([H:11])[O:5][C:6]([H:12])=[C:7]1[H:13])[H:10])([H:8])[H:9],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-6-4-5-2-3-7-5/h2-5H,1H2/t5-/m0/s1",71.95634,56.05579,
9847,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C-:1](=[O+:2][C@@:3]1([H:10])[C@@:4]2([H:11])[O:5][C:6]([H:8])([H:12])[C@@:7]12[H:13])[H:9],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-6-4-3-2-7-5(3)4/h1,3-5H,2H2/t3-,4+,5-/m0/s1",93.29988,64.36914,
9848,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]([C@:6]1([H:12])[O:5][C@:4]2([H:11])[C@@:3]([O:2][H:9])([H:10])[C@@:7]21[H:13])[H:8],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-2-3-4(6)5(3)7-2/h1-6H/t2-,3-,4+,5-/m0/s1",78.71459,73.86694,
9849,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C-:5]([H:13])[N+:6]2([H:12])[H:14])[C:7]1([H:15])[H:16])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h3-4,7H,1-2,6H2/t4-,5+",64.42245,51.06154,
9850,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C:2]([C:7]([C@@:4]12[C-:3]([H:11])[N+:6]1([H:14])[C:5]2([H:12])[H:13])([H:15])[H:16])([H:9])[H:10])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c7-2-1-5-3-6(5)4-5/h3,6-7H,1-2,4H2/t5-/m0/s1",83.67095,67.78981,
9851,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[C:2]1([H:9])=[C:7]([H:15])[C@:4]2([C:3]1([H:10])[H:11])[C:5]([H:12])([H:13])[N:6]2[H:14].[O:1]([H:8])[H:16],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H7N.H2O/c1-2-5(3-1)4-6-5;/h1-2,6H,3-4H2;1H2/t5-;/m0./s1",67.67406,16.36836,"1,3_Insertion_ROR"
9852,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C:2]([C:3]([C@@:4]1([C:7][H:16])[C:5]([H:12])([H:13])[N:6]1[H:14])([H:10])[H:11])([H:9])[H:15])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c1-5(2-3-7)4-6-5/h1,6-7H,2-4H2/t5-/m0/s1",85.79404,63.664080000000006,
9853,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C@@:2]([C:3]([H:10])([H:11])[H:12])([C:7]([C:4]1=[C:5]([H:13])[N:6]1[H:14])([H:15])[H:16])[H:9])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c1-4(7)2-5-3-6-5/h3-4,6-7H,2H2,1H3/t4-/m0/s1",112.27351000000002,28.33847,
9854,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[C:3]1([H:10])([H:11])[C:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16].[O:1]([C:2][H:9])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C4H7N.CH2O/c1-2-4(1)3-5-4;1-2/h5H,1-3H2;1-2H",109.18406999999999,80.79432,
9855,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:5]([H:12])([H:13])/[C:4](=[N:6]/[H:14])[C:7]1([H:15])[H:16])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c6-4-1-2-5(7)3-4/h5-7H,1-3H2/b6-4-/t5-/m0/s1",76.90288000000001,-39.39707,
9856,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C+:4]([N:6]([C-:5]([H:12])[H:13])[H:14])[C:7]1([H:15])[H:16])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c1-6-4-2-5(7)3-4/h5-7H,1-3H2",51.460570000000004,26.4202,
9857,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]([N:6]([C:5][H:12])[H:14])([H:13])[C:7]1([H:15])[H:16])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c1-6-4-2-5(7)3-4/h1,4-7H,2-3H2/t4-,5+",70.43502,30.016009999999998,
9858,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[C:5](=[N:6][H:14])([H:12])[H:13].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:15])=[C:7]1[H:16])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C4H6O.CH3N/c5-4-2-1-3-4;1-2/h1-2,4-5H,3H2;2H,1H2/t4-;/m1./s1",97.45004,14.20299,
9859,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[H:8][H:16].[O:1]=[C:2]([C@@:7]1([H:15])[C:3]([H:10])([H:11])[C@:4]12[C:5]([H:12])([H:13])[N:6]2[H:14])[H:9],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H7NO.H2/c7-2-4-1-5(4)3-6-5;/h2,4,6H,1,3H2;1H/t4-,5+;/m1./s1",96.95891,26.85241,
9860,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])/[C:4](=[N:6]/[C:5]([H:12])([H:13])[H:14])[C:7]1([H:15])[H:16])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c1-6-4-2-5(7)3-4/h5,7H,2-3H2,1H3/b6-4-",60.22062,-15.45266,
9861,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C:2][C:3]([C@@:4]1([C:7]([H:9])([H:15])[H:16])[C:5]([H:12])([H:13])[N:6]1[H:14])([H:10])[H:11])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c1-5(2-3-7)4-6-5/h6-7H,2,4H2,1H3/t5-/m0/s1",67.5375,35.071329999999996,
9862,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:6]([H:14])[C:5]([H:12])([H:13])[C:4][C:7]1([H:15])[H:16])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c7-5-2-1-3-6-4-5/h5-7H,2-4H2/t5-/m1/s1",93.86698,44.63058,
9863,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[C+:5][H:15])[O-:6])([H:12])[H:13])([C:7]([H:14])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-5(2)4-6(3)7/h3,5H,4H2,1-2H3",104.10979,44.66146,
9864,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:5]([H:14])([H:15])[O+:6]=[C-:4][C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-6-2-4-7-5-3-6/h6H,2-4H2,1H3/t6-/m0/s1",92.62284,22.11149,
9865,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5][H:15])([O:6][H:14])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-5-3-6(2,7)4-5/h2,5,7H,3-4H2,1H3/t5-,6+",71.71101,67.1424,
9866,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])[H:9].[H:10][H:11],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+",InChI=1S/C6H8O.H2/c1-5-2-6(3-5)4-7-6;/h1-4H2;1H,120.90857,31.1468,
9867,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4]1(=[C:7]([H:16])[H:17])[C:5]([H:14])([H:15])[O:6]1,"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C3H4O.C3H6/c1-3-2-4-3;1-3-2/h1-2H2;3H,1H2,2H3",100.77488000000001,26.88826,
9868,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@@:4]1([C:7][H:16])[C:5]([H:14])([H:15])[O:6]1)([H:12])[H:13])([H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-3-4-6(2)5-7-6/h2H,3-5H2,1H3/t6-/m0/s1",81.75715,71.49009000000001,
9869,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5](=[O:6])[H:15])([H:14])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-5-2-6(3-5)4-7/h4-6H,2-3H2,1H3/t5-,6+",59.038999999999994,-19.38839,
9870,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]2([H:11])[C:3]([H:12])([H:13])[C@:4]3([C:5]([H:14])([H:15])[O:6]3)[C@@:7]12[H:16].[H:10][H:17],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H8O.H2/c1-4-2-6(3-7-6)5(1)4;/h4-5H,1-3H2;1H/t4-,5-,6-;/m0./s1",119.42052,38.40782,
9871,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([O+:6]=[C-:5][H:14])([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-5-3-6(4-5)7-2/h2,5-6H,3-4H2,1H3/t5-,6+",78.13904000000001,47.08903,
9872,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4](=[C:5]([H:14])[H:15])[C:7]1([H:16])[H:17])([O:6][H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-5-2-6(3-5)4-7/h6-7H,1-4H2",112.33774,-5.76286,
9873,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C-:5]=[O+:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H8O.H2/c1-5-2-6(3-5)4-7-6;/h5H,2-3H2,1H3;1H/t5-,6+;",89.80326,63.4305,
9874,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:13])=[C:4]([H:12])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10].[C:5](=[O:6])([H:14])[H:15],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C5H8.CH2O/c1-5-3-2-4-5;1-2/h2-3,5H,4H2,1H3;1H2/t5-;/m0./s1",82.10173,14.85101,
9875,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C:7]([C@:4]1([C:3]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[O:6]1)([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-3-4-6(2)5-7-6/h4-5H2,1-2H3/t6-/m1/s1",79.62479,63.67783000000001,
9876,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@@:2]([C:6]#[C:7][H:13])([H:11])[O:3]1.[C:4](=[O:5])([H:9])[H:12],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C4H4O.CH2O/c1-2-4-3-5-4;1-2/h1,4H,3H2;1H2/t4-;/m0./s1",118.16625,52.97894,
9877,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]=[C:7]([C:4]1([H:12])[O:3][O:5]1)[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-2-3-4-5-6-7-5/h2,4-5H,1H3",115.6614,74.5267,
9878,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4](=[O:5])[H:12])=[C:6]=[C:7]([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h4H,1H2,2H3",64.00565999999999,-1.3137,
9879,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O+:3]=[C-:4][O:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,5-6H,2H3/t5-/m1/s1",76.77405999999999,43.875890000000005,
9880,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]=[C:7]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[O:3]=[C:4]=[O:5],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C4H6.CO2/c1-3-4-2;2-1-3/h4H,1H2,2H3;",47.84987,-25.27962,Retroene
9881,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:6](/[O:5][C:4](=[O:3])[H:12])[C:7][H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h2-4H,1H3/b5-3+",62.15772,54.78442,
9882,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])[H:10].[C:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])([H:9])[H:11],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C4H4O2.CH2/c1-2-3-6-4-5;/h1,4H,3H2;1H2",110.90818,115.14352,"1,2_Insertion_carbene"
9883,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:7](=[C:6])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h3-5H,2H3/t5-/m1/s1",57.209869999999995,49.02041,Singlet_Carbene_Intra_Disproportionation
9884,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:6]#[C:7][H:13])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:11])[H:12],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C4H4O.CH2O/c1-3-4(2)5;1-2/h1H,2H3;1H2",71.50541,25.37924,
9885,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][C:4](=[O:5])[H:12])=[C:6](\[C:7][H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,3-4H,2H3/b5-3+",75.2632,51.94755,
9886,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([O:3][C:4](=[O:5])[H:12])([H:11])[C:6]1=[C:7]([H:9])[H:13],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-4-2-5(4)7-3-6/h3,5H,1-2H2/t5-/m1/s1",96.98918,5.2123,
9887,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]=[C:7]([O:5][C:4](=[O:3])[H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-2-3-4-7-5-6/h2,4-5H,1H3",42.28367,1.1657,
9888,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10].[O:3]=[C:4]=[O:5],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C4H6.CO2/c1-4-2-3-4;2-1-3/h2-4H,1H3;",76.43841,-3.05893,
9889,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C-:2]([O+:3]=[C:4]([O:5][C:6]#[C:7][H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-3-6-5-7-4-2/h1,4-5H,2H3",111.5032,98.00771,
9890,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([C:6]#[C:7][H:13])([H:8])[H:10].[C:4](=[O:5])([H:9])[H:12],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C4H4O.CH2O/c1-2-3-4-5;1-2/h1,4H,3H2;1H2",116.51073999999998,29.272809999999996,
9891,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:4](/[C:3](=[N:6]/[C:7]([H:13])([H:14])[H:15])[H:12])=[N:5]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-4-5(7-4)3-6-2/h3-4H,1-2H3/b6-3+/t4-/m1/s1",74.80606999999999,21.851879999999998,
9892,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N+:6]1([C:7]([H:13])([H:14])[H:15])[C-:2]([H:11])[C@:3]1([C:4]#[N:5])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-7(2)4-5(7)3-6/h4-5H,1-2H3/t5-/m1/s1",109.78272,59.22651,
9893,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]=[N:5][N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-5-3-4-6-7(5)2/h3,5H,1-2H3/t5-/m0/s1",105.36596999999999,67.94783000000001,
9894,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@@:2]2([H:11])[C@@:3]([H:12])(/[C:4]1=[N:5]/[H:8])[N:6]2[C:7]([H:13])([H:14])[H:15],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-7-4-2-3(6)5(4)7/h4-6H,2H2,1H3/b6-3+/t4-,5+,7?/m0/s1",104.4909,27.0609,
9895,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]1[C@:3]([C:4]#[N:5])([H:12])[N+:6]1([C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h5,7H,1-2H3/t5-/m1/s1",76.86725,52.63601,
9896,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3](=[C:4]=[N:5][H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4,6H,1-2H3/t4-,7?/m0/s1",108.18991000000001,35.464290000000005,
9897,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C@:3]([C-:4]=[N:5][H:11])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h5-6H,1-2H3/t5-,7?/m1/s1",139.58418,91.1533,
9898,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([N:6]([C:3](=[C:4]=[N:5][H:10])[H:12])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])[H:9],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-3-7(2)5-4-6/h3,5-6H,1H2,2H3",57.836999999999996,19.50004,
9899,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([N+:5]#[C-:4])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-4-5(6-2)7(4)3/h4-5H,1,3H3/t4-,5-,7?/m0/s1",58.841190000000005,21.30636,
9900,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N+:6]([C-:7]([H:14])[H:15])[C@@:3]1([C:4]#[N:5])[H:12])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H6N2.H2/c1-4-5(3-6)7(4)2;/h5H,2H2,1H3;1H/t5-;/m1./s1",85.53616,72.04571999999999,
9901,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]=[N:5][C:7]([H:13])([H:15])[N:6]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-5-2-3-6-4-7-5/h2,5,7H,4H2,1H3/t5-/m0/s1",82.12102,28.677940000000003,
9902,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([C:4]#[N:5])=[N+:6]1[C-:7]([H:14])[H:15])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H6N2.H2/c1-4-5(3-6)7(4)2;/h4H,2H2,1H3;1H/t4-;/m0./s1",82.49291,64.73068,
9903,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:6]/[C@@:3]([C:4]#[N:5])([C:7]([H:13])([H:14])[H:15])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-3-7-5(2)4-6/h3,5H,1-2H3/b7-3+/t5-/m1/s1",94.57094000000001,-17.25913,
9904,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]([H:12])[N+:6]1([C:4]#[N:5])[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-5-3-7(5,2)4-6/h3,5H,1-2H3/t5-,7?/m0/s1",79.97229,70.38762,
9905,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:6](=[C:3]([C:4]#[N:5])[H:12])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-3-7(2)5-4-6/h3,5H,1-2H3",42.59382,11.65475,
9906,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[N:6]([C:7]([H:13])([H:14])[H:15])[C:3]([H:12])=[C:4]=[N:5]1,"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-7-4-2-6-3-5-7/h5H,2,4H2,1H3",89.76590999999999,39.54272,
9907,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:6]=[C:3](/[C:4]#[N:5])[H:12])([C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-5(2)7-4-3-6/h4-5H,1-2H3/b7-4+",92.7426,-13.976920000000002,
9908,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([N:6]([C@@:3]1([H:12])[C:4]([H:10])=[N:5]1)[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])[H:9],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-3-7(2)5-4-6-5/h3-5H,1H2,2H3/t5-/m0/s1",87.88105,34.06258,
9909,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2]1([H:11])=[N+:6]([C-:7]([H:14])[H:15])[C@@:3]1([C:4]#[N:5])[H:12],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C4H4N2.CH4/c1-6-3-4(6)2-5;/h3-4H,1H2;1H4/t4-;/m1./s1",103.80479,64.40558,
9910,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])/[C:4](=[N:5]/[C:7]([H:13])([H:14])[H:15])[N:6]12)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-3-4-5(6-2)7(3)4/h3-4H,1-2H3/b6-5-/t3-,4-,7?/m0/s1",116.21875,36.26896,
9911,[N:1]#[C:2][C:3]12[C:4]([H:8])([H:9])[C:5]([H:10])([C:6]1([H:11])[H:12])[O:7]2,[N+:1](#[C-:2])[C:3]12[C:4]([H:8])([H:9])[C:5]([H:10])([C:6]1([H:11])[H:12])[O:7]2,"InChI=1S/C5H5NO/c6-3-5-1-4(2-5)7-5/h4H,1-2H2","InChI=1S/C5H5NO/c1-6-5-2-4(3-5)7-5/h4H,2-3H2",57.54229,17.89754,
9912,[N:1]#[C:2][C:3]12[C:4]([H:8])([H:9])[C:5]([H:10])([C:6]1([H:11])[H:12])[O:7]2,[N:1]#[C:2][C@@:3]1([C:6]([C:5][H:10])([H:11])[H:12])[C:4]([H:8])([H:9])[O:7]1,"InChI=1S/C5H5NO/c6-3-5-1-4(2-5)7-5/h4H,1-2H2","InChI=1S/C5H5NO/c1-2-5(3-6)4-7-5/h1H,2,4H2/t5-/m0/s1",93.52812,53.55753000000001,
9913,[N:1]#[C:2][C:3]12[C:4]([H:8])([H:9])[C:5]([H:10])([C:6]1([H:11])[H:12])[O:7]2,[N:1]#[C:2][C:6]([C@@:5]1([H:10])[C:4]([H:8])([H:9])[C-:3]=[O+:7]1)([H:11])[H:12],"InChI=1S/C5H5NO/c6-3-5-1-4(2-5)7-5/h4H,1-2H2","InChI=1S/C5H5NO/c6-3-1-5-2-4-7-5/h5H,1-2H2/t5-/m0/s1",68.90039,9.91467,
9914,[N:1]#[C:2][C:3]12[C:4]([H:8])([H:9])[C:5]([H:10])([C:6]1([H:11])[H:12])[O:7]2,[N:1]#[C:2][C:3](=[C:4]([H:8])[H:9])[C:6]([C:5](=[O:7])[H:10])([H:11])[H:12],"InChI=1S/C5H5NO/c6-3-5-1-4(2-5)7-5/h4H,1-2H2","InChI=1S/C5H5NO/c1-5(4-6)2-3-7/h3H,1-2H2",42.39548,-47.59957,
9915,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[C:3](=[C:4]([H:13])[H:14])([H:11])[H:12].[N:1](=[C:2](\[C:6]#[N:7])[H:10])\[H:8].[O:5]([H:9])[H:15],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C2H2N2.C2H4.H2O/c3-1-2-4;1-2;/h1,3H;1-2H2;1H2/b3-1-;;",76.28178,33.04526,
9916,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N:1]([C:2](=[C:6]=[N:7][C@:4]([C:3]([H:11])([H:12])[H:14])([O:5][H:15])[H:13])[H:10])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H8N2O/c1-4(7)6-3-2-5/h2,4,7H,5H2,1H3/t4-/m0/s1",96.78755,24.44623,
9917,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][N:7]([H:15])[C:6]1)([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H8N2O/c5-4-1-2-7-6-3-4/h4,6H,1-2,5H2/t4-/m0/s1",85.69274,73.03718,
9918,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N:1]([N:7]=[C:6]=[C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H8N2O/c5-6-3-1-2-4-7/h1,7H,2,4-5H2",104.35585999999999,44.2772,
9919,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[C:2](=[C:3](/[C:4]([O:5][H:15])([H:13])[H:14])[H:11])(\[C:6]#[N:7])[H:10].[N:1]([H:8])([H:9])[H:12],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H5NO.H3N/c5-3-1-2-4-6;/h1-2,6H,4H2;1H3/b2-1+;",66.27508,10.211219999999999,"1,3_NH3_elimination"
9920,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N:1]([C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])=[C:6]=[N:7][H:10])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h5,7H,1-2,6H2",84.6872,24.50562,
9921,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5]/[C:6]1=[N:7]\[H:15])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H8N2O/c5-3-1-2-7-4(3)6/h3,6H,1-2,5H2/b6-4-/t3-/m0/s1",59.43723000000001,-7.814189999999999,
9922,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]([O:5][H:15])([H:14])[N:7]([H:13])[C:6]1)([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H8N2O/c5-3-1-4(7)6-2-3/h3-4,6-7H,1,5H2/t3-,4-/m0/s1",91.20313,36.41384,
9923,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[H:9][H:12].[N:1](=[C:2](\[C@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:11])[H:10])\[H:8],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H6N2O.H2/c5-1-4(2-6)3-7;/h1,4-5,7H,3H2;1H/b5-1-;/t4-;/m0./s1",121.24731000000001,25.76306,
9924,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[C:4]([O:5][H:15])[H:13].[N:1]([C@@:2]([C:3]([H:11])([H:12])[H:14])([C:6]#[N:7])[H:10])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C3H6N2.CH2O/c1-3(5)2-4;1-2/h3H,5H2,1H3;1-2H/t3-;/m0./s1",87.04351,68.89536,
9925,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])[H:9].[O:5]([H:10])[H:15],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H6N2.H2O/c5-3-4(6)1-2-4;/h1-2,6H2;1H2",90.18731,15.231079999999999,
9926,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[C:3](=[C:4]([O:5][H:15])[H:13])([H:11])[H:12].[N:1]([C:2](=[C:6]=[N:7][H:14])[H:10])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C2H4N2.C2H4O/c3-1-2-4;1-2-3/h1,4H,3H2;2-3H,1H2",68.04375999999999,44.17778,Retroene
9927,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])/[C:6]1=[N:7]\[O:5][H:15])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H8N2O/c5-3-1-2-4(3)6-7/h3,7H,1-2,5H2/b6-4+/t3-/m0/s1",128.01369,43.01039,
9928,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]1=[C:7]([H:18])[O:6][C:5]1([H:16])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:19],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C6H10O.H2/c1-2-3-6-4-7-5-6;/h4H,2-3,5H2,1H3;1H",114.28793999999999,31.299120000000002,
9929,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[C:7]([H:18])[H:19])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[O:6])([H:16])[H:17],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C5H10.CH2O/c1-3-5-4-2;1-2/h3H,1,4-5H2,2H3;1H2",67.61261999999999,6.9815,2+2_cycloaddition
9930,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:15])=[C:7]([H:19])[O:6][C:5]1([H:16])[H:17].[H:12][H:18],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C3H4O.C3H6.H2/c1-2-4-3-1;1-3-2;/h1-2H,3H2;3H,1H2,2H3;1H",100.4203,54.49867,
9931,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:6][C:7]([C:4](=[C:5]([H:16])[H:17])[H:15])([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3",120.3542,1.70111,
9932,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@:3]1([H:14])[C@:4]2([H:15])[C@@:5]1([H:17])[O:6][C:7]2([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C6H10O.H2/c1-2-4-5-3-7-6(4)5;/h4-6H,2-3H2,1H3;1H/t4-,5-,6+;/m1./s1",112.03728000000001,39.73928,
9933,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])[H:11])([H:9])[H:10].[H:8][H:12],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C6H10O.H2/c1-2-3-6-4-7-5-6;/h2,6H,1,3-5H2;1H",114.1541,30.740140000000004,
9934,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@:4]1([H:15])[C-:5]=[O+:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C6H10O.H2/c1-2-3-6-4-7-5-6;/h6H,2-4H2,1H3;1H/t6-;/m0./s1",85.07898,66.86169,
9935,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4][C:5]([O:6][C:7]([H:15])([H:18])[H:19])([H:16])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-4-5-6-7-2/h3-4,6H2,1-2H3",85.85526999999999,67.62227,
9936,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@:4]([C:5][H:16])([C:7]([O:6][H:17])([H:18])[H:19])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-4-6(2)5-7/h2,6-7H,3-5H2,1H3/t6-/m0/s1",77.50229,74.51146999999999,
9937,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([O-:5])=[C+:6][O:7][H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h1H3,(H-,5,6,7)",79.98934,45.699020000000004,
9938,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:10])([C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])[H:9],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c5-2-1-4(7)3-6/h2-3H,1H2",81.71866999999999,0.52268,
9939,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[O+:5]=[C:4]=[C:6]([O-:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-4(6)7-3-2-5/h2H,1H3",60.40701,46.683609999999994,
9940,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O+:7]=[C-:6][H:11])[O:3][C:4]1=[O:5])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-4(6-2)3(5)7-4/h2H,1H3/t4-/m0/s1",83.49464,71.67605999999999,
9941,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C-:4]#[O+:5].[C:1]([C:2](=[O:3])[O+:7]=[C-:6][H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C3H4O2.CO/c1-3(4)5-2;1-2/h2H,1H3;",65.35972,46.45049,
9942,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C-:2]=[O+:3][C@:6]1([H:11])[C:4](=[O:5])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-2-6-4-3(5)7-4/h4H,1H3/t4-/m0/s1",79.96446999999999,68.42109,
9943,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@:2]([C:4](=[O:5])[C:6](=[O:7])[H:11])([H:10])[O:3]1,"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c5-1-3(6)4-2-7-4/h1,4H,2H2/t4-/m0/s1",92.37645,23.27505,
9944,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O-:3])=[C:4]=[O+:5][C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-4(6)2-7-3-5/h3H,1H3",57.4872,43.16625,
9945,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:10])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])[H:9],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2,6H,1H2",66.94174,8.154580000000001,ketoenol
9946,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([O:5][C:4](=[C:2]=[O:3])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-7-4(2-5)3-6/h2H,1H3",98.26536,19.71123,ketoenol
9947,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]1[O:3][C@:6]([O:7][H:10])([H:11])[C:4]1=[O:5])([H:8])[H:9],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-2-3(5)4(6)7-2/h4,6H,1H2/t4-/m1/s1",60.88089,14.01805,
9948,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([O-:3])=[C+:4][O:5][H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C3H4O2.CO/c1-3(5)2-4;1-2/h1H3,(H-,4,5);",54.941069999999996,43.65699,
9949,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[O:7][C:6](=[C:4]=[O:5])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-4(6)7-3-2-5/h3H,1H3",57.03106999999999,-3.4411099999999997,ketoenol
9950,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:6](=[O:7])[H:11])=[C:4]=[O:5])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-4(2-5)7-3-6/h3H,1H3",53.44316,1.88077,ketoenol
9951,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C:4](=[O:5])[C:6](=[O:7])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-2-7-4(6)3-5/h2-3H,1H2",81.75005999999999,7.29177,
9952,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]=[O:3])([H:8])[H:9].[C:4](=[O:5])=[C:6]([O:7][H:10])[H:11],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C2H2O2.C2H2O/c3-1-2-4;1-2-3/h1,3H;1H2",58.778980000000004,33.02107,Retroene
9953,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]12[O:3][C:6]([H:11])([C:4]1=[O:5])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-4-2(5)3(6-4)7-4/h3H,1H3",62.871990000000004,49.6228,
9954,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]2([O:3]1)[C:4](=[O:5])[C:6]([H:10])([H:11])[O:7]2,"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3",InChI=1S/C4H4O3/c5-3-1-6-4(3)2-7-4/h1-2H2,106.24741999999999,31.87295,
9955,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C-:4]([N+:5]1=[C:6]([H:14])[C:7]1([H:15])[H:16])[H:11])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H7N.H2/c1-2-3-4-7-5-6-7;/h4-5H,6H2,1H3;1H",79.69509000000001,64.53416999999999,
9956,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:15])[C:3][C:4]([H:11])([H:12])[N:5]2[C:6]([H:13])([H:14])[C@:7]12[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H9N/c1-5-2-3-7-4-6(5)7/h5-6H,3-4H2,1H3/t5-,6+,7?/m0/s1",74.29014000000001,40.67848,
9957,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]([C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])[H:9])([H:8])[H:10],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h3H,1,4-6H2",81.92042,2.23012,
9958,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([N+:5]([C-:6]([H:13])[H:14])=[C:7]([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H9N/c1-4-5-6-7(2)3/h2-3,6H2,1H3",49.16485,25.20407,
9959,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]/[C:3](=[C:4](\[N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h3-4H,5-6H2,1H3/b4-3-",72.2914,44.53614,
9960,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([N+:5]1([H:13])[C-:6]([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h5,7H,4,6H2,1H3",66.68205999999999,52.16558,
9961,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3])[C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H9N/c1-6(2)5-7-3-4-7/h3-5H2,1H3",55.15877,50.04215,
9962,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h2,4H,5-6H2,1H3",75.6569,-0.52553,
9963,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]=[C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])[H:11])([H:8])[H:10].[H:9][H:12],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H7N.H2/c1-2-3-4-7-5-6-7;/h4H,1,5-6H2;1H",81.53435,35.837309999999995,
9964,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C+:1]([C:2](=[C-:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])[H:9])([H:8])[H:10],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h2H,1,4-6H2",82.26608,58.07195,
9965,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:12])[C@:4]1([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H9N/c1-5-4-6(5)7-2-3-7/h4,6H,2-3H2,1H3/t6-/m1/s1",54.53422,14.34826,
9966,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([H:11])[H:12])[H:16])([H:8])([H:9])[H:10].[N:5]1=[C:7]([H:15])[C:6]1([H:13])[H:14],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C4H6.C2H3N/c1-3-4-2;1-2-3-1/h4H,1H2,2H3;1H,2H2",55.926919999999996,22.753239999999998,Retroene
9967,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:12])[H:11])([H:8])[H:10].[C:4](=[O:5])=[C:6]=[C:7]([H:9])[H:13],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C3H2O.C2H4O/c1-2-3-4;1-2-3/h1H2;2-3H,1H2",56.62347,27.36898,Retroene
9968,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:4](=[O:5])/[C:6]1=[C:7](/[O:3][H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-4(2-6)5(3)7/h2-3,6H,1H3/b4-2+/t3-/m0/s1",73.98841,8.78955,
9969,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])[H:10].[O:3]([H:9])[H:12],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H4O.H2O/c1-3-5(6)4-2;/h1,4H,2H2;1H2",69.93502,14.42225,"1,3_Insertion_ROR"
9970,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:11])=[C:4](/[O:5][H:12])[C:6]#[C:7][H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,6-7H,2H3/b5-4-",65.91568000000001,4.18394,ketoenol
9971,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:12])[C:4]([O:5][H:9])=[C:6]=[C:7]([H:11])[H:13])([H:8])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h6-7H,1-2H2",112.30541000000001,7.68619,
9972,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,5,7H,2H3/t5-/m0/s1",40.4632,-1.32851,
9973,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C-:4]=[O+:5][C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-7-4-5(2)6/h1,5-6H,2H3/t5-/m1/s1",105.80658000000001,78.50881,
9974,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:4]([C:2](=[O:3])[H:11])([O:5][H:12])[C:6]#[C:7][H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-5(2,7)4-6/h1,4,7H,2H3/t5-/m1/s1",49.2294,3.57384,
9975,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:6](=[C:7]([H:12])[H:13])[C:4]1=[O:5])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-5(6)4(2)7-3/h4H,1H2,2H3/t4-/m1/s1",70.29908,-11.25891,
9976,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](=[O:5])=[C:6]=[C:7]([H:12])[H:13],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C3H2O.C2H4O/c1-2-3-4;1-2-3/h1H2;2H,1H3",43.428290000000004,16.584989999999998,Retroene
9977,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](=[C:6])[C:7](=[O:5])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-4(3-6)5(2)7/h3,5,7H,2H3/t5-/m1/s1",73.09007,50.72334,
9978,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([N:5]([H:13])[H:14])([H:11])[H:12])=[C:6]=[O:7])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c5-1-4(2-6)3-7/h6H,1-2,5H2",100.63989000000001,-9.81535,
9979,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3][N:5]([C:4]([C:6](=[O:7])[H:14])([H:11])[H:12])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-5-2-4-7/h3,5,7H,1,4H2",75.50025,32.675709999999995,
9980,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C:4]([N:5]([C+:3]=[C:6]([O-:7])[H:14])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-5-2-4-7/h4-6H,1,3H2",97.21491,23.082720000000002,
9981,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](/[C:4](=[N:5]\[H:13])[H:11])=[C:6](/[O:7][H:12])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c5-1-4(2-6)3-7/h1-2,5-7H,3H2/b4-2+,5-1-",69.90663,-5.20435,
9982,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[C-:6]#[O+:7].[O:1]([C:2]([C:3](=[C:4]([H:11])[H:12])[N:5]([H:13])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C3H7NO.CO/c1-3(4)2-5;1-2/h5H,1-2,4H2;",86.46469,-13.59285,
9983,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[H:11][H:14].[O:1]([C:2]([C@@:3]1([C:6]#[O+:7])[C-:4]([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO2.H2/c6-2-4(3-7)1-5-4;/h1,5-6H,2H2;1H/t4-;/m1./s1",127.92705,88.59192,
9984,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([C:6][O:7][H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h5-7H,1-2H2/t4-/m1/s1",78.96030999999999,50.86107,
9985,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[C:2](=[C:3]1[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10].[O:1]([C:6](=[O:7])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C3H5N.CH2O2/c1-3-2-4-3;2-1-3/h4H,1-2H2;1H,(H,2,3)",71.86214,11.65086,
9986,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@:3]2([C:4]([H:11])([H:12])[N:5]2[H:13])[C@:6]1([O:7][H:8])[H:14],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c6-3-4(1-5-4)2-7-3/h3,5-6H,1-2H2/t3-,4+/m0/s1",55.2787,15.56223,
9987,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C-:4]([H:12])[N+:5]1([H:11])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h1-2,7H,3,5H2/t4-/m0/s1",66.05802,51.36264,
9988,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[N:5]\[C:4]([H:11])([H:12])[H:13])[C:6](=[O:7])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c1-5-4(2-6)3-7/h2,7H,3H2,1H3/b5-4-",66.16849,-5.78295,
9989,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[C-:6]#[O+:7].[O:1]([C:2](/[C:3]([C:4]([H:11])([H:12])[H:14])=[N:5]/[H:13])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C3H7NO.CO/c1-3(4)2-5;1-2/h4-5H,2H2,1H3;/b4-3+;",84.7883,-17.55741,
9990,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[C@@:3]1([C:6](=[O:7])[H:14])([H:10])[C:4]([H:11])([H:12])[N:5]1[H:13].[O:1]([C:2][H:9])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C3H5NO.CH2O/c5-2-3-1-4-3;1-2/h2-4H,1H2;1-2H/t3-;/m0./s1",86.51571,77.88753,
9991,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[C:6]([H:14])[O:7][N:5]([H:13])[C:4]1([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c6-2-4-1-5-7-3-4/h3,5-6H,1-2H2",70.3627,28.120309999999996,ketoenol
9992,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([N:5]([C+:4]([H:11])[H:12])[H:13])=[C:6]([O-:7])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c1-5-4(2-6)3-7/h2,5,7H,1,3H2",43.33546,10.37385,
9993,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[C:3]1(=[C:6](/[O:7][H:8])[H:14])\[C:4]([H:11])([H:12])[N:5]1[H:13].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C3H5NO.CH2O/c5-2-3-1-4-3;1-2/h2,4-5H,1H2;1H2/b3-2-;",51.644940000000005,39.44471,Retroene
9994,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([N:5]([C:4][H:11])[H:13])([C:6](=[O:7])[H:14])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c1-5-4(2-6)3-7/h1-2,4-5,7H,3H2/t4-/m0/s1",76.6347,35.464529999999996,
9995,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C@@:3]1([C@:6]2([H:14])[C:2]([H:9])([H:10])[O:7]2)[C:4]([H:11])([H:12])[N:5]1[H:13])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c6-4(2-5-4)3-1-7-3/h3,5-6H,1-2H2/t3-,4+/m0/s1",87.4458,19.44806,
9996,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1([C:6]([O:7][H:13])([H:12])[H:14])[C:4]([H:11])=[N:5]1)([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h1,6-7H,2-3H2",82.63292,20.2868,
9997,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C-:1]#[C:2][C:3]1=[N+:7]([H:10])[N:6]=[N:5][C:4]1([H:8])[H:9],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)",InChI=1S/C4H2N3/c1-2-4-3-5-7-6-4/h3H2/q-1/p+1,103.98203000000001,61.98024,
9998,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6]([H:10])[n:7]1)[H:8],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)",48.4306,-4.34774,
9999,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C:1](=[C:2])([c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h2-3H,(H,5,6,7)",53.680319999999995,51.02964,Singlet_Carbene_Intra_Disproportionation
10000,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C:1](#[C:2][C@@:3]1([H:10])[C:4]([H:9])=[N:5][N:6]=[N:7]1)[H:8],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3-4H/t4-/m0/s1",56.694359999999996,31.851490000000002,
10001,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C:1](=[C:2]=[C:3]1[C:4]#[N+:5][N-:6][N:7]1[H:10])([H:8])[H:9],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h6H,1H2",108.9062,73.00671,
10002,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C:1](#[C:2][C:3]1=[C+:4][N:5]([H:9])[N-:6][N:7]1[H:10])[H:8],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,5-6H",84.38011,41.8252,
10003,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C+:1]#[C:2][C:3]1=[C:4]([H:9])[N:5]([H:8])[N-:6][N:7]1[H:10],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h3,5-6H",152.89016999999998,57.45008000000001,
10004,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C:1](#[C:2]/[C:3]([C-:4]([N+:5]#[N:6])[H:9])=[N:7]\[H:10])[H:8],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c1-2-4(5)3-7-6/h1,3,5H/b5-4+",33.40828,17.51952,
10005,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:6]1([H:16])[N:5]([H:15])[C:4]([H:13])([H:14])[C:3]([H:11])([H:12])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO2/c1-6-4-5-2-3-7-4/h4-5H,2-3H2,1H3/t4-/m1/s1",89.83261,12.406260000000001,
10006,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([N:5]=[C:6]=[O:7])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H7NO2.H2/c1-7-3-2-5-4-6;/h2-3H2,1H3;1H",81.11095,18.32699,
10007,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4](/[N:5]=[C:6](/[O:7][H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)",47.40829,13.993910000000001,ketoenol
10008,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[N:5](=[C:6]=[O:7])[H:16],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C3H8O.CHNO/c1-3-4-2;2-1-3/h3H2,1-2H3;2H",89.57881,2.08031,
10009,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([O:7]/[C:6](=[N:5]/[H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO2/c1-6-2-3-7-4-5/h4-5H,2-3H2,1H3/b5-4+",74.98669,16.97994,ketoenol
10010,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([O+:7]=[C:6]([N:5]([C-:4]([H:13])[H:14])[H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO2/c1-5-3-7-4-6-2/h3,5H,1,4H2,2H3",94.42334,66.79693,
10011,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](/[C:4](=[N:5]\[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:14])[H:16],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C3H7NO.CH2O/c1-5-3-2-4;1-2/h2,4H,3H2,1H3;1H2/b4-2-;",86.68538000000001,39.13675,
10012,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([N:5]([C:6][O:7][H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h5-6H,2-3H2,1H3",72.71347,39.93127,
10013,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[O:2][C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[N:5]([H:15])[C@:6]1([O:7][H:8])[H:16],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO2/c6-4-3-7-2-1-5-4/h4-6H,1-3H2/t4-/m0/s1",87.53164,17.4483,
10014,[O:1]1[C@:2]2([H:8])[C@:3]3([H:9])[C@:4]4([H:10])[C@@:5]1([H:11])[C@@:6]2([H:12])[N:7]34,[O:1]1[C@@:2]2([H:8])[C@@:3]3([H:9])[C:4][C@:5]1([H:11])[C@:6]2([H:12])[N:7]3[H:10],"InChI=1S/C5H5NO/c7-4-1-2-5(7)3(4)6(1)2/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5NO/c1-2-5-4(6-2)3(1)7-5/h2-6H/t2-,3-,4+,5+/m1/s1",54.813790000000004,48.82011,
10015,[O:1]1[C@:2]2([H:8])[C@:3]3([H:9])[C@:4]4([H:10])[C@@:5]1([H:11])[C@@:6]2([H:12])[N:7]34,[O:1]1[C:2]([H:8])=[C:6]([H:12])[C@:5]1([C@:4]1([H:10])[C:3]([H:9])=[N:7]1)[H:11],"InChI=1S/C5H5NO/c7-4-1-2-5(7)3(4)6(1)2/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5NO/c1-2-7-5(1)4-3-6-4/h1-5H/t4-,5-/m0/s1",81.05708,-7.63952,
10016,[O:1]1[C@:2]2([H:8])[C@:3]3([H:9])[C@:4]4([H:10])[C@@:5]1([H:11])[C@@:6]2([H:12])[N:7]34,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])=[C:6]([H:12])[N:7]12)[H:8],"InChI=1S/C5H5NO/c7-4-1-2-5(7)3(4)6(1)2/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5NO/c7-3-5-4-1-2-6(4)5/h1-5H/t4-,5+,6?/m1/s1",45.93247,-14.72134,
10017,[O:1]1[C@:2]2([H:8])[C@:3]3([H:9])[C@:4]4([H:10])[C@@:5]1([H:11])[C@@:6]2([H:12])[N:7]34,[O:1]1[C@@:2]2([H:8])[C@:3]3([H:9])[C@@:6]2([H:12])[N:7]3[C:4]([H:10])=[C:5]1[H:11],"InChI=1S/C5H5NO/c7-4-1-2-5(7)3(4)6(1)2/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5NO/c1-2-7-5-3-4(5)6(1)3/h1-5H/t3-,4+,5-,6?",52.26334,-12.53009,
10018,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:13])[C:5]([O:6][H:12])=[N:7]1)([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1H,2,5H2,(H,6,7)",45.58972,1.42432,
10019,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@:2]1([H:13])[C:3]([H:10])=[C:4]([H:11])[C:5]([O:6][H:12])=[N:7]1)([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-3H,5H2,(H,6,7)/t3-/m0/s1",46.31552,9.45655,
10020,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1](=[C:2]1\[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([O:6][H:12])[N:7]1[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h2,7H,1H2,(H2,5,6)",77.34172,1.81605,
10021,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]12[C:3]([H:10])=[C:4]([H:11])[C@:5]1([O:6][H:12])[N:7]2[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(3,7)6-3/h1-2,6-7H,5H2/t3-,4-/m1/s1",96.38794,77.00737,Intra_2+2_cycloaddition_Cd
10022,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N+:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n-:7]1)([H:8])([H:9])[H:13],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H5N2O/c5-3-1-2-4(7)6-3/h1-2,7H,5H2/q-1/p+1",50.425309999999996,36.83619,
10023,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[C@@:4]([O:6][H:12])([H:11])[C:5][N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-1-3(7)2-6-4/h1,3,6-7H,5H2/t3-/m0/s1",77.70576,54.78249,
10024,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]([C:3](=[C:4]=[C:5]([O:6][H:12])[H:11])[H:10])=[N:7][H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4(6)2-1-3-7/h2-3,7H,(H3,5,6)",70.16168,35.51571,
10025,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[H:12][H:13].[N:1]([C:2]1=[N:7][C:5](=[O:6])[C:4]([H:11])=[C:3]1[H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H4N2O.H2/c5-3-1-2-4(7)6-3;/h1-2H,(H2,5,6,7);1H",98.01481,15.07785,
10026,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[C@:4]1(/[C:5]([O:6][H:12])=[N:7]/[H:13])[H:11])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2(3)4(6)7/h1-2H,5H2,(H2,6,7)/t2-/m1/s1",68.37343,42.99954,
10027,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]1([O:6][H:12])[C+:3]([H:10])[C:4]([H:11])=[C-:5][N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4(7)2-1-3-6-4/h1-2,6-7H,5H2/t4-/m0/s1",110.38813,51.81005,
10028,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1](=[C:2]1\[C:3]([H:10])=[C:4]([H:11])[C@:5]([O:6][H:12])([H:8])[N:7]1[H:13])\[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,4,7H,(H2,5,6)/t4-/m1/s1",92.3378,4.61606,
10029,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C-:3][C:4]([H:10])([H:11])[C+:5]([O:6][H:12])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h6-7H,2,5H2",77.29289,68.19086,
10030,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]1([H:11])[C:3]([H:10])=[C:4]=[C:5]([O:6][H:12])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1,3,6-7H,5H2/t3-/m1/s1",74.91465,50.45955,
10031,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5](=[O:6])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1H,2,5H2,(H,6,7)",57.8397,-11.76727,ketoenol
10032,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C+:2]1[C:3]([H:10])=[C-:4][C@@:5]([O:6][H:12])([H:11])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1,4,6-7H,5H2/t4-/m0/s1",64.33937,51.93977,Singlet_Carbene_Intra_Disproportionation
10033,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]1([H:12])[C:3]([H:10])=[C:4]([H:11])[C:5](=[O:6])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-3H,5H2,(H,6,7)/t3-/m1/s1",92.7781,-6.2672099999999995,
10034,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N+:1]([C-:2]1[C:3]([H:10])=[C:4]=[C:5]([O:6][H:12])[N:7]1[H:13])([H:8])([H:9])[H:11],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1,6-7H,5H3",143.32906,98.29106999999999,
10035,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N+:1]([C:2]1=[C:3]=[C:4]([H:11])[C-:5]([O:6][H:12])[N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H5N2O/c5-3-1-2-4(7)6-3/h2,6-7H,5H2/q-1/p+1",87.44374,84.12373000000001,
10036,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[N:7][C:5]([O:6][H:12])=[C:4]([H:11])[C:3]1([H:10])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h2,7H,1H2,(H2,5,6)",46.26234,-0.8793799999999999,
10037,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[N:7][C@:5]([O:6][H:12])([H:13])[C:4]([H:11])=[C:3]1[H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,4,7H,(H2,5,6)/t4-/m0/s1",45.59142,5.90621,
10038,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C-:3]=[C:4]([H:11])[C+:5]([O:6][H:12])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h2-3,6-7H,5H2/t3-/m1/s1",65.01449000000001,56.615030000000004,Singlet_Carbene_Intra_Disproportionation
10039,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:6][C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[N:3](=[C:4]=[O:5])[H:13],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C3H8O.CHNO/c1-3-4-2;2-1-3/h3H2,1-2H3;2H",91.18951,24.047439999999998,
10040,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4](=[O:5])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[O:6]=[C:7]([H:14])[H:15],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C3H7NO.CH2O/c1-2-4-3-5;1-2/h3H,2H2,1H3,(H,4,5);1H2",90.74003,27.82017,
10041,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2](/[N:3]=[C:4](\[O:5][H:11])[O:6][C:7]([H:14])([H:15])[H:16])[H:12])([H:8])[H:10].[H:9][H:13],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H7NO2.H2/c1-3-5-4(6)7-2;/h3H,1H2,2H3,(H,5,6);1H",111.6786,50.36676,
10042,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[N:3]([H:13])[C@@:4]1([O:5][H:9])[O:6][C:7]([H:14])([H:15])[H:16],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO2/c1-7-4(6)2-3-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1",94.58525999999999,38.07253,
10043,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]=[C:4]=[O:5])([H:11])[H:12])([H:8])([H:9])[H:10].[O:6]([C:7]([H:14])([H:15])[H:16])[H:13],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C3H5NO.CH4O/c1-2-4-3-5;1-2/h2H2,1H3;2H,1H3",53.67846,23.1692,"1,3_Insertion_ROR"
10044,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:5]/[C:4](=[N:3]/[H:13])[O:6][C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO2/c1-3-7-4(5)6-2/h5H,3H2,1-2H3/b5-4+",79.5164,22.64558,ketoenol
10045,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[H:13])[H:11])([H:8])([H:9])[H:10].[C:4](=[O:5])([O:6][C:7]([H:14])([H:15])[H:16])[H:12],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C2H5N.C2H4O2/c1-2-3;1-4-2-3/h2-3H,1H3;2H,1H3/b3-2-;",98.46438,29.79594,
10046,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10].[N:3](=[C:4]=[O:5])[O:6][C:7]([H:14])([H:15])[H:16],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)",InChI=1S/C2H3NO2.C2H6/c1-5-3-2-4;1-2/h1H3;1-2H3,103.9754,71.09705,
10047,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[N:3](=[C:4](/[O:5][H:9])[O:6][C:7]([H:14])([H:15])[H:16])\[H:13],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C2H5NO2.C2H4/c1-5-2(3)4;1-2/h1H3,(H2,3,4);1-2H2",63.582919999999994,38.025459999999995,Retroene
10048,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](=[O:5])=[O:6],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C3H9N.CO2/c1-3-4-2;2-1-3/h4H,3H2,1-2H3;",78.00879,-0.58085,"1,3_Insertion_CO2"
10049,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H,5H2,1-2H3",92.15481,84.66541,
10050,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10].[C:2](=[N:3][H:13])([H:11])[H:12],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C3H6O2.CH3N/c1-3(4)5-2;1-2/h1-2H3;2H,1H2",116.44633999999999,28.339240000000004,
10051,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6](=[O:7])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[H:17][H:19],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O.H2/c1-2-5-3-6(5)4-7;/h4-6H,2-3H2,1H3;1H/t5-,6-;/m0./s1",87.60237,14.70318,
10052,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]1([C:4]([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:8])[H:16])([H:14])[H:15])[H:13],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c7-5-1-2-6-3-4-6/h6-7H,1-5H2",98.86795,3.08117,
10053,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([O:7][H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([H:17])[H:18],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C5H10O.CH2/c1-2-4-3-5(4)6;/h4-6H,2-3H2,1H3;1H2/t4-,5+;/m0./s1",132.12009,111.14223999999999,
10054,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])[H:12],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C5H8O.CH4/c1-4-2-5(4)3-6;/h1,4-6H,2-3H2;1H4/t4-,5-;/m0./s1",91.79531,87.18581999999999,
10055,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][C@@:5]([C:4]([H:13])([H:14])[H:15])([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-4-6(2)5-7/h6-7H,3,5H2,1-2H3/t6-/m1/s1",71.2578,69.81314,
10056,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([C:5](=[C:6]([H:17])[H:18])[H:16])([H:14])[H:15])([O:7][H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1",80.71679,-6.84777,
10057,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]1=[C:6]([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:16])[H:19],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10.H2O/c1-3-6-4-5(6)2;/h6H,2-4H2,1H3;1H2/t6-;/m0./s1",74.89556,18.26257,"1,3_Insertion_ROR"
10058,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C:3]1([H:13])=[C:4]([H:14])[C:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16].[H:8][H:15],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C4H6O.C2H4.H2/c5-3-4-1-2-4;1-2;/h1-2,4-5H,3H2;1-2H2;1H",112.97233,78.99708000000001,
10059,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:5](\[C:4]([H:14])([H:15])[H:19])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:17])[H:18],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C5H10.CH2O/c1-3-5-4-2;1-2/h3,5H,4H2,1-2H3;1H2/b5-3-;",73.65602,10.13,
10060,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][C:4]([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:13])[H:16])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-2-3-4-5-6-7/h7H,2,4-6H2,1H3",68.85716,65.64568,
10061,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C:3](=[C:4]([H:14])[H:15])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:8])[H:16])[H:13],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C4H8O.C2H4/c1-2-3-4-5;1-2/h2,5H,1,3-4H2;1-2H2",93.87673000000001,19.65866,
10062,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4](/[C:5](=[C:6](\[O:7][H:19])[H:18])[H:16])([H:14])[H:15])[H:13])[H:12])([H:8])([H:9])[H:10].[H:11][H:17],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O.H2/c1-2-3-4-5-6-7;/h2-3,5-7H,4H2,1H3;1H/b3-2+,6-5-;",68.77008000000001,17.02427,
10063,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([O:7][H:19])([H:14])[H:15])([C:5](=[C:6]([H:17])[H:18])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-6(4-2)5-7/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1",81.91794,-2.31225,
10064,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C-:4]([H:15])[C@:5]1([C+:6]([O:7][H:19])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[H:14][H:17],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O.H2/c1-2-5-3-6(5)4-7;/h3-7H,2H2,1H3;1H/t5-,6-;/m0./s1",119.3063,86.13946999999999,
10065,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5][C:6]([O:7][H:19])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-6(2)4-5-7/h6-7H,3,5H2,1-2H3/t6-/m1/s1",66.31607,62.56861,
10066,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:19])([C@:5]1([H:16])[C:6]([H:17])([H:18])[O:7]1)[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-5(2)6-4-7-6/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1",71.02086,4.644480000000001,
10067,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[C:6](=[O:7])([H:11])[H:12].[N:1]([C:2](=[O:3])[C:4](=[O:5])[H:10])([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C2H3NO2.CH2O/c3-2(5)1-4;1-2/h1H,(H2,3,5);1H2",71.79279,30.21438,
10068,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]1([H:9])[C:2](=[O:3])[C:4]([H:10])([H:11])[O:5][C@@:6]1([O:7][H:8])[H:12],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c5-2-1-7-3(6)4-2/h3,6H,1H2,(H,4,5)/t3-/m0/s1",59.250890000000005,6.662739999999999,
10069,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]([O:3][O:7][C:6](=[O:5])[H:12])=[C:4]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c1-3(4)7-6-2-5/h2H,1,4H2",103.11334000000001,84.07221,ketoenol
10070,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C@:2]12[O:3][O:7][C@@:6]1([H:12])[O:5][C:4]2([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-3-1-5-2(3)6-7-3/h2H,1,4H2/t2-,3-/m1/s1",139.92600000000002,113.55433000000001,
10071,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1](=[C:2]1\[O:3][C@:6]([O:7][H:8])([H:12])[O:5][C:4]1([H:10])[H:11])\[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-2-1-6-3(5)7-2/h3-5H,1H2/b4-2-/t3-/m0/s1",62.84138000000001,19.10585,
10072,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]12[O:3][C:6]([H:12])([O:5][C:4]1([H:10])[H:11])[O:7]2)([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-3-1-5-2(6-3)7-3/h2H,1,4H2",57.86328,50.27247,
10073,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C@:6]1([H:12])[O:5][C:4]([H:10])([H:11])[C:2](=[O:3])[O:7]1)([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-3-6-1-2(5)7-3/h3H,1,4H2/t3-/m1/s1",55.89909,11.28401,
10074,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]1([O:3][C:6](=[O:7])[H:12])[C:4]([H:10])([H:11])[O:5]1)([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-3(1-6-3)7-2-5/h2H,1,4H2/t3-/m0/s1",59.78395,37.75651,
10075,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1](/[C:2]([O:3][H:11])=[C:4](\[O:5][C:6](=[O:7])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h1-2,6H,4H2/b3-1+",60.404309999999995,26.3849,ketoenol
10076,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([O:5][C-:6]=[O+:7][H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h5H,1H2,(H2,4,6)",77.27213,42.30319,
10077,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1](=[C:2]1\[O:3][C:4]1([H:10])[H:11])\[H:9].[O:5]=[C:6]([O:7][H:8])[H:12],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C2H3NO.CH2O2/c3-2-1-4-2;2-1-3/h3H,1H2;1H,(H,2,3)/b3-2-;",48.62659,49.16377,
10078,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]1([H:9])[C@@:2]2([O:3]1)[C:4]([H:10])([H:11])[O:5][C:6]([H:8])([H:12])[O:7]2,"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c1-3(4-7-3)6-2-5-1/h4H,1-2H2/t3-/m0/s1",132.56668,82.57181,
10079,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:4]([C:2](=[O:3])[O:7][C:6](=[O:5])[H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-1-3(6)7-2-5/h2H,1,4H2",79.88082,12.04721,
10080,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:12])[O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C@:6]1([O:7][H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-3-5(6)4(2)7-3/h3-6H,1-2H3/t3-,4+,5-",84.40515,5.80695,
10081,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[O:3][C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C@@:6]1([O:7][H:9])[H:17],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5+/m0/s1",75.40335,-5.86827,
10082,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6][O:7][H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h5-6H,3H2,1-2H3/t5-/m0/s1",80.73485,51.91292,
10083,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:12])([H:8])([H:9])[H:10].[C:4](\[C:5]([H:14])([H:15])[H:16])(=[C:6](/[O:7][H:11])[H:17])[H:13],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h2-4H,1H3;2H,1H3/b3-2+;",57.081269999999996,10.163089999999999,Retroene
10084,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:14])[H:16])([C:6](=[O:7])[H:17])[H:13],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C3H4O.C2H6O/c1-2-3-4;1-2-3/h2-3H,1H2;3H,2H2,1H3",66.77575999999999,14.343379999999998,"1,3_Insertion_ROR"
10085,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3]/[C:4](=[C:6](/[O:7][C:5]([H:14])([H:15])[H:16])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-3-7-5-4-6-2/h4-5H,3H2,1-2H3/b5-4+",98.55776999999999,20.96516,ketoenol
10086,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:14])[H:16])([C:6](=[O:7])[H:17])[H:13].[H:11][H:15],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C3H4O.C2H4O.H2/c1-2-3-4;1-2-3;/h2-3H,1H2;2H,1H3;1H",72.6964,30.62342,
10087,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O+:3][C:4]([C:5]([H:14])([H:15])[H:16])=[C:6]([O-:7])[H:17])[H:12])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C5H8O2.H2/c1-3-7-5(2)4-6;/h3-4H,1-2H3;1H",71.66660999999999,60.059430000000006,
10088,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2](=[O+:3][C:4]([C:5]([H:14])([H:15])[H:16])=[C:6]([O-:7])[H:17])([H:11])[H:12],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C4H6O2.CH4/c1-4(3-5)6-2;/h3H,2H2,1H3;1H4",88.4388,61.037859999999995,
10089,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[H:9][H:13].[O:3]=[C:4]([C:5]([H:14])([H:15])[H:16])[C:6](=[O:7])[H:17],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C3H4O2.C2H4.H2/c1-3(5)2-4;1-2;/h2H,1H3;1-2H2;1H",72.28728000000001,33.7121,
10090,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][O:7]/[C:6](=[C:4](/[C:5]([H:14])([H:15])[H:16])[H:13])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-3-5-7-6-4-2/h3,5H,4H2,1-2H3/b5-3+",98.49975,62.52649,ketoenol
10091,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:6]1([H:17])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:3][C:2]([H:11])([H:12])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-4-5(2)7-3-6-4/h4-5H,3H2,1-2H3/t4-,5+",94.65083,-3.5785400000000003,
10092,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C@:6]1([H:17])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-3-6-5-4(2)7-5/h4-5H,3H2,1-2H3/t4-,5+/m1/s1",71.97291,16.267979999999998,
10093,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:7]/[C:6](=[C:4](/[C:5]([H:14])([H:15])[H:16])[H:13])[H:17])([H:8])([H:9])[H:10].[C:2](=[O:3])([H:11])[H:12],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O.CH2O/c1-3-4-5-2;1-2/h3-4H,1-2H3;1H2/b4-3+;",112.87911000000001,29.516040000000004,
10094,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([O:3][C:4](=[C:5]([H:14])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:17],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O.CO.H2/c1-3-5-4-2;1-2;/h3H,1,4H2,2H3;;1H",73.54392,26.551009999999998,
10095,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O+:3]=[C:4]=[C:6]([O-:7])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([H:13])([H:14])([H:15])[H:16],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C4H6O2.CH4/c1-2-6-4-3-5;/h3H,2H2,1H3;1H4",76.32096999999999,58.909969999999994,
10096,[N:1]([c:2]1[n:3][n:4][c:5]([N:6]([H:10])[H:11])[o:7]1)([H:8])[H:9],[N:1]([C@@:2]1([H:10])[N:3]=[N:4]/[C:5](=[N:6]\[H:11])[O:7]1)([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-5-6-2(4)7-1/h(H2,3,5)(H2,4,6)","InChI=1S/C2H4N4O/c3-1-5-6-2(4)7-1/h1,4H,3H2/b4-2+/t1-/m0/s1",104.25909,24.33161,
10097,[N:1]([c:2]1[n:3][n:4][c:5]([N:6]([H:10])[H:11])[o:7]1)([H:8])[H:9],[N:1](=[c:2]1/[n:3]([H:9])[n:4][c:5]([N:6]([H:10])[H:11])[o:7]1)\[H:8],"InChI=1S/C2H4N4O/c3-1-5-6-2(4)7-1/h(H2,3,5)(H2,4,6)","InChI=1S/C2H4N4O/c3-1-5-6-2(4)7-1/h(H2,3,5)(H2,4,6)",58.524640000000005,3.7954800000000004,
10098,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1(/[C:5](=[C:6](\[O:7][H:16])[H:17])[H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h2-3,5-7H,4H2,1H3/b3-2-/t5-,6+/m0/s1",70.63334,5.413130000000001,ketoenol
10099,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3](/[C:4](=[C:5](\[C:6](=[O:7])[H:17])[H:15])[H:14])([H:12])[H:13])[H:11])([H:8])[H:10].[H:9][H:16],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-2-3-4-5-6-7;/h2,4-6H,1,3H2;1H/b5-4-;",65.33556,25.78614,
10100,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:15])[H:16])([C:6](=[O:7])[H:17])[H:14],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C3H4O.C3H6/c1-2-3-4;1-3-2/h2-3H,1H2;3H,1H2,2H3",80.30073,14.60958,
10101,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4][C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-6(2)4-3-5-7/h5-6H,3H2,1-2H3",68.95205,64.40796,
10102,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]2([H:13])[C@@:4]1([H:14])[C:5]([H:15])([H:16])[C@:6]2([O:7][H:12])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-4-2-5(7)6(3)4/h3-7H,2H2,1H3/t3-,4+,5-,6-/m1/s1",96.92815999999999,16.45411,
10103,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([O+:7]=[C-:6][H:17])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-3-6(4-5)7-2/h2,5-6H,3-4H2,1H3/t5-,6+",110.9938,59.58274,
10104,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3]([C:4](=[C:5](\[C:6](=[O:7])[H:17])[H:15])\[H:14])/[H:12])[H:11])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-2-3-4-5-6-7;/h2-6H,1H3;1H/b3-2-,5-4+;",105.39368999999999,20.59633,
10105,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:4]([C:3]([H:11])([H:12])[H:13])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-6(2)4-5-7/h5-6H,4H2,1-2H3/t6-/m1/s1",68.91962,66.1076,
10106,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]2([H:11])[C:3]([H:12])([H:13])[C@:4]2([H:14])[C:5]([H:15])([H:16])[C@@:6]1([O:7][H:9])[H:17],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c7-6-2-4-1-5(4)3-6/h4-7H,1-3H2/t4-,5+,6+",76.08915999999999,-5.0044,
10107,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](/[C:3]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:12])[H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3/b3-2+",93.86216,-7.17807,
10108,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6][O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h5-7H,2,4H2,1H3/t5-,6+/m0/s1",80.31009,52.42781,
10109,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]1([H:14])[H:16])([H:8])([H:9])[H:10].[C:5](=[C:6]=[O:7])([H:15])[H:17],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C4H8.C2H2O/c1-4-2-3-4;1-2-3/h4H,2-3H2,1H3;1H2",88.07446999999999,15.82213,
10110,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:11])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h6H,3-5H2,1H3",69.19051,62.323119999999996,
10111,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([O+:7]=[C-:6][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-3-6(5)4-7-2/h2,5-6H,3-4H2,1H3/t5-,6-/m0/s1",110.8031,64.52268000000001,
10112,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-6(2)4-3-5-7/h4-5H,3H2,1-2H3",81.0094,-8.31893,
10113,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:12])=[C:4]1[H:14])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:13])[H:17])([H:15])[H:16],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C4H6.C2H4O/c1-4-2-3-4;1-2-3/h2-4H,1H3;2-3H,1H2",77.09025,54.24179,Retroene
10114,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](\[C:3]([O:7][C:6](=[C:5]([H:15])[H:16])[H:17])([H:12])[H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-5-6-7-4-2/h3-5H,2,6H2,1H3/b5-3-",82.08045,11.79514,
10115,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([O:7][C:6](=[C:5]([H:15])[H:16])[H:17])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-7-6-4-5(6)2/h3,5-6H,1,4H2,2H3/t5-,6+/m0/s1",98.36301,15.634570000000002,ketoenol
10116,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2]1([H:11])=[C:3]([H:12])[C:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C5H6O.CH4/c6-4-3-5-1-2-5;/h1-2,4-5H,3H2;1H4",121.84135,42.83135,
10117,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4][C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:12])[H:13])([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h6H,2-3,5H2,1H3",71.26547,65.63676,
10118,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C5H6O.CH4/c6-4-3-5-1-2-5;/h4-5H,1,3H2;1H4/t5-;/m1./s1",99.29231,89.58912,
10119,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]1[N+:3]([H:8])([H:10])[C-:4]([H:9])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h1,3H,2,5H2/t3-,6?/m0/s1",89.5487,76.15923000000001,
10120,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:3]([C:4]([C:5]1=[N:7][C:6]1([H:12])[H:13])([H:9])[H:10])([H:8])[H:11].[O+:1]#[C-:2],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C3H6N2.CO/c4-1-3-2-5-3;1-2/h1-2,4H2;",101.5474,36.34394,
10121,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:3](=[C:4]([H:9])[H:10])[H:8].[O:1]=[C:2]=[N:7][C:5](=[C:6]([H:12])[H:13])[H:11],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C3H3NO.CH3N/c1-2-4-3-5;1-2/h2H,1H2;2H,1H2",71.81902,16.65484,
10122,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]=[N:7][C:6]([C@@:5]1([H:11])[N:3]([H:8])[C:4]1([H:9])[H:10])([H:12])[H:13],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-3-5-1-4-2-6-4/h4,6H,1-2H2/t4-/m1/s1",67.68951,7.8438,
10123,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O-:1][N+:7]#[C:2][N:3]([C:4]([C:5](=[C:6]([H:12])[H:13])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c1-2-3-5-4-6-7/h2,5H,1,3H2",110.19071000000001,71.64322,
10124,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[C:4](=[C:5]([N:7]=[C:6]([H:12])[H:13])[H:11])([H:9])[H:10].[O:1]=[C:2]=[N:3][H:8],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C3H5N.CHNO/c1-3-4-2;2-1-3/h3H,1-2H2;2H",92.52156,11.18347,
10125,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]([C:2]1=[N:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12)[H:8],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1",52.80461999999999,12.759830000000001,ketoenol
10126,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O+:1]1=[C:2]([N:3]([C-:4]([H:9])[H:10])[H:8])[N:7]2[C@:5]1([H:11])[C:6]2([H:12])[H:13],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c1-5-4-6-2-3(6)7-4/h3,5H,1-2H2/t3-,6?/m0/s1",144.6474,102.07776,
10127,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]([C:2]1=[N+:7]2[C@@:5]([H:11])([C:4]([H:9])([H:10])[N:3]1[H:8])[C-:6]2[H:13])[H:12],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h2-3,5,7H,1H2/t3-/m0/s1",120.36376000000001,72.68381,
10128,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[C:5]1([H:11])=[N:7][C:6]1([H:12])[H:13].[N:3](=[C:4]([H:9])[H:10])[H:8].[O+:1]#[C-:2],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C2H3N.CH3N.CO/c1-2-3-1;2*1-2/h1H,2H2;2H,1H2;",100.75559,60.86081,
10129,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:3](=[C:4](/[C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:9])[H:10])\[H:8].[O+:1]#[C-:2],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C3H6N2.CO/c4-1-3-2-5-3;1-2/h1,3-5H,2H2;/b4-1+;/t3-;/m0./s1",110.49156,24.57078,
10130,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[N+:7]1[C-:6]([H:12])[H:13],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c1-6-3-2-5-4(6)7/h3H,1-2H2,(H,5,7)",52.992,22.636870000000002,
10131,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]([N:3]([C:4]([H:9])([H:10])[H:12])[H:8])[N:7]1[C:5]([H:11])=[C:6]1[H:13],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c1-5-4(7)6-2-3-6/h2-3H,1H3,(H,5,7)",120.01167,55.54598000000001,
10132,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C-:6]([H:13])[N+:7]12[H:12],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h2-3,6H,1H2,(H,5,7)/t3-/m0/s1",65.41895,52.31111,
10133,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]1[C:2]2=[N:7][C@@:5]([H:11])([C:4]([H:9])([H:10])[N:3]2[H:8])[C:6]1([H:12])[H:13],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c1-3-2-7-4(5-1)6-3/h3H,1-2H2,(H,5,6)/t3-/m0/s1",111.03376999999999,93.16659,ketoenol
10134,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C-:5]2[C:6]([H:12])([H:13])[N+:7]12[H:11],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h6H,1-2H2,(H,5,7)",66.70308,49.59707,
10135,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[H:8][H:13].[O:1]=[C:2]=[N:3][C:4]([C@@:5]1([H:11])[C:6]([H:12])=[N:7]1)([H:9])[H:10],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H4N2O.H2/c7-3-5-1-4-2-6-4;/h2,4H,1H2;1H/t4-;/m0./s1",99.2758,44.06391,
10136,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]=[N:7][C:6]([C:5](/[C:4](=[N:3]/[H:8])[H:10])([H:9])[H:11])([H:12])[H:13],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c5-2-1-3-6-4-7/h2,5H,1,3H2/b5-2+",60.91426,-9.75088,
10137,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]([N:3]([C:4]([C@@:5]1([H:11])[C:6]([H:12])=[N:7]1)([H:9])[H:10])[H:8])[H:13],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-3-5-1-4-2-6-4/h2-4H,1H2,(H,5,7)/t4-/m0/s1",97.53688000000001,26.89457,
10138,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]([C@@:2]12[N:3]([H:8])[C@:4]1([H:10])[C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]21)[H:9],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-4-3(5-4)2-1-6(2)4/h2-3,5,7H,1H2/t2-,3-,4-,6?/m1/s1",121.56715,64.23656,
10139,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]=[N:7][C:5]1([H:11])[C:4]([H:9])([H:10])[N:3]([H:8])[C:6]1([H:12])[H:13],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-3-6-4-1-5-2-4/h4-5H,1-2H2",76.64761999999999,8.34346,
10140,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5][C:6]([H:12])([H:13])[N:7]1[H:11],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-4-5-2-1-3-6-4/h2-3H2,(H2,5,6,7)",66.70512,45.97425,
10141,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1](/[C:2](=[C:3](/[C@@:4]1([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[N:7]1)[H:10])[H:9])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-4-2-5-1-3-6-5/h2-5,7H,1H2/b4-2+/t5-/m1/s1",50.08616,-15.61679,
10142,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[C-:2]12[C@@:3]3([H:10])[C@@:4]4([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N+:7]234.[O:1]([H:8])[H:9],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H5N.H2O/c1-2-4-5-3(1)6(2,4)5;/h2-4H,1H2;1H2/t2-,3+,4-,6?;/m1./s1",74.77395,69.1933,
10143,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[H:8][H:9].[O:1]=[C:2]1[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23,"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H5NO.H2/c7-5-3-1-2-4(5)6(2)3;/h2-4H,1H2;1H/t2-,3+,4-,6?;/m1./s1",83.69699,15.241370000000002,
10144,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C@@:2]1([H:9])[C@:3]2([H:10])[C@@:4]3([H:11])[C@:5]2([H:12])[C@:6]1([H:14])[N:7]3[H:13])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-5-2-1-3(2)6-4(1)5/h1-7H/t1-,2+,3-,4+,5+/m1/s1",94.78248,12.44135,
10145,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C@@:2]([C@@:3]1([H:10])[C:4]([H:11])=[N:7]1)([C:6](=[C:5]([H:12])[H:13])[H:14])[H:9])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c1-2-5(7)4-3-6-4/h2-5,7H,1H2/t4-,5-/m1/s1",77.47219,1.46645,
10146,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]2[H:11])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6-3/h3-7H,1H2/t3-,4+,5+/m0/s1",59.72561999999999,51.63662,
10147,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C:2](=[C:3]([H:9])[H:10])[C@:6]1([H:14])[C:5]([H:12])([H:13])[C:4]([H:11])=[N:7]1)[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c1-4(7)5-2-3-6-5/h3,5,7H,1-2H2/t5-/m0/s1",110.95052,-21.0483,
10148,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C@@:2]1([H:9])[C@:3]([C:4](=[C:5]([H:12])[H:13])[H:11])([H:10])[N:7]=[C:6]1[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c1-2-4-5(7)3-6-4/h2-5,7H,1H2/t4-,5-/m1/s1",55.40915,-14.23554,
10149,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[H:8][H:12].[O:1]=[C:2]([C@@:3]1([H:10])[C@@:4]2([H:11])[C:5]([H:13])=[C:6]([H:14])[N:7]12)[H:9],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H5NO.H2/c7-3-5-4-1-2-6(4)5;/h1-5H;1H/t4-,5+,6?;/m1./s1",82.63688,34.78508,
10150,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]=[C:2]([C@:6]1([H:14])[C:5]([H:12])([H:13])[C@:4]2([H:11])[C:3]([H:8])([H:10])[N:7]21)[H:9],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-3-5-1-4-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1",72.83216,-7.699160000000001,
10151,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]([H:11])([C:5]([H:12])([H:13])[C:6]1)[N:7]2[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-4-2-1-3-5(4)6-3/h3-7H,1H2/t3-,4-,5-/m1/s1",72.05933,47.87754,
10152,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C@@:2]1([H:9])[C:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]2[H:10])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-5-2-3-1-4(5)6-3/h3-7H,1H2/t3-,4+,5+/m1/s1",59.80418,53.73288,
10153,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]=[C:2]([C:3]([C@@:4]1([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[N:7]1)([H:8])[H:10])[H:9],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-4-2-5-1-3-6-5/h3-5H,1-2H2/t5-/m1/s1",87.32891,-25.24544,
10154,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[H:8][H:14].[O:1]=[C:2]([C@@:6]12[C@@:3]3([H:10])[C@@:4]([H:11])([C:5]1([H:12])[H:13])[N:7]32)[H:9],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H5NO.H2/c7-2-5-1-3-4(5)6(3)5;/h2-4H,1H2;1H/t3-,4-,5-,6?;/m1./s1",104.03971999999999,33.936609999999995,
10155,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1](/[C:2](=[C:6](/[C:5]([C@:4]1([H:11])[C:3]([H:10])=[N:7]1)([H:12])[H:13])[H:14])[H:9])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h1,3-5,7H,2H2/b3-1+/t5-/m1/s1",50.442820000000005,-2.51135,
10156,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])=[N+:7]2[C-:4]([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h2-5,7H,1H2/t4-,5-/m0/s1",71.16995,53.196659999999994,
10157,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C:2][C@@:3]1([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C:6]([H:9])([H:14])[N:7]12)[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h4-5,7H,1-2H2/t4-,5+,6?/m1/s1",66.6826,41.96705,
10158,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([C:5](=[O+:7][C-:6]([H:13])[H:14])[H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-7-3-2-4(5)6/h3H,1-2H2,(H2,5,6)",66.44922,53.974680000000006,
10159,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[C:2](=[O:3])=[C:4]([H:10])[H:11].[N:1]([C:6]([C:5](=[O:7])[H:12])([H:13])[H:14])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C2H5NO.C2H2O/c3-1-2-4;1-2-3/h2H,1,3H2;1H2",60.30052,20.88319,
10160,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c5-4(7)2-1-3-6/h3H,1-2H2,(H2,5,7)",58.333690000000004,-24.148770000000003,
10161,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]([O:3][C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)=[C:4]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3(5)7-4-2-6-4/h4H,1-2,5H2/t4-/m0/s1",97.41407,30.148490000000002,ketoenol
10162,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[H:8][H:9].[N:1](=[C:2]=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c6-3-5-1-4-2-7-4;/h4H,1-2H2;1H/t4-;/m0./s1",106.93347,28.855729999999998,
10163,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([C:5]([O+:7]=[C-:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-7-3-2-4(5)6/h1H,2-3H2,(H2,5,6)",76.88556,47.113279999999996,
10164,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[C:6](=[O:7])([H:13])[H:14].[N:1]([C:2](=[O:3])[C:5](=[C:4]([H:10])[H:11])[H:12])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C3H5NO.CH2O/c1-2-3(4)5;1-2/h2H,1H2,(H2,4,5);1H2",83.0399,8.62565,
10165,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)[H:10].[N:1]([C:2](=[O:3])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C3H4O.CH3NO/c1-3-2-4-3;2-1-3/h1,3H,2H2;1H,(H2,2,3)/t3-;/m0./s1",103.7885,100.28036,
10166,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])/[C:4](=[C:5](\[C:6]([O:7][H:11])([H:13])[H:14])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c5-4(7)2-1-3-6/h1-2,6H,3H2,(H2,5,7)/b2-1-",56.62709,-9.09286,
10167,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[C:4](=[C:5]([C:6]([O:7][H:9])([H:13])[H:14])[H:12])([H:10])[H:11].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C3H6O.CHNO/c1-2-3-4;2-1-3/h2,4H,1,3H2;2H",48.802040000000005,3.83145,
10168,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([C@@:5]([C:6][H:13])([O:7][H:14])[H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3(6)2-4(5)7/h1,3,6H,2H2,(H2,5,7)/t3-/m1/s1",73.02029,69.25471,
10169,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C@:2]1([H:11])[O:3][C@@:4]1([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)[H:10])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c5-4-3(7-4)2-1-6-2/h2-4H,1,5H2/t2-,3-,4-/m1/s1",103.5017,42.06098,
10170,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]([O:3][C:6]([C:5](=[O:7])[H:12])([H:13])[H:14])=[C:4]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2H,1,3,5H2",47.921620000000004,11.62087,
10171,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:10])[H:11].[N:1](=[C:2]=[O:3])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C3H6O.CHNO/c1-3-2-4-3;2-1-3/h3H,2H2,1H3;2H/t3-;/m0./s1",81.06366,10.40737,
10172,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[C:6](=[O:7])([H:13])[H:14].[N:1]([C@:2]12[O:3][C@@:5]1([H:12])[C:4]2([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C3H5NO.CH2O/c4-3-1-2(3)5-3;1-2/h2H,1,4H2;1H2/t2-,3+;/m0./s1",85.69779,78.78341,
10173,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1](/[C:2]([O:3][H:11])=[C:4](/[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)[H:10])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h1,3,6H,2,5H2/b4-1-/t3-/m0/s1",66.52577,22.46346,ketoenol
10174,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([C-:5]=[O+:7][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-7-3-2-4(5)6/h2H2,1H3,(H2,5,6)",72.88736999999999,34.08234,
10175,[C:1]([C:2]([C:3]1([C:6]#[C:7][H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1=[C:6]=[C:7]([H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h1H,4-6H2,2H3","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3H,2,4,6H2,1H3",74.10794,29.1638,
10176,[C:1]([C:2]([C:3]1([C:6]#[C:7][H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C+:3]1[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1=[C-:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h1H,4-6H2,2H3","InChI=1S/C7H10/c1-3-7-5-4-6(7)2/h2H,3-5H2,1H3",66.3297,55.05461,
10177,[C:1]([C:2]([C:3]1([C:6]#[C:7][H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[C:3]([C:4]([H:10])([H:13])[H:14])(=[C:5]([H:15])[H:16])[C:6]#[C:7][H:17],"InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h1H,4-6H2,2H3","InChI=1S/C5H6.C2H4/c1-4-5(2)3;1-2/h1H,2H2,3H3;1-2H2",94.35925999999999,17.1656,
10178,[C:1]([C:2]([C:3]1([C:6]#[C:7][H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][C:4]([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h1H,4-6H2,2H3","InChI=1S/C7H10/c1-3-5-7-6-4-2/h1H,4-5,7H2,2H3",80.66739,66.13629,
10179,[C:1]([C:2]([C:3]1([C:6]#[C:7][H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[C:3]1(=[C:6]=[C:7]([H:10])[H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16],"InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h1H,4-6H2,2H3","InChI=1S/C5H6.C2H4/c1-2-5-3-4-5;1-2/h1,3-4H2;1-2H2",65.24873000000001,32.50762,Retroene
10180,[C:1]([C:2]([C:3]1([C:6]#[C:7][H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:5]([C:4]([C-:3]=[C:6]=[C+:7][H:17])([H:13])[H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h1H,4-6H2,2H3","InChI=1S/C7H10/c1-3-5-7-6-4-2/h1H,4,6-7H2,2H3",101.02448000000001,59.29639,
10181,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C:3]1([C:4]([H:13])([H:14])[H:15])=[C:5]([H:17])[C@:6]1([O:7][H:19])[H:18].[H:8][H:16],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H6O.C2H4.H2/c1-3-2-4(3)5;1-2;/h2,4-5H,1H3;1-2H2;1H/t4-;;/m1../s1",108.7659,71.03753,
10182,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:17])=[C:6]1[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:16])[H:19],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10.H2O/c1-3-6(2)4-5-6;/h4-5H,3H2,1-2H3;1H2",80.35103000000001,36.1869,
10183,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([C:6][H:18])([H:16])[H:17])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-6(3,7)5-2/h1,7H,4-5H2,2-3H3/t6-/m1/s1",96.10727,74.3557,
10184,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:5]([C@:6]([C:3][C:4]([H:13])([H:14])[H:15])([O:7][H:19])[H:18])([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-5-6(7)4-2/h6-7H,3,5H2,1-2H3/t6-/m0/s1",99.99571,60.03999,
10185,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6][O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-6(2,3)5-7/h7H,4H2,1-3H3",56.43919,36.39418,
10186,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[C:4]([H:13])([H:14])[H:15])[H:12])[H:11])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:19])[H:18])([H:16])[H:17],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3/h3-4H,1-2H3;2-3H,1H2/b4-3-;",98.34424,13.441189999999999,
10187,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10].[C:3]1([C:4]([H:13])([H:14])[H:15])=[C:6]([H:18])[C:5]1([H:16])[H:17],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H6.C2H6O/c1-4-2-3-4;1-2-3/h2H,3H2,1H3;3H,2H2,1H3",118.58913999999999,44.06763,
10188,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:19].[C:2](=[C:3]([C:4]([H:13])([H:14])[H:15])[C:5]([C:6](=[O:7])[H:18])([H:16])[H:17])([H:11])[H:12],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-5(2)3-4-6;/h4H,1,3H2,2H3;1H4",70.73017,0.58973,
10189,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:6]([C:3]1([C:4]([H:13])([H:14])[H:15])[C:2]([H:11])([H:12])[C:5]1([H:16])[H:17])([O:7][H:19])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-5(7)6(2)3-4-6/h5,7H,3-4H2,1-2H3/t5-/m0/s1",128.49488,-1.9059599999999999,
10190,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([C:6][O:7][H:19])([H:16])[H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-6(2)4-5-7/h6-7H,3-4H2,1-2H3/t6-/m1/s1",54.874140000000004,35.4666,
10191,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:6]([C:5]([C:3][C:4]([H:13])([H:14])[H:15])([H:16])[H:17])([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-5-6(7)4-2/h6-7H,4-5H2,1-2H3/t6-/m0/s1",103.44104,61.634240000000005,
10192,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@@:6]12[H:18])([H:8])([H:9])[H:10].[O:7]([H:12])[H:19],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10.H2O/c1-4-5-3-6(4,5)2;/h4-5H,3H2,1-2H3;1H2/t4-,5+,6-;/m1./s1",104.02656999999999,26.5055,
10193,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-5(2)3-4(5)6;/h1,4,6H,3H2,2H3;1H4/t4-,5-;/m1./s1",91.66174000000001,87.23699,
10194,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]([H:13])[H:14])[C:5]([C:6][O:7][H:19])([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:18],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-3-6(2)4-5-7;/h7H,2-4H2,1H3;1H",100.75253000000001,65.93547,
10195,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:6](=[C:5]([H:16])[H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-6(3,7)5-2/h4,7H,1,5H2,2-3H3/t6-/m1/s1",75.76442,-5.18936,
10196,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:19])[C:6](=[O:7])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-6(2,3)5-7/h5H,4H2,1-3H3",68.76575,-16.39348,
10197,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]1[O:3][C@@:6]([O:7][H:10])([H:13])[C@@:4]1([O:5][H:12])[H:11])([H:8])[H:9],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-2-3(5)4(6)7-2/h3-6H,1H2/t3-,4+/m1/s1",66.08078,24.714170000000003,
10198,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([O+:3]=[C-:2][C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-7-3-4(6)2-5/h2,4,6H,1H3/t4-/m0/s1",115.38853,68.88064,
10199,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([O:5][H:12])=[C:6]=[O:7])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H4O3.H2/c1-3(6)4(7)2-5;/h7H,1H3;1H",67.69981999999999,31.597590000000004,
10200,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]=[O:3])([H:8])[H:9].[C:4](\[O:5][H:12])(=[C:6](\[O:7][H:10])[H:13])[H:11],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1",InChI=1S/C2H4O2.C2H2O/c3-1-2-4;1-2-3/h1-4H;1H2/b2-1-;,56.53774,31.95682,Retroene
10201,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O+:7]=[C-:6][H:13])[O:3][C@:4]1([O:5][H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-4(6-2)3(5)7-4/h2-3,5H,1H3/t3-,4-/m1/s1",102.3646,83.26168,
10202,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:12])[C@@:4]([C:6](=[O:7])[H:13])([H:11])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-4(6)3(2-5)7-4/h2-3,6H,1H3/t3-,4-/m0/s1",56.06984,17.111420000000003,
10203,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:12])([C:4](=[O:5])[H:11])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3",46.191559999999996,9.48343,
10204,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6]([O:7][H:12])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h5H,2H2,1H3",40.683479999999996,0.67176,
10205,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1](/[C:2]([O:3][H:13])=[C:4](\[O:5][H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C3H6O2.CO/c1-3(5)2-4;1-2/h2,4-5H,1H3;/b3-2+;",45.91879,13.16055,
10206,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[O:3][C@@:6]([O:7][H:12])([H:13])[C@:4]1([H:11])[O:5]2)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-4-2(6-4)3(5)7-4/h2-3,5H,1H3/t2-,3-,4+/m0/s1",50.15218,36.08314,
10207,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])/[C:4]([O:5][H:11])=[C:6](/[O:7][H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,5,7H,1H3/b4-2-",61.421319999999994,3.28899,ketoenol
10208,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C-:2]#[O+:3].[C:1]([O:7]/[C:6](=[C:4](\[O:5][H:12])[H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C3H6O2.CO/c1-5-3-2-4;1-2/h2-4H,1H3;/b3-2-;",95.51805999999999,23.98901,
10209,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:10])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])[H:9],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,6-7H,1H2/t4-/m0/s1",67.64076999999999,12.13775,ketoenol
10210,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:12])=[C:4](/[O:5][C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-4(6)2-7-3-5/h2-3,6H,1H3/b4-2-",47.72234,3.08632,
10211,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:6](=[O:7])[H:13])[O:3][C@:4]1([O:5][H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-4(2-5)3(6)7-4/h2-3,6H,1H3/t3-,4+/m1/s1",69.58471,20.27105,
10212,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6][O:7][H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h4-5,7H,1H3/t4-/m0/s1",82.18088,54.926719999999996,
10213,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C@@:4]1([H:11])[O:5][C@:6]1([O:7][H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-2(5)3-4(6)7-3/h3-4,6H,1H3/t3-,4-/m1/s1",57.03615,19.078689999999998,
10214,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]12[O:3][C:6]([H:13])([C@@:4]1([O:5][H:12])[H:11])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-4-2(5)3(6-4)7-4/h2-3,5H,1H3/t2-,3?,4?/m0/s1",67.98047,57.97224,
10215,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]=[C:4]=[N:5][H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]=[N:7][H:13],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C3H6N2.CHN/c1-2-5-3-4;1-2/h4H,2H2,1H3;2H",58.71923,35.41174,
10216,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4](=[N:5][H:14])[N+:7]#[C-:6])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-3-7-4(5)6-2/h3H2,1H3,(H2,5,7)",48.58847,17.13159,
10217,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:12])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H5N3.H2/c1-2-7-4(6)3-5;/h2,6H,1H3;1H/b6-4+,7-2+;",91.60969,29.4146,
10218,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([N:3]([C:2]([N:5]([C+:4]=[C:6]=[N-:7])[H:14])([H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-6-4-7-3-2-5/h6-7H,4H2,1H3",127.3456,49.30327,
10219,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:13])[C:4](=[N:5]/[H:14])/[C:6]1=[N:7]/[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-2-3(5)4(6)7-2/h2,5H,1H3,(H2,6,7)/b5-3+/t2-/m1/s1",95.7485,15.919189999999999,
10220,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:6](/[C:4]([N:3]([C+:2]([H:11])[H:12])[H:13])=[N:5]\[H:14])=[N-:7])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-3(5)4(6)7-2/h2H2,1H3,(H2,6,7)",103.1428,90.18595,
10221,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:3](=[C:4]([N:5]([H:11])[H:14])[C:6]#[N:7])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2,7H,6H2,1H3",47.80076,33.43392,
10222,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[C:4](/[N:5]([H:13])[H:14])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)",45.11345,0.49044,
10223,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[N-:3]([C+:4]([N:5]([H:8])[H:14])[C:6]#[N:7])[H:13],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C2H3N3.C2H4/c3-1-2(4)5;1-2/h4H,5H2;1-2H2",54.79801,21.6152,Retroene
10224,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[N:3]([H:13])[C:4](=[N:5]/[H:14])/[C:6]1=[N:7]/[H:8],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c5-3-1-2-7-4(3)6/h5H,1-2H2,(H2,6,7)/b5-3+",89.72006,-3.2246099999999998,
10225,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4][N:5]([C:6]#[N:7])[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-2-6-4-7-3-5/h6-7H,2H2,1H3",74.92464,36.28465,
10226,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([N:5]([C:4]([N:3]([C+:2]([H:11])[H:12])[H:13])=[C:6]=[N-:7])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-6-4(3-5)7-2/h6-7H,1H2,2H3",90.07054000000001,45.431309999999996,
10227,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4][N:5]([N+:7]#[C-:6])[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-3-6-4-7-5-2/h6-7H,3H2,1H3",105.38763999999999,80.53639,
10228,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2]([N:3]([C+:4]=[N:5][H:14])[H:13])([H:11])[H:12].[C:1]([C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C2H4N2.C2H3N/c1-4-2-3;1-2-3/h1H2,(H2,3,4);1H3",103.09407,73.37732,
10229,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:13])[C:4]([N-:5][H:14])=[C+:6][N:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-3-6-2-4(5)7-3/h3,5-7H,1H3/t3-/m1/s1",88.31415,33.56928,
10230,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4]#[C:6]/[N:7]=[N:5]\[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-2-6-3-4-7-5/h5-6H,2H2,1H3/b7-5-",131.85019,74.66575999999999,
10231,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](#[N:5])[C:6]#[N:7],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C2N2.C2H7N/c3-1-2-4;1-2-3/h;2-3H2,1H3",62.54535,22.919320000000003,
10232,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[N+:4]([C-:5]([H:15])[H:16])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10].[C:3]([H:12])([H:13])([H:14])[H:17],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C4H7NO.CH4/c1-3-5(2)4-6;/h3-4H,2H2,1H3;1H4",94.3843,61.64657,
10233,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])(/[N:4]=[C:6](\[O:7][H:11])[H:18])[C:5]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C5H11NO/c1-5(2,3)6-4-7/h4H,1-3H3,(H,6,7)",129.82888,9.85825,
10234,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([H:11])[H:18])([H:8])([H:9])[H:10].[N:4]([C:5]([H:15])([H:16])[H:17])=[C:6]=[O:7],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C3H8.C2H3NO/c1-3-2;1-3-2-4/h3H2,1-2H3;1H3",86.59559,5.28709,
10235,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])[H:9].[C:3]([H:10])([H:12])([H:13])[H:14],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C4H7NO.CH4/c1-3-5(2)4-6;/h3-4H,1H2,2H3;1H4",110.35325,15.5526,
10236,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([O:7]/[C:6](=[N:4]/[C:5]([H:15])([H:16])[H:17])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C5H11NO/c1-5(2)7-4-6-3/h4-5H,1-3H3/b6-4+",69.94442,16.1216,ketoenol
10237,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N+:4]([C-:5]([H:15])[H:16])([C:6](=[O:7])[H:18])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-6H,3H2,1-2H3",90.13195,76.74494,
10238,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]1[C@:6]([C:5]([H:15])([H:16])[H:17])([H:18])[O:7]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C5H11NO/c1-4(2)6-5(3)7-6/h4-5H,1-3H3/t5-,6?/m1/s1",110.8313,64.59671999999999,
10239,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:4]([C:3]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17])([C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C5H11NO/c1-5(4-7)6(2)3/h4-5H,1-3H3/t5-/m1/s1",129.19248000000002,23.93443,
10240,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:4]([C:5]([H:15])([H:16])[H:17])=[C:6]([O:7][C:3]([H:12])([H:13])[H:14])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C5H11NO/c1-4-6(2)5-7-3/h4-5H,1-3H3",102.45487,74.88316,
10241,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:3](/[C:2](=[N:4]/[C:6](=[O:7])[H:18])[H:11])([H:13])[H:14])([H:8])([H:9])[H:10].[C:5]([H:12])([H:15])([H:16])[H:17],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C4H7NO.CH4/c1-2-3-5-4-6;/h3-4H,2H2,1H3;1H4/b5-3+;",109.75307,17.45992,
10242,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:13])([H:14])[C@@:6]([O:7][H:12])([H:18])[N:4]1[C:5]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C5H11NO/c1-4-3-5(7)6(4)2/h4-5,7H,3H2,1-2H3/t4-,5-/m0/s1",95.63679,28.57821,
10243,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])(/[N:4]=[C:6](/[O:7][C:5]([H:15])([H:16])[H:17])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C5H11NO/c1-5(2)6-4-7-3/h4-5H,1-3H3/b6-4+",74.55039000000001,15.07264,ketoenol
10244,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]=[C:5]([H:15])[H:16])[H:11])([H:8])([H:9])[H:10].[H:17][H:18],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C4H9N.CO.H2/c1-4(2)5-3;1-2;/h4H,3H2,1-2H3;;1H",86.5537,39.60491,
10245,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:4]\[C:5]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10].[C:3]([C:6](=[O:7])[H:18])([H:12])([H:13])[H:14],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C3H7N.C2H4O/c1-3-4-2;1-2-3/h3H,1-2H3;2H,1H3/b4-3-;",97.64473000000001,31.0164,
10246,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[N:4](\[C:5]([H:15])([H:16])[H:17])=[C:6](/[O:7][H:12])[H:18],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C3H6.C2H5NO/c1-3-2;1-3-2-4/h3H,1H2,2H3;2H,1H3,(H,3,4)",58.365669999999994,28.82915,Retroene
10247,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@:2]([C:3]([H:12])([H:13])[H:14])([H:11])[N:4]1[C:5]([H:15])([H:16])[H:17].[C:6](=[O:7])([H:10])[H:18],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C4H9N.CH2O/c1-4-3-5(4)2;1-2/h4H,3H2,1-2H3;1H2/t4-,5?;/m1./s1",118.36281000000001,57.149269999999994,
10248,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])=[C:6]([H:19])[C:7]1([H:20])[H:21].[H:17][H:18],InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2,"InChI=1S/C7H12.H2/c1-2-4-6-7-5-3-1;/h1-2H,3-7H2;1H",114.03792,26.1503,
10249,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21],[C:1](=[C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([H:20])[H:21])[H:19])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])[H:10])([H:8])[H:9].[H:11][H:18],InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2,"InChI=1S/C7H12.H2/c1-3-5-7-6-4-2;/h3-4H,1-2,5-7H2;1H",99.02488000000001,46.13539,
10250,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C+:1]#[C:2][C:3]1=[C:4]([H:9])[N:5]([H:10])[N-:6][C:7]1([H:8])[H:11],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h3,6H,4H2",118.89781,86.11310999999999,
10251,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2][C@:7]1([H:11])[C+:3]=[C:4]([H:9])[N:5]([H:10])[N-:6]1)[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,4-6H/t5-/m1/s1",102.92367,92.86163,
10252,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2][C@:3]1([H:9])[C:4][N:5]([H:10])[N:6]=[C:7]1[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3,5,7H/t5-/m0/s1",69.06284000000001,60.2571,Singlet_Carbene_Intra_Disproportionation
10253,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2][C:3]([C:4](=[N:5][H:10])[H:9])=[C:7]=[N:6][H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5(3-6)4-7/h1,3,6-7H",78.95382,24.46601,
10254,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1]1([H:8])=[C:2]=[C:3](/[C:4](=[N:5]/[H:10])[H:9])[C:7]([H:11])=[N:6]1,"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c6-3-5-1-2-7-4-5/h2-4,6H/b6-3+",157.41021,66.15813,
10255,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1]1([H:8])=[C:2]=[C:3]=[C:4]([H:9])[N:5]([H:10])[N:6]=[C:7]1[H:11],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-4-6-7-5-3-1/h2,4-5,7H",115.90545,74.1745,
10256,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1]1([H:8])=[C:4]([H:9])[N:5]([H:10])[N:6]=[C:7]([H:11])[C:3]#[C:2]1,"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-4-6-7-5-3-1/h2,4-6H",98.45643000000001,63.90579,
10257,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C@:1]12([H:8])[C:2][C@:3]3([C@@:4]1([H:9])[N:5]2[H:10])[N:6]=[C:7]3[H:11],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-3-4(7-3)5(1)2-6-5/h2-4,7H/t3-,4-,5-/m0/s1",169.98983,119.60415,
10258,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2][C:3](=[C:4]([N:5]([C:7]#[N:6])[H:10])[H:9])[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-3-4-7-5-6/h1,3-4,7H",115.2381,12.04875,
10259,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2][C:3]1=[C:7]([H:11])[N:6]=[N:5][C:4]1([H:9])[H:10])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3H,4H2",52.460919999999994,28.517429999999997,
10260,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](=[C:2]=[C:3]=[C:4]([N:5]([N+:6]#[C-:7])[H:10])[H:9])([H:8])[H:11],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-3-4-5-7-6-2/h5,7H,1H2",97.94519,67.13756,
10261,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2][C:4](=[C:3]=[C:7](/[N:6]=[N:5]/[H:10])[H:11])[H:9])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-3-4-5-7-6/h1,3,5-6H/b7-6+",93.63145,65.53129,
10262,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2][C@:3]1(/[C:4](=[N:5]/[H:10])[H:9])[N:6]=[C:7]1[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5(3-6)4-7-5/h1,3-4,6H/b6-3+/t5-/m1/s1",90.1608,48.46055,
10263,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](=[C:2]=[C:3]1[C:4]([H:9])=[N:5][N:6]=[C:7]1[H:11])([H:8])[H:10],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h3-4H,1H2",119.42929,20.663529999999998,
10264,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2][C@:4]1([H:9])[C+:3]=[C:7]([H:11])[N-:6][N:5]1[H:10])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,4-5,7H/t5-/m1/s1",93.55655,86.04302,
10265,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2][c:3]1[c+:4]([H:9])[n:5]([H:10])[n:6]([H:11])[c-:7]1)[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3,6-7H",79.0033,52.58576,
10266,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])=[C:4]=[C:5]=[C:6]([O:7][H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5,7H,1-2H3",59.29407,11.5063,
10267,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:4]=[C:5]([C:3]([H:12])([H:13])[H:14])[C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-3-4-6(2)5-7/h3,5H,1-2H3",93.0437,-4.64165,
10268,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@:2]([C:3]([H:12])([H:13])[H:14])([H:11])[C:4]/[C:5]1=[C:6](/[O:7][H:10])[H:15],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-5-2-6(3-5)4-7/h4-5,7H,2H2,1H3/b6-4+/t5-/m1/s1",93.68794,58.427530000000004,
10269,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:14])[C@:5]([C:6](=[O:7])[H:15])([H:13])[C:4]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-5-2-6(3-5)4-7/h4-6H,2H2,1H3/t5-,6+/m0/s1",86.99285,62.25558,
10270,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([C:3]([H:12])([H:13])[H:14])([H:11])[C:4]1=[C:5]=[C:6]([O:7][H:9])[H:15],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-5-4-6(5)2-3-7/h3,5,7H,4H2,1H3/t2?,5-/m1/s1",71.69918,22.94451,
10271,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([O+:7]=[C:6]([C:5]#[C-:4])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-4-5-7-6(2)3/h5-6H,2-3H3",96.1963,53.52459,
10272,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])=[C:4]=[C:5]=[C:6]=[O:7])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3",InChI=1S/C6H6O.H2/c1-6(2)4-3-5-7;/h1-2H3;1H,66.03125,28.70587,
10273,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[C:5]=[C:6]=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-6(2)4-3-5-7/h4,6H,1-2H3",73.28681,-0.81398,
10274,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([C:3]([H:12])([H:13])[H:14])([H:11])[C:4]1=[C:5]=[C:6]=[O:7].[H:9][H:15],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H6O.H2/c1-5-4-6(5)2-3-7;/h5H,4H2,1H3;1H/t5-;/m1./s1",86.23089,42.56657,
10275,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C+:2]([C:3]([H:12])([H:13])[H:14])[C:4](=[C:5]=[C:6]([O-:7])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-6(2)4-3-5-7/h4-5H,1-2H3",64.12839,41.95023,
10276,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:7][C:6](=[C:5]=[C:4]=[C:2]([C:3]([H:12])([H:13])[H:14])[H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-3-4-5-6-7-2/h3,6H,1-2H3",108.20546000000002,23.43845,
10277,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]#[C:6][H:15])=[O:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3",69.31329000000001,-1.38406,
10278,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])=[C:4]=[C:5]([C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-6(2)4-3-5-7/h3,5H,1-2H3",64.04722,-5.72227,
10279,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:4](=[C:2](/[C:3]([H:12])([H:13])[H:14])[H:11])[C+:5]=[C:6]([O-:7])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-3-6(2)4-5-7/h3,5H,1-2H3/b6-3-",76.34906,44.09897,
10298,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]([C@:5]1([H:14])[C:4]([H:12])([H:13])[C-:3]=[C:7]([H:16])[C+:6]1[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H9N/c1-7-6-4-2-3-5-6/h2,4,6-7H,5H2,1H3/t6-/m0/s1",70.3533,31.535709999999998,
10299,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:12])[C@:3]2([H:11])[C-:4]([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H8N/c1-7-5-2-3-6(7)4-5/h2-6H,1H3/q-1/p+1/t5-,6+",66.09893000000001,63.419909999999994,
10300,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1](=[N+:2]1[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[C-:6]=[C:7]2[H:16])([H:8])[H:9].[H:10][H:15],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H7N.H2/c1-7-5-2-3-6(7)4-5;/h2,5-6H,1,4H2;1H/t5-,6+;/m1./s1",107.16207,90.97798,
10301,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1](/[C:7](=[C:6](\[C@:5]1([H:14])[N:2]=[C:3]([H:11])[C:4]1([H:12])[H:13])[H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H9N/c1-2-3-6-4-5-7-6/h2-3,5-6H,4H2,1H3/b3-2-/t6-/m0/s1",100.87446,-17.46379,
10302,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[C:6]([H:15])([H:16])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h5-6H,2,4H2,1H3/t5-,6+/m0/s1",64.71539,56.27061,Singlet_Carbene_Intra_Disproportionation
10303,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@:3]([C:4]([H:12])([H:13])[H:15])([H:11])[C:7]([H:16])=[C:6]=[C:5]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H9N/c1-6-4-3-5-7(6)2/h4-6H,1-2H3/t6-/m0/s1",98.54039,12.32837,
10304,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1]([N+:2]12[C@@:3]([H:11])([C-:4]1[H:12])[C:7]([H:16])=[C:6]([H:15])[C:5]2([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H9N/c1-7-4-2-3-6(7)5-7/h2-3,5-6H,4H2,1H3/t6-,7?/m1/s1",78.01822,34.33137,
10305,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1](=[N+:2]1[C@:3]2([H:11])[C-:4]([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])[H:9].[H:10][H:12],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H7N.H2/c1-7-5-2-3-6(7)4-5;/h2-6H,1H2;1H/t5-,6+;",96.16445999999999,95.3754,
10306,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H9N/c1-7-5-3-2-4-6(5)7/h2-3,5-6H,4H2,1H3/t5-,6+,7?/m1/s1",38.8201,-20.50139,
10307,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1]([N+:2]1=[C:5]([H:14])[C:4]([H:12])([H:13])[C-:3]1[H:11])([H:8])([H:9])[H:10].[C:6](#[C:7][H:16])[H:15],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C4H7N.C2H2/c1-5-3-2-4-5;1-2/h3-4H,2H2,1H3;1-2H",70.61999,65.65134,
10308,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:7]([H:16])[C@@:6]2([H:15])[C:4]([H:12])([H:13])[C@@:5]12[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H9N/c1-7-3-2-5-4-6(5)7/h2-3,5-6H,4H2,1H3/t5-,6+/m0/s1",45.288909999999994,-23.721829999999997,
10309,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[C:6]([C:7]([H:19])([H:20])[H:21])[H:17])([H:15])[H:16].[H:14][H:18],"InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3","InChI=1S/C3H6O.C3H6.H2/c1-2-3-4;1-3-2;/h3H,2H2,1H3;3H,1H2,2H3;1H",73.98744,30.9087,
10310,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[O:4][C:5]([C:6]([C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])[H:13])[H:11])([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3","InChI=1S/C6H12O.H2/c1-3-5-7-6-4-2;/h3,5H,4,6H2,1-2H3;1H/b5-3+;",107.46868,26.83826,
10311,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[O:4]([C:5]([C:6]([C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])[H:12],"InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3","InChI=1S/C3H8O.C3H6/c1-2-3-4;1-3-2/h4H,2-3H2,1H3;3H,1H2,2H3",68.7914,13.938279999999999,"1,3_Insertion_ROR"
10312,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([H:9])[H:10].[C:2]1([H:8])([H:11])[C@@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@@:6]1([O:7][H:17])[H:16],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C4H8O2.CH2/c5-3-1-4(6)2-3;/h3-6H,1-2H2;1H2/t3-,4+;",106.73985,112.17128000000001,"1,2_Insertion_carbene"
10313,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C@@:2]12([H:11])[C@@:3]([O:4][H:13])([H:12])[C@:5]1([H:14])[C@@:6]2([O:7][H:17])[H:16],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C4H6O2.CH4/c5-3-1-2(3)4(1)6;/h1-6H;1H4/t1-,2+,3-,4+;",129.51701,34.055240000000005,
10314,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])=[C:6]1[H:16])([H:8])([H:9])[H:10].[O:7]([H:15])[H:17],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H8O.H2O/c1-4-2-3-5(4)6;/h2-6H,1H3;1H2/t4-,5+;/m1./s1",66.89054,17.77212,"1,3_Insertion_ROR"
10315,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[O:4][H:13])[H:12])[H:11])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:17])[H:16])([H:14])[H:15],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h2-4H,1H3;2-3H,1H2/b3-2+;",86.1218,15.71853,
10316,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:6]([C:5]([C:3][O:4][H:13])([H:14])[H:15])([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h5-7H,2-3H2,1H3/t5-/m0/s1",66.97575,38.644940000000005,
10317,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]([O:4][H:13])([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:12])[H:11])([H:9])[H:10].[H:8][H:17],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H8O2.H2/c1-2-5(7)3-4-6;/h2,4-5,7H,1,3H2;1H/t5-;/m1./s1",69.32559,20.85412,
10318,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:6](\[C:5]([C:3](=[O:4])[H:12])([H:14])[H:15])[H:16])[H:11])([H:8])([H:9])[H:10].[O:7]([H:13])[H:17],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H8O.H2O/c1-2-3-4-5-6;/h2-3,5H,4H2,1H3;1H2/b3-2-;",79.42453,-0.73768,
10319,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10].[C:3]([O:4][H:13])[H:12],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C4H8O.CH2O/c1-3-2-4(3)5;1-2/h3-5H,2H2,1H3;1-2H/t3-,4+;/m0./s1",107.66308000000001,80.60262,
10320,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@:6]1([O:7][H:17])[C@:3]([O:4][H:13])([H:12])[C:5]1([H:14])[H:15])[H:11])([H:9])[H:10].[H:8][H:16],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H8O2.H2/c1-2-5(7)3-4(5)6;/h2,4,6-7H,1,3H2;1H/t4-,5+;/m0./s1",103.19908000000001,33.2987,
10321,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([O:7][H:17])([H:8])([H:9])[H:10].[C:2]1([H:11])=[C:6]([H:16])[C:5]([H:14])([H:15])[C@@:3]1([O:4][H:13])[H:12],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C4H6O.CH4O/c5-4-2-1-3-4;1-2/h1-2,4-5H,3H2;2H,1H3/t4-;/m1./s1",111.81748999999999,32.431290000000004,"1,3_Insertion_ROR"
10322,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:6]([C:5]([C:3](=[O:4])[H:12])([H:14])[H:15])([O:7][H:17])[H:16])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m0/s1",72.99978,-12.73816,
10323,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3](=[O:4])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H8O2.H2/c1-3-4(6)2-5(3)7;/h3-4,6H,2H2,1H3;1H/t3-,4-;/m1./s1",81.80851,12.04707,
10324,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C@@:3]([O:4][H:13])([C:5]([H:14])([H:15])[H:17])[H:12])([C:6](=[O:7])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H10O2/c1-4(3-6)5(2)7/h3-5,7H,1-2H3/t4-,5+/m1/s1",71.96058000000001,-13.70081,
10325,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]([C:6]([H:18])([H:19])[H:20])=[O:7])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10].[H:17][H:21],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C6H12O.H2/c1-5(2)4-6(3)7;/h5H,4H2,1-3H3;1H",80.86989,12.076880000000001,
10326,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:5]([C:6]([H:18])([H:19])[H:20])([H:17])[C:4]1([H:15])[H:16])([H:8])([H:9])[H:10].[O:7]([H:14])[H:21],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C6H12.H2O/c1-5-3-6(2)4-5;/h5-6H,3-4H2,1-2H3;1H2/t5-,6+;",101.17175,15.166770000000001,
10327,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:12])([H:13])[H:14])[C:4]([H:15])([H:16])[C@:5]1([O:7][H:21])[H:17])([H:8])([H:9])[H:10].[C:6]([H:11])([H:18])([H:19])[H:20],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C5H10O.CH4/c1-5(2)3-4(5)6;/h4,6H,3H2,1-2H3;1H4/t4-;/m1./s1",111.83116000000001,23.42935,
10328,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5](=[C:6]([H:18])[H:19])[O:7][H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10].[H:17][H:20],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C6H12O.H2/c1-5(2)4-6(3)7;/h5,7H,3-4H2,1-2H3;1H",105.17693,23.48722,
10329,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])(/[C:4](=[C:5](/[C:6]([H:18])([H:19])[H:20])[O:7][H:21])[H:15])[H:11])([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C6H12O.H2/c1-5(2)4-6(3)7;/h4-5,7H,1-3H3;1H/b6-4-;",104.05125,23.99633,
10330,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10].[C:4]([C:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:11])([H:15])[H:16],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C3H8O.C3H6/c1-3(2)4;1-3-2/h3-4H,1-2H3;1-2H3",93.14383000000001,88.59888000000001,
10331,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](\[C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])[H:15])[H:11])([H:8])([H:9])[H:10].[C:3]([H:12])([H:13])([H:14])[H:16],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C5H10O.CH4/c1-3-4-5(2)6;/h3-6H,1-2H3;1H4/b4-3-;/t5-;/m1./s1",111.55767,18.945729999999998,
10332,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]([C:3]([H:12])([H:13])[H:14])[C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C5H10O.CH4/c1-3-4-5(2)6;/h5-6H,4H2,1-2H3;1H4/t5-;/m1./s1",94.03076,86.18858,
10333,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5](=[O:7])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10].[C:6]([H:18])([H:19])([H:20])[H:21],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C5H10O.CH4/c1-5(2)3-4-6;/h4-5H,3H2,1-2H3;1H4",83.17656,8.73887,
10334,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:14])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([C:6]([H:18])([H:19])[H:20])[O:7][H:21])([H:15])[H:16].[H:13][H:17],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C3H6O.C3H6.H2/c1-3(2)4;1-3-2;/h4H,1H2,2H3;3H,1H2,2H3;1H",95.8231,46.227470000000004,
10335,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O+:6]=[C-:5][N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-4(2-6-4)7-3-5/h6H,2,5H2,1H3/t4-/m1/s1",103.44400999999999,51.70385,
10336,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:4]\[C:3]([H:11])([H:12])[H:13])[C:5](=[O:6])[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3(6-2)4(5)7/h1-2H3,(H2,5,7)/b6-3+",63.97071999999999,-11.27025,
10337,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C+:5]([O:6][H:12])[N:7]([H:14])[H:15])[C-:3]([H:11])[N:4]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h2,6-7H,5H2,1H3/t4-/m0/s1",103.43729,78.80073,
10338,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[N:4]/[H:13])[H:12])=[C:5](/[O:6][H:11])[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3(2-5)4(6)7/h2,5,7H,6H2,1H3/b4-3-,5-2+",75.58685,4.54699,
10339,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:3]([N+:4](=[C:2]=[C:5]([O-:6])[N:7]([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-2-6-3-4(5)7/h7H,2,5H2,1H3",96.60845,24.71441,
10340,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:5](=[O:6])[N:7]([H:14])[H:15])([H:8])([H:9])[H:10].[C:2]1[C:3]([H:11])([H:12])[N:4]1[H:13],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C2H5NO.C2H3N/c1-2(3)4;1-2-3-1/h1H3,(H2,3,4);3H,1H2",96.76259,64.94261,
10341,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([N:7]([H:14])[H:15])[O:6][N:4]([H:13])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3-2-6-7-4(3)5/h6H,2,5H2,1H3",83.47195,43.84317,ketoenol
10342,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:6]/[C:5](=[C:2]1\[C:3]([H:11])([H:12])[N:4]1[H:13])[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-7-4(5)3-2-6-3/h6H,2,5H2,1H3/b4-3+",105.98418000000001,52.80973,ketoenol
10343,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([N:4]([C:5](=[O:6])[N:7]([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h3H2,1H3,(H3,5,6,7)",68.9381,58.982440000000004,
10344,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N+:4](=[C:3]([H:11])[H:12])[H:13])=[C:5]([O-:6])[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3(6-2)4(5)7/h7H,2,5H2,1H3",48.855290000000004,23.96629,
10345,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1(/[C:5]([O:6][H:14])=[N:7]\[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1",46.032340000000005,13.413020000000001,ketoenol
10346,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])[H:9].[C:5]([O:6][H:10])[N:7]([H:14])[H:15],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C3H5N.CH3NO/c1-3-2-4-3;2-1-3/h4H,1-2H2;3H,2H2",87.68897,77.35016999999999,
10347,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:5](=[O+:6][N-:4][H:13])[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3(2)4(5)7-6/h6H,1,5H2,2H3",115.92848000000001,84.86627,
10348,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:4]\[H:13])[C@:5]1([N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3(5)4(6)2-7-4/h5H,2,6H2,1H3/b5-3+/t4-/m0/s1",80.88189,24.260679999999997,
10349,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@@:3]([H:12])([N:4]1[H:13])[C@@:5]2([O:6][H:11])[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3-2(6-3)4(3,5)7/h2,6-7H,5H2,1H3/t2-,3+,4+/m1/s1",87.38155,55.73178000000001,
10350,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C-:3]([H:12])[N+:4]1([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h2H,6H2,1H3,(H2,5,7)/t4-/m0/s1",68.48263,61.367380000000004,
10351,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N+:4](=[C-:3][H:11])[H:13])([C:5](=[O:6])[N:7]([H:14])[H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3(6-2)4(5)7/h2-3,6H,1H3,(H2,5,7)/t3-/m1/s1",72.51255,31.9952,
10352,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[N:4]1[C@:5]2([O:6][H:13])[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3-2-6(3)4(3,5)7/h7H,2,5H2,1H3/t3-,4+,6?/m0/s1",65.15236999999999,41.69512,
10353,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[N:4]([H:13])[C@:5]1([N:7]([H:14])[H:15])[O:6]2)([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3-2-6-4(3,5)7-3/h6H,2,5H2,1H3/t3-,4+/m1/s1",86.67335,42.90872,
10354,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:14])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:15],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C3H7N.CHNO/c1-3-2-4-3;2-1-3/h3-4H,2H2,1H3;2H/t3-;/m0./s1",85.45809,17.70723,
10355,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:13])/[C:6](=[N:7]/[H:16])[O:5][C:4]1([H:14])[H:15])([H:8])[H:9].[H:10][H:12],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H7NO.H2/c1-4-2-5(6)7-3-4;/h6H,1-3H2;1H/b6-5-;",120.5471,16.87375,
10356,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C-:4]([H:15])[O+:5]=[C:6]1[N:7]([H:14])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h3H,6H2,1-2H3",104.63611,62.489619999999995,
10357,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3",66.33418,-7.90477,
10358,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])[C:4]([H:14])([H:15])[O+:5]=[C:6]1[N:7]([C-:3]([H:11])[H:13])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H9NO/c1-4-3-7-5(4)6-2/h4,6H,2-3H2,1H3/t4-/m0/s1",108.67107,65.44925,
10359,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]1)([H:8])([H:9])[H:10].[C:6]=[N:7][H:16],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C4H8O.CHN/c1-4(2)3-5-4;1-2/h3H2,1-2H3;2H",96.80426999999999,40.1293,
10360,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1(/[C:6]([C:3]([H:11])([H:12])[H:13])=[N:7]/[H:16])[C:4]([H:14])([H:15])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H9NO/c1-4(6)5(2)3-7-5/h6H,3H2,1-2H3/b6-4+/t5-/m0/s1",96.73536999999999,13.875539999999999,
10361,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([N:7]([C:6]1=[C:2]([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]1)[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H9NO/c1-4-3-7-5(4)6-2/h6H,3H2,1-2H3",117.76313,26.579179999999997,
10362,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C:2][C:4]([O:5]/[C:6]([C:3]([H:11])([H:12])[H:13])=[N:7]\[H:16])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H9NO/c1-3-4-7-5(2)6/h6H,4H2,1-2H3/b6-5-",105.74856000000001,74.73039,
10363,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2]1(=[C:3]([H:11])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C4H5NO.CH4/c1-3-2-6-4(3)5;/h5H,1-2H2;1H4/b5-4-;",120.48788,22.81474,
10364,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]2([C:3]([H:11])([H:12])[H:13])[C@:4]1([H:14])[O:5]/[C:6]2=[N:7]\[H:16].[H:10][H:15],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H7NO.H2/c1-5-2-3(5)7-4(5)6;/h3,6H,2H2,1H3;1H/b6-4-;/t3-,5+;/m1./s1",121.69501000000001,43.55883,
10365,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]1=[C:2]([H:12])[C@@:3]1([C:4]([C@@:5]1([H:11])[C:6]([H:13])=[N:7]1)([H:9])[H:10])[H:8],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1(4-2-6-4)5-3-7-5/h2-5H,1H2/t4-,5-/m0/s1",96.08071,38.776379999999996,
10366,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N+:1](#[C-:2])[C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-6-5-2-4-3-7(4)5/h4-5H,2-3H2/t4-,5+,7?/m0/s1",57.893969999999996,19.55931,
10367,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[N+:7]1[C-:6]([H:12])[H:13],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-7-3-2-5(7)4-6/h3,5H,1-2H2/t5-/m1/s1",61.91281,22.30581,
10368,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:6]([H:12])([H:13])[C:5]([H:11])=[N:7]1,"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-4-5-2-1-3-7-5/h3,5H,1-2H2/t5-/m1/s1",81.55835,-39.10134,
10369,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2]/[C:3](=[N:7]\[C:6]([C:5](=[C:4]([H:9])[H:10])[H:11])([H:12])[H:13])[H:8],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-2-4-7-5-3-6/h2,5H,1,4H2/b7-5-",58.57731999999999,-16.29552,
10370,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1](=[C:2]1/[C@@:3]2([H:8])[C:4]([H:9])([H:10])[C@@:5]3([H:11])[C@:6]1([H:13])[N:7]23)\[H:12],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-4-2-1-3-5(4)7(2)3/h2-3,5-6H,1H2/b6-4-/t2-,3+,5+,7?/m1/s1",99.15117,16.20287,
10371,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C-:5]2[C:6]([H:12])([H:13])[N+:7]12[H:11],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4,7H,1,3H2/t4-/m1/s1",61.046330000000005,49.05002,
10372,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]([C:4]([C:5][H:11])([H:9])[H:10])([N:7]=[C:6]([H:12])[H:13])[H:8],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-3-5(4-6)7-2/h1,5H,2-3H2/t5-/m1/s1",67.77524,62.07655,
10373,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C-:4]([H:10])[C:5]([H:9])([H:11])[N+:7]1=[C:6]([H:12])[H:13],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-7-3-2-5(7)4-6/h2,5H,1,3H2/t5-/m1/s1",95.92568,57.646469999999994,
10374,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C-:3]1[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N+:7]12[H:8],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h5,7H,1,3H2/t5-/m0/s1",74.53324,42.75642,
10375,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N+:1]1#[C:2][C@@:3]2([H:8])[C:4]([H:9])([H:10])[C-:5]([H:11])[N:7]2[C:6]1([H:12])[H:13],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-2-7-4-6-3-5(1)7/h2,5H,1,4H2/t5-/m1/s1",110.07813999999999,68.69881,
10376,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C:3]([N:7]1[C@:5]([C:4][H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-5-4-7(5)3-2-6/h1,5H,3-4H2/t5-,7?/m0/s1",89.66181999999999,66.62531,
10377,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]1([H:12])[C:2][C@@:3]2([H:8])[C:4]([H:9])([H:10])[C@@:5]3([H:11])[C@:6]1([H:13])[N:7]23,"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-3-2-6-5-4(1)7(3)5/h3-6H,1H2/t3-,4+,5+,7?/m1/s1",92.4899,38.90116,
10378,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@:5]1([N:7]=[C:6]([H:12])[H:13])[H:11],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-7-5-2-4(5)3-6/h4-5H,1-2H2/t4-,5-/m1/s1",70.08859,-15.46843,
10379,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C-:6]([H:12])[N+:7]12[H:13],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h3-5,7H,1H2/t4-,5+/m1/s1",66.09269,51.78087,
10380,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5][C:6]([H:12])([H:13])[N:7]1[H:11],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-4-5-2-1-3-7-5/h5,7H,2-3H2/t5-/m1/s1",61.126180000000005,37.05885,
10381,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1](=[C:2]=[C:3]([C:4]([C@@:5]1([H:11])[C:6]([H:13])=[N:7]1)([H:9])[H:10])[H:8])[H:12],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-3-1-2-5-4-7-5/h1,4-6H,2H2/t5-/m0/s1",67.64447,18.80677,
10382,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:5]([C@:4]1([H:13])[C:3]([H:11])([H:12])[C:2][C:7]([H:16])([H:17])[O:6]1)([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-2-6-4-3-5-7-6/h6H,2,4-5H2,1H3/t6-/m1/s1",118.36113999999999,52.4076,
10383,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:5]([H:12])([H:14])[H:15])[C:3]([H:11])=[C:4]([H:13])[O:6][C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-6(2)3-4-7-5-6/h3-4H,5H2,1-2H3",110.44811000000001,-14.543529999999999,
10384,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:7]([O:6][H:13])([H:16])[H:17])[C:3]([H:11])([H:12])[C:4][C:5]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-6(5-7)3-2-4-6/h7H,3-5H2,1H3",75.6012,68.8427,
10385,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:15])[C:3]([H:11])([H:12])[C@:4]([C:5][H:14])([H:13])[O:6][C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-5-3-6(2)7-4-5/h2,5-6H,3-4H2,1H3/t5-,6-/m1/s1",81.06186,64.47416,
10386,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C:7]([O:6][C:4]1([H:13])[C:3]([H:11])([H:12])[C:5]1([H:14])[H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-2-5-7-6-3-4-6/h6H,3-5H2,1H3",129.51418999999999,81.10408000000001,
10387,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:8])([H:9])[H:10].[O:6]=[C:7]([H:16])[H:17],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C5H8.CH2O/c1-5-3-2-4-5;1-2/h3H,2,4H2,1H3;1H2",86.69745,19.19442,
10388,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:7]([O:6][C:4](=[C:5]([H:14])[H:15])[H:13])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-4-7-5-6(2)3/h4H,1-2,5H2,3H3",72.26048,2.16759,
10389,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:5]([H:13])([H:14])[H:15])[C:3]([H:11])([H:12])[C-:4]=[O+:6][C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-6(2)3-4-7-5-6/h3,5H2,1-2H3",68.04084,23.887729999999998,
10390,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:7]([H:16])([H:17])[O:6]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-2-3-6-4-5-7-6/h6H,3-5H2,1H3/t6-/m0/s1",131.4267,75.29651,
10391,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([C:4][H:13])([H:11])[H:12])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-3-6(2)4-7-5-6/h1H,3-5H2,2H3",113.7732,91.38336,
10392,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C@:5]2([H:14])[C:3]([H:11])([H:12])[C@:4]2([H:13])[O:6][C:7]1([H:16])[H:17])([H:8])[H:10].[H:9][H:15],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H8O.H2/c1-4-3-7-6-2-5(4)6;/h5-6H,1-3H2;1H/t5-,6-;/m0./s1",114.39147,26.2177,
10393,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10].[C:5](=[C:6]([H:16])[H:17])([H:14])[H:15],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C5H8.C2H4/c1-5-3-2-4-5;1-2/h2-3,5H,4H2,1H3;1-2H2/t5-;/m1./s1",108.20783999999999,22.75543,
10394,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4](=[C:5]([H:14])[H:15])[C:7]1([H:18])[H:19])([C:6]([H:9])([H:16])[H:17])([H:8])[H:10],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C7H12/c1-3-7-4-6(2)5-7/h7H,2-5H2,1H3",102.32905,-4.34871,
10395,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4]1([C:7]([H:17])([H:18])[H:19])=[C:6]([H:16])[C:5]1([H:14])[H:15],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C4H6.C3H6/c1-4-2-3-4;1-3-2/h2H,3H2,1H3;3H,1H2,2H3",129.64262,39.06528,
10396,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]1([C:7][H:19])[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:12])[H:13])([H:11])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C7H12/c1-3-4-7(2)5-6-7/h2H,3-6H2,1H3",82.9182,66.10423,
10397,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:18])[C:4]2([C:3]1([H:12])[H:13])[C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])([H:8])([H:9])[H:10].[H:11][H:19],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C7H10.H2/c1-6-4-7(5-6)2-3-7;/h4H,2-3,5H2,1H3;1H",112.33372,30.60853,
10398,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2][H:11])([H:8])([H:9])[H:10].[C:3]1([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C5H8.C2H4/c1-2-5(1)3-4-5;1-2/h1-4H2;1H,2H3",118.48177,108.63271,
10399,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C+:2]([C:7]([C:4](=[C:3]([H:12])[H:13])[C:6]([C-:5]([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C7H12/c1-4-6-7(3)5-2/h4H,2-3,5-6H2,1H3",100.6144,101.12482,
10400,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]1=[C:5]([H:14])[C:6]1([H:16])[H:17])([H:12])[H:13])=[C:7]([H:18])[H:19])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C7H10.H2/c1-6(2)5-7-3-4-7;/h3H,1,4-5H2,2H3;1H",133.5391,47.51201,
10401,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([C:4]1([C:7]([H:11])([H:18])[H:19])[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C7H12/c1-3-4-7(2)5-6-7/h4-6H2,1-2H3",79.20082,63.848459999999996,
10402,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4]1(=[C:7]([H:18])[H:19])[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C4H6.C3H6/c1-4-2-3-4;1-3-2/h1-3H2;3H,1H2,2H3",88.27035,27.61611,
10403,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3",InChI=1S/C6H8.CH4/c1-2-6(3-1)4-5-6;/h2-5H2;1H4,95.70342,89.23721,
10404,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:5]([H:11])([H:14])[H:15])[C:3]([H:12])([H:13])[C:4](=[C:6]([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C7H12/c1-6-4-7(2,3)5-6/h1,4-5H2,2-3H3",101.8704,-8.56057,
10405,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[N:4][C:5]([O:6][H:13])=[N:7]1)([H:8])[H:9].[H:10][H:12],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H4N2O.H2/c1-3-2-5-4(7)6-3;/h2H,1H2,(H,6,7);1H",113.88826,39.89544,
10406,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C:5](=[O:6])[N:4]([H:12])[C:3]1([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H2,1H3,(H,5,7)",101.40035,-1.07556,
10407,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C-:3]([H:11])[N:4]([H:12])[C+:5]([O:6][H:13])[N:7]1[H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2,5-7H,1H2",83.48979,62.92963,
10408,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C@:5]([O:6][H:13])([H:12])[N:4]=[C:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2,4,7H,1H3/t4-/m0/s1",53.567280000000004,24.59587,
10409,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:7]#[C:2][C-:3]([N+:4](=[C-:5][O:6][H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-5-2-3-6-4-7/h3,6-7H,1H3",137.28191,78.35602,
10410,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([O:6][H:13])=[N:7]1)([H:8])[H:9],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h1-2H2,(H2,5,6,7)",90.53379,14.945829999999999,
10411,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2](=[N:7]/[C:5](=[N:4]/[H:12])[O:6][H:13])[C:3]1([H:10])[H:11],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c5-4(7)6-3-1-2-3/h1-2H2,(H2,5,7)",99.42681,46.40169,
10412,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]=[N:7][C:5](=[N:4][H:12])[O:6][H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-2-3-6-4(5)7/h2H,1H3,(H2,5,7)",96.6367,36.51726,
10413,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([n+:7]1[c-:2][c:3]([H:11])[n:4]([H:12])[c:5]1[O:6][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-6-3-2-5-4(6)7/h2,5,7H,1H3",118.7541,60.936330000000005,
10415,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:3][N+:4]([H:11])([H:12])[C:5]([O:6][H:13])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h5H2,1H3,(H,6,7)",91.68766,83.57502,
10416,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[N:4]\[H:12])[H:11])=[N+:7]=[C-:5][O:6][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-4(2-5)6-3-7/h2,5,7H,1H3/b5-2-",80.3211,67.29225,
10417,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[N+:4]([H:12])[C:5]([O:6][H:13])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h3,5H,1H3,(H,6,7)/t3-/m0/s1",56.896519999999995,47.61112,Singlet_Carbene_Intra_Disproportionation
10418,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2](/[C:3](=[N:4]/[H:12])[H:11])/[N:7]=[C:5](/[O:6][H:13])[H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-4(2-5)6-3-7/h2-3,5H,1H2,(H,6,7)/b5-2+",121.19605,33.93432,
10419,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5](=[O:6])[n:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)",40.266999999999996,-8.21247,ketoenol
10420,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C:5]([O:6][H:13])=[N:4][C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H2,1H3,(H,5,7)",47.42954,9.62805,
10421,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[C:3](=[C:4](/[O:5][H:8])[H:12])(\[C:6]#[C:7][H:13])[H:11].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C4H4O.CH2O/c1-2-3-4-5;1-2/h1,3-5H;1H2/b4-3+;",33.48073,21.45505,Retroene
10422,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[C:2](=[C:3]([C:6]#[C:7][H:13])[H:11])([H:9])[H:10].[O:1]([C:4](=[O:5])[H:12])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C4H4.CH2O2/c1-3-4-2;2-1-3/h1,4H,2H2;1H,(H,2,3)",62.12985,-0.66815,
10423,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[C:3]([C:4](=[O:5])[H:12])(=[C:6]=[C:7]([H:8])[H:13])[H:11].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C4H4O.CH2O/c1-2-3-4-5;1-2/h3-4H,1H2;1H2",39.01654,11.49253,Retroene
10424,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4](=[O:5])[H:12])=[C:6]=[C:7]([H:11])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h3,7H,1,4H2",69.73458000000001,-7.201960000000001,
10425,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[C-:4]#[O+:5].[O:1]([C:2]([C:3](=[C:6]=[C:7]([H:12])[H:13])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C4H6O.CO/c1-2-3-4-5;1-2/h3,5H,1,4H2;",45.384370000000004,-3.56635,
10426,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@@:3]([C:6]#[C:7][H:13])([H:11])[C@@:4]1([O:5][H:8])[H:12],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c1-2-4-3-7-5(4)6/h1,4-6H,3H2/t4-,5+/m0/s1",52.32158,13.533970000000002,
10427,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@@:3]1([C@@:4]([O:5][H:8])([C:6]#[C:7][H:13])[H:12])[H:11],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c1-2-4(6)5-3-7-5/h1,4-6H,3H2/t4-,5+/m0/s1",78.99381,22.77682,
10428,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@:3]([C:4](=[O:5])[H:12])([H:11])[C:6]1=[C:7]([H:8])[H:13],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c1-4-5(2-6)3-7-4/h2,5H,1,3H2/t5-/m1/s1",76.40802,-8.10435,
10429,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[C:4](\[O:5][C:6]#[C:7][H:13])[H:12])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c1-2-7-5-3-4-6/h1,3,5-6H,4H2/b5-3-",94.44216999999999,28.95337,ketoenol
10430,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C@@:2]1([H:10])[C@:3]([C:4](=[O:5])[H:12])([H:11])[C:6]1=[C:7]([H:9])[H:13])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c1-3-4(2-6)5(3)7/h2,4-5,7H,1H2/t4-,5+/m0/s1",72.27645,1.1384299999999998,
10431,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[C:4](=[O:5])([H:8])[H:12].[O:1]=[C:2]([C:3]([C:6]#[C:7][H:13])([H:10])[H:11])[H:9],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C4H4O.CH2O/c1-2-3-4-5;1-2/h1,4H,3H2;1H2",95.27193,17.76492,
10432,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[C+:3](=[C:6]=[C-:7][H:13])[H:11].[O:1]([C:2]([C:4](=[O:5])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C3H2.C2H4O2/c1-3-2;3-1-2-4/h1-2H;1,4H,2H2",93.81675,89.84379,
10433,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[C:4](\[O:5][H:11])[H:12])[C:6]#[C:7][H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,6-7H,4H2/b5-3-",67.26937,1.55873,ketoenol
10434,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])=[C:7]([H:13])[C:6]1=[O:5])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c6-3-4-1-2-5(4)7/h1-2,4,6H,3H2/t4-/m1/s1",110.66328999999999,-10.68448,
10435,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1](/[C:2]([O:3][H:10])=[C:4](\[N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:11])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h3,7H,1-2,5H2/b4-3+",63.55033,23.85603,ketoenol
10436,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[C:2]1(=[O:3])[C:4]([H:10])([H:11])[N:5]2[C:6]([H:12])([H:13])[C@:7]12[H:15].[N:1]([H:8])([H:9])[H:14],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H5NO.H3N/c6-4-2-5-1-3(4)5;/h3H,1-2H2;1H3/t3-,5?;/m1./s1",91.07446999999999,35.65318,
10437,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1]([C-:2]=[O+:3][C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H8N2O/c5-3-7-4-6-1-2-6/h1-2,4-5H2",103.99401,50.40996,
10438,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:10])[H:11].[N:1](=[C:2]=[O:3])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C3H7N.CHNO/c1-4-2-3-4;2-1-3/h2-3H2,1H3;2H",85.18005,14.61435,
10439,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([N+:5]1([H:13])[C-:6]([H:12])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1,6H,2-3H2,(H2,5,7)",67.71670999999999,57.24645,
10440,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]([O:3][H:12])=[C:4]([H:10])[H:11])([H:8])[H:9].[N:5]1=[C:6]([H:13])[C:7]1([H:14])[H:15],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C2H5NO.C2H3N/c1-2(3)4;1-2-3-1/h4H,1,3H2;1H,2H2",77.72573,46.71973,Retroene
10441,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[C:4](=[N:5][C:6]([C:7]([H:8])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11].[N:1](=[C:2]=[O:3])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C3H7N.CHNO/c1-3-4-2;2-1-3/h2-3H2,1H3;2H",81.13548,-2.23885,
10442,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([N+:5]([C-:6]([H:12])[H:13])=[C:7]([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H8N2O/c1-6(2)3-4(5)7/h1-3H2,(H2,5,7)",50.64082,25.512420000000002,
10443,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1](=[C:2](/[O:3][H:9])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])\[H:8],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)",45.22891,12.153789999999999,ketoenol
10444,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[H:10][H:14].[N:1]([C:2]([O-:3])=[C:4]([N+:5]1=[C:7]([H:15])[C:6]1([H:12])[H:13])[H:11])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H6N2O.H2/c5-4(7)3-6-1-2-6;/h1,3H,2,5H2;1H",84.57529,66.44984000000001,
10445,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[H:9][H:10].[N:1](=[C:2]1\[O:3][C@:4]1([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:11])\[H:8],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H6N2O.H2/c5-3-4(7-3)6-1-2-6;/h4-5H,1-2H2;1H/b5-3-;/t4-;/m1./s1",86.45558,62.87604,
10446,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[C-:4]([N+:5]1=[C:7]([H:15])[C:6]1([H:12])[H:13])([H:10])[H:11].[N:1]([C:2](=[O:3])[H:14])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C3H5N.CH3NO/c1-4-2-3-4;2-1-3/h2H,1,3H2;1H,(H2,2,3)",88.60826,69.79763,
10447,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[H:13][H:15].[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])=[C:7]1[H:14])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H6N2O.H2/c5-4(7)3-6-1-2-6;/h1-2H,3H2,(H2,5,7);1H",120.03165,74.69823000000001,
10448,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[H:9][H:14].[N:1]1([H:8])[C:2](=[O:3])[C:4]([H:10])([H:11])[N:5]2[C:6]([H:12])([H:13])[C@:7]12[H:15],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H6N2O.H2/c7-4-2-6-1-3(6)5-4;/h3H,1-2H2,(H,5,7);1H/t3-,6?;/m1./s1",96.6594,19.232210000000002,
10449,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]1([O:3][H:12])[C:4]([H:10])([H:11])[N:5]2[C@@:6]1([H:13])[C:7]2([H:14])[H:15])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H8N2O/c5-4(7)2-6-1-3(4)6/h3,7H,1-2,5H2/t3-,4+,6?/m0/s1",85.89792,36.26802,
10450,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3][C:6]([O:7][C:4]([O:5][H:13])([H:11])[H:12])([H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C4H8O3/c5-2-1-3-7-4-6/h5-6H,2-4H2",103.75366,71.68968000000001,
10451,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[C@:3]1([C:4]([O:5][H:13])([H:11])[H:12])([H:8])[C:6]([H:14])([H:15])[O:7]1.[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C3H6O2.CH2O/c4-1-3-2-5-3;1-2/h3-4H,1-2H2;1H2/t3-;/m0./s1",95.1773,20.55443,
10452,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[C:2]([C@:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)[H:9].[O:1]([H:8])[H:10],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C4H6O2.H2O/c1-4(2-5)3-6-4;/h1,5H,2-3H2;1H2/t4-;/m0./s1",83.18831,86.74176,
10453,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([O:5][H:13])([H:11])[H:12])([O+:7]=[C-:6][H:15])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C4H8O3/c1-7-4(2-5)3-6/h1,4-6H,2-3H2",79.78931999999999,49.400729999999996,
10454,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([O:5][H:13])([H:11])[H:12])([C:6][H:15])[O:7][H:14])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C4H8O3/c1-4(7,2-5)3-6/h1,5-7H,2-3H2",75.87794,63.179959999999994,
10455,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3]([C:4]([O:5][H:13])([H:11])[H:12])([O:7][H:8])[C:6]1([H:14])[H:15],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C4H8O3/c5-1-4(6)2-7-3-4/h5-6H,1-3H2",75.67486,-0.30839,
10456,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[H:12][H:13].[O:1]([C:2]([C@:3]1([C:4](=[O:5])[H:11])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C4H6O3.H2/c5-1-4(2-6)3-7-4;/h1,6H,2-3H2;1H/t4-;/m1./s1",88.45841999999999,22.9756,
10457,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[C:3]1(=[C:4](/[O:5][H:13])[H:11])\[C:6]([H:14])([H:15])[O:7]1.[H:8][H:12].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C3H4O2.CH2O.H2/c4-1-3-2-5-3;1-2;/h1,4H,2H2;1H2;1H/b3-1-;;",94.13035,57.72833000000001,
10458,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C-:3]=[O+:7][C:6]([C:4]([O:5][H:13])([H:11])[H:12])([H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C4H8O3/c5-1-3-7-4-2-6/h5-6H,1-3H2",98.7186,36.70217,
10459,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3]([O:5][H:16])=[C:6](\[C:4]([H:13])([H:14])[H:15])[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10O/c1-4-6(7)5(2)3/h2,7H,4H2,1,3H3/b6-5+",74.79593,44.328720000000004,
10460,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])=[C:6]=[C:7]([O:5][H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10O/c1-3-6(2)4-5-7/h5,7H,3H2,1-2H3",64.01056,-0.9725799999999999,
10461,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])=[C:6]=[C:7]([H:9])[H:17],"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C4H6O.C2H4/c1-3-4(2)5;1-2/h5H,1H2,2H3;1-2H2",56.35115,20.63457,Retroene
10462,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:5][H:16])=[C:6]=[C:7]([C:4]([H:13])([H:14])[H:15])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,7H,4H2,1-2H3",90.84096,-4.4564900000000005,
10463,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:6]#[C:7][H:17])([H:13])[H:14])=[O:5])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H8O.H2/c1-3-5-6(7)4-2;/h1H,4-5H2,2H3;1H",106.3912,14.54405,
10464,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[C:4]([H:13])[H:14])[O:5][H:16])([C:6]#[C:7][H:17])[H:12])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H8O.H2/c1-4-5(2)6(3)7;/h1,5,7H,3H2,2H3;1H/t5-;/m1./s1",124.46659,26.83629,
10465,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:5])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]([H:13])([H:14])([H:15])[H:16],"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C5H6O.CH4/c1-3-5(6)4-2;/h1H,4H2,2H3;1H4",84.55914,7.062119999999999,
10466,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3](\[C:4]([H:13])([H:14])[H:15])([O:5][H:16])=[C:6](\[C:7][H:17])[H:9],"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C4H6O.C2H4/c1-3-4(2)5;1-2/h1,3,5H,2H3;1-2H2/b4-3+;",98.43845999999999,66.34176,
10467,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:4]([H:12])[H:13])([H:8])([H:9])[H:10].[O:5]([C:6]#[C:7][H:15])[H:14],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C3H6O.C2H2O/c1-3(2)4;1-2-3/h4H,1H2,2H3;1,3H",85.34034,22.47851,
10468,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:6]#[C:7][H:15])[O:3][C:4]1([H:12])[H:13])([H:8])([H:9])[H:10].[O:5]([H:11])[H:14],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H6O.H2O/c1-3-5(2)4-6-5;/h1H,4H2,2H3;1H2/t5-;/m0./s1",74.82355,23.59117,
10469,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])/[C:6]1=[C:7](\[O:5][H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O2/c1-5(7)2-4(5)3-6/h3,6-7H,2H2,1H3/b4-3+/t5-/m1/s1",73.40481,2.2770799999999998,
10470,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C@@:4]([O:5][H:14])([H:13])[C:6]1=[C:7]([H:12])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O2/c1-3-4(6)5(3,2)7/h4,6-7H,1H2,2H3/t4-,5+/m1/s1",82.69421,6.34875,
10471,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]1=[C:7]([H:10])[H:15],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O2/c1-4-2-5(4,7)3-6/h6-7H,1-3H2/t5-/m1/s1",96.70314,5.662719999999999,
10472,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])[H:9].[O:3]([H:10])[H:11],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H6O.H2O/c1-3-5(2)4-6;/h1,6H,2,4H2;1H2",68.46418,14.91381,"1,3_Insertion_ROR"
10473,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]([O:3][H:11])([C:6]#[C:7][H:15])[H:13])([H:8])([H:9])[H:10].[C:4]([O:5][H:14])[H:12],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C4H6O.CH2O/c1-3-4(2)5;1-2/h1,4-5H,2H3;1-2H/t4-;/m0./s1",83.31909,78.8484,
10474,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:7](=[C:6])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h3,6-7H,4H2,2H3/t5-/m0/s1",64.76688,49.10779,Singlet_Carbene_Intra_Disproportionation
10475,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:6]=[C:7]([H:14])[H:15])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:12])[H:13],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C4H6O.CH2O/c1-3-4(2)5;1-2/h5H,1H2,2H3;1H2",42.13575,14.901829999999999,Retroene
10476,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2](=[O:3])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C4H4O2.CH4/c1-2-4(6)3-5;/h1,5H,3H2;1H4",90.37396,11.48284,
10477,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[C-:2]=[C:7]([H:15])[C+:5]([N:6]([H:13])[H:14])[N:4]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-3-5(6)7-4/h3-4,7H,6H2,1H3/t4-/m0/s1",84.37674,53.69408000000001,
10478,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:5]1([N:6]([H:13])[H:14])[N:4]([H:12])[C:3]([H:11])=[C:2]=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-5(6)3-2-4-7-5/h3-4,7H,6H2,1H3/t5-/m1/s1",108.44831,73.93409,
10479,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:3][N+:4]([H:11])([H:12])[C:5]([N:6]([H:13])[H:14])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2H,6-7H2,1H3",87.66749,78.53947,
10480,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]=[C:7]([C:5](=[N:4][H:12])[N:6]([H:13])[H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-2-3-4-5(6)7/h2,4H,1H3,(H3,6,7)",99.93259,32.9763,
10481,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[C@:3]1([N:4]([C:5][N:6]([H:13])[H:14])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(4)7-3-6/h2,5,7H,6H2,1H3/t5-/m1/s1",130.10564,80.42764,
10482,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:15])[C+:3]([H:11])[N:4]([H:12])[C:5]([N:6]([H:13])[H:14])=[C-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h3-4,7H,6H2,1H3/t4-/m1/s1",79.29916999999999,78.65802,
10483,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]=[C:5]([N:6]([H:13])[H:14])[N:4]([H:12])[C:3]1([H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h7H,3,6H2,1H3",86.2101,47.6189,
10484,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@:7]1([H:15])[C-:2]=[C:3]([H:11])[N:4]([H:12])[C+:5]1[N:6]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-3-7-5(4)6/h3-4,7H,6H2,1H3/t4-/m1/s1",105.99503999999999,69.79614000000001,
10485,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([N:6]([H:13])[H:14])=[C:7]1[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2,7H,1,3,6H2",88.79556,15.686379999999998,
10486,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[C@@:5]2([N:6]([H:13])[H:14])[C@:3]1([H:11])[N:4]2[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-3-2-5(6)4(3)7-5/h2,4,7H,6H2,1H3/t4-,5+/m1/s1",85.56968,68.66034,Intra_2+2_cycloaddition_Cd
10487,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:7](=[C:2]=[C:3]([N:4]([C:5][N:6]([H:13])[H:14])[H:12])[H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-2-3-4-7-5-6/h2,4,7H,6H2,1H3",135.61696,67.80948000000001,
10488,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])/[C:5]1=[C:7](\[N:6]([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h2-3,7H,6H2,1H3/b5-2-",161.3167,48.17198,
10489,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C+:3]([H:11])[N:4]([H:12])[C:5]([N:6]([H:13])[H:14])=[C-:7]1)([H:8])[H:9].[H:10][H:15],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H6N2.H2/c1-4-2-5(6)7-3-4;/h3,7H,1,6H2;1H",125.72838999999999,103.97147,
10490,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])/[C:5](=[N:6]\[H:14])[C:7]1([H:13])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h3H,2H2,1H3,(H2,6,7)",72.92399,7.302169999999999,
10491,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:3][N:4]([H:12])[C:5]([N:6]([H:13])[H:14])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2,4,7H,6H2,1H3/t4-/m0/s1",57.297430000000006,51.525090000000006,Singlet_Carbene_Intra_Disproportionation
10492,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[C:5](=[N:6][H:14])[N+:4]([H:12])([H:13])[C-:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,6H,7H2,1H3",73.17768000000001,46.95191,
10493,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1(/[C:3](=[N:4]/[H:12])[H:11])[C:5]([N:6]([H:13])[H:14])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-5(3-6)2-4(5)7/h2-3,6H,7H2,1H3/b6-3+/t5-/m0/s1",81.34322,57.47971,
10494,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C+:1]([c:2]1[c-:3][n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H6N2.H2/c1-4-2-5(6)7-3-4;/h2,7H,1,6H2;1H",115.66436999999999,76.06974,
10495,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[C@:5]([N:6]([H:13])[H:14])([H:12])[N:4]=[C:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,5H,6H2,1H3/t5-/m0/s1",47.23703,19.70646,
10496,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[C:5]([N:6]([H:13])[H:14])=[N:4][C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2H,3H2,1H3,(H2,6,7)",41.793620000000004,2.41359,
10497,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[N:4]/[H:12])[H:11])=[C:7]=[C:5]([N:6]([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-5(4-7)2-3-6/h3-4,7H,6H2,1H3/b7-4+",71.22791,45.86844,
10498,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[n:4][c-:5]([N+:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3H,1,6H3",51.36299,39.52129,
10499,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:7][C@:5]([N:6]([H:13])[H:14])([H:15])[N:4]([H:12])[C+:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h3,5,7H,6H2,1H3/t5-/m0/s1",71.30309,69.31335,Singlet_Carbene_Intra_Disproportionation
10500,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C+:3]([H:11])[N:4]([H:12])[C@@:5]([N:6]([H:13])[H:14])([H:10])[C-:7]1[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,5,7H,1,6H2/t5-/m0/s1",121.59168999999999,68.46016,
10501,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])/[C:5](=[N:6]\[H:13])[N:4]([H:12])[C:3]1([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2H,3H2,1H3,(H2,6,7)",93.85244,4.83973,
10502,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C-:4]=[O+:5][C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-2-3-4-7-5-6/h5H,2-3H2,1H3",54.84528,54.62154,
10503,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[O:5])[H:14])([C:6](=[O:7])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-2-5(3-6)4-7/h3-5H,2H2,1H3",72.92696,3.02581,
10504,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[C:4]1([O:5][H:8])[C:6](=[O:7])[H:15],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c6-4-5(7)2-1-3-5/h4,7H,1-3H2",87.41282,14.31735,
10505,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:5][C:4](=[C:3]([H:13])[H:14])[C:6](=[O:7])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-3-7-5(2)4-6/h4H,2-3H2,1H3",92.88789,18.958479999999998,ketoenol
10506,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:4]([C:3]([C:6](=[O:7])[H:15])([H:13])[H:14])=[O:5])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h4H,2-3H2,1H3",87.54234,-2.7343900000000003,
10507,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([O-:5])=[C+:6][O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h2-3H2,1H3,(H-,6,7)",83.23164,50.18954,
10508,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:12])([H:8])([H:9])[H:10].[C:4](=[O:5])=[C:6]([O:7][H:11])[H:15],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C3H6.C2H2O2/c1-3-2;3-1-2-4/h3H,1H2,2H3;1,3H",68.81338000000001,41.66453,Retroene
10509,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([C:3]([C:4][O:5][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C4H8O.CO/c1-2-3-4-5;1-2/h5H,2-3H2,1H3;",60.542359999999995,50.91256,
10510,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:14])([H:8])([H:9])[H:10].[C:3](=[C:4]=[O:5])([C:6](=[O:7])[H:15])[H:13],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3",InChI=1S/C3H2O2.C2H6/c4-2-1-3-5;1-2/h1-2H;1-2H3,90.96137,12.01155,
10511,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:12])[C:3]([H:13])([H:14])[C:4](=[O:5])[C@@:6]1([O:7][H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-3-2-4(6)5(3)7/h3,5,7H,2H2,1H3/t3-,5-/m1/s1",77.34985,9.65271,
10512,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:4](\[O:5][H:14])[C:6](=[O:7])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h3-4,7H,2H2,1H3/b5-3-",72.3063,5.9130199999999995,ketoenol
10513,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[O:5])[O+:7]=[C-:6][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h2H,3-4H2,1H3",65.45721999999999,53.08192,
10514,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C:3](=[C:4]([O:5][H:8])[C:6](=[O:7])[H:15])([H:13])[H:14],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C3H4O2.C2H4/c1-3(5)2-4;1-2/h2,5H,1H2;1-2H2",58.06596999999999,33.131170000000004,Retroene
10515,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]=[O:5])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:14])[H:15],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C4H6O.CH2O/c1-2-3-4-5;1-2/h3H,2H2,1H3;1H2",72.95296,26.935129999999997,
10516,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C@:6]1([H:14])[C:5]([H:12])([H:13])[O:4]/[C:2](=[N:3]/[H:11])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-3-2-6-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m1/s1",98.26916,-7.591889999999999,
10517,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C@:2]1([N:3]([H:11])[H:14])[O:4][C:5]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C3H7NO.CO/c1-3(4)2-5-3;1-2/h2,4H2,1H3;/t3-;/m0./s1",74.9912,17.377470000000002,
10518,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:14])[N:3]([H:11])[C:6](=[O:7])[C:5]([H:12])([H:13])[O:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-3-5-4(6)2-7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1",60.97897,-16.024420000000003,
10519,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:7][C:6](=[C:5]([H:12])[H:13])[H:14])[N:3]([H:11])[O:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-3-6-4(2)5-7-4/h3,5H,1H2,2H3/t4-/m0/s1",113.38,61.26204,
10520,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]([N:3]([H:9])[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2H,1,3,5H2",69.09987,16.3395,
10521,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])/[C:2](=[N:3]\[H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]1([O:7][H:9])[H:14],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c5-4-1-3(6)2-7-4/h3,5-6H,1-2H2/b5-4+/t3-/m1/s1",83.33795,-2.4680400000000002,
10522,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6][O:7][H:14])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h5-6H,3H2,1H3/b5-4+",81.11054,51.57359,
10523,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])[H:11])=[O:4])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-4(7)5-2-3-6/h3H,2H2,1H3,(H,5,7)",54.1442,-15.31884,ketoenol
10524,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C@:6]1([H:14])[C:5]([H:12])([H:13])[O:7]1)[H:11])=[O:4])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-3(6)5-4-2-7-4/h4H,2H2,1H3,(H,5,6)/t4-/m0/s1",42.74896,5.12282,
10525,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]#[N:3])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:11])[H:14].[O:4]=[C:5]([H:12])[H:13],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+",InChI=1S/C2H3N.2CH2O/c1-2-3;2*1-2/h1H3;2*1H2,79.95249,31.952090000000002,
10526,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([N:3]([C-:2]=[O+:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-5-4-7-3-2-6/h2,5H,3H2,1H3",99.86771999999999,45.928020000000004,
10527,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N:3]([H:11])[O:7][C:6]([H:9])([H:14])[C:5]([H:12])([H:13])[O:4]1)([H:8])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-4-5-7-3-2-6-4/h5H,1-3H2",101.5619,54.517959999999995,
10528,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([O:7][C:6](=[C:5]([H:12])[H:13])[H:14])[H:11])=[O:4])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-3-7-5-4(2)6/h3H,1H2,2H3,(H,5,6)",74.13911999999999,34.96132,
10529,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[C:3](=[C:4]=[N:5][H:12])([H:9])[H:10].[O:1]([C:2]1=[C:6]([H:11])[C:7]1([H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C3H4O.C2H3N/c4-3-1-2-3;1-2-3/h1,4H,2H2;3H,1H2",84.00113,69.08003000000001,Retroene
10530,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[O:1]([C:2]1([C:3]([N+:5]#[C-:4])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C5H7NO/c1-6-4-5(7)2-3-5/h7H,2-4H2",57.64261,22.59352,
10531,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[C:3](=[C:4]=[N:5][H:8])([H:9])[H:10].[O:1]=[C:2]1[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C3H4O.C2H3N/c4-3-1-2-3;1-2-3/h1-2H2;3H,1H2",59.61826,46.25647,Retroene
10532,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C:4][N:5]([H:13])[C@:7]1([H:14])[C:6]2([H:11])[H:12])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C5H7NO/c7-5-1-2-6-4(5)3-5/h4,6-7H,1,3H2/t4-,5-/m1/s1",102.07579,45.42923,
10533,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])=[C:6]([H:12])[C:7]1([H:13])[H:14].[O:1]([H:8])[H:11],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C5H5N.H2O/c6-4-3-5-1-2-5;/h1H,2-3H2;1H2",81.23373000000001,39.15361,
10534,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[C:6](=[C:7]([H:13])[H:14])([H:11])[H:12].[O:1]([C:2][C:3]([C:4]#[N:5])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C3H3NO.C2H4/c4-2-1-3-5;1-2/h5H,1H2;1-2H2",69.76131,63.1417,
10535,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[O:1]([C:2](=[C:6]([H:11])[H:12])[C:7]([N:5]=[C:4]=[C:3]([H:9])[H:10])([H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C5H7NO/c1-3-6-4-5(2)7/h7H,1-2,4H2",86.06168000000001,21.619429999999998,
10536,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[O:1]([C:2]([C:3]([C-:4]=[N+:5]=[C:7]([H:13])[H:14])([H:9])[H:10])=[C:6]([H:11])[H:12])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C5H7NO/c1-5(7)3-4-6-2/h7H,1-3H2",90.21705,44.41449,
10537,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]([C:2][C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h3-4,6H,1H2/t4-/m1/s1",80.97195,50.83913,
10538,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]1[C@@:2]2([H:8])[C@:3]3([H:9])[C@@:4]2([H:11])[N:5]([H:10])[C@@:6]1([H:12])[O:7]3,"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c5-1-2-3(1)7-4(5)6-2/h1-5H/t1-,2+,3-,4+",99.49879,26.57286,
10539,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[N:5]#[C:6][H:12].[O:1]=[C:2]([C:3]([C:4]([H:9])([H:10])[H:11])=[O:7])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C3H4O2.CHN/c1-3(5)2-4;1-2/h2H,1H3;1H",79.67528,8.09657,
10540,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O-:1][C:2](=[C:3]1[C:4]([H:10])([H:11])[N:5]([H:9])[C:6]([H:12])=[O+:7]1)[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-3,5H,1H2",74.2662,38.21895,
10541,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1",57.62059,15.771920000000001,ketoenol
10542,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]1[C@@:2]2([H:8])[C@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]2,"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c1-3-4(7-3)6-2-5-1/h2-4H,1H2/t3-,4-/m0/s1",70.19098000000001,14.50896,
10543,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O-:1][C-:2]([N+:5]1=[C:6]([H:12])[O+:7]=[C:3]([H:9])[C:4]1([H:10])[H:11])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c6-3-5-1-2-7-4-5/h2-4H,1H2",77.27696,54.8679,
10544,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[H:10][H:11].[O:1]=[C:2]([C@@:3]1([H:9])[C-:4]=[N+:5]=[C:6]([H:12])[O:7]1)[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1",InChI=1S/C4H3NO2.H2/c6-2-4-1-5-3-7-4;/h2-4H;1H/t4-;/m1./s1,92.94471,81.58888,
10545,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[N:5]#[C:6][H:12].[O:1]=[C:2]([C:4]([C:3](=[O:7])[H:9])([H:10])[H:11])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C3H4O2.CHN/c4-2-1-3-5;1-2/h2-3H,1H2;1H",83.26992,12.81915,
10546,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]=[C:2](/[C:6](=[N:5]\[C:4]([C:3](=[O:7])[H:9])([H:10])[H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c6-3-1-5-2-4-7/h1,3-4H,2H2/b5-1-",101.11305,16.060670000000002,
10547,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])=[N:5][C:6]([H:11])([H:12])[O:7]1)[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h1-2,4H,3H2/t4-/m1/s1",105.61801000000001,7.18748,
10548,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O-:1][C:2](=[C:3]=[O+:7]/[C:6](=[N:5]\[C:4]([H:9])([H:10])[H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c1-5-4-7-3-2-6/h2,4H,1H3/b5-4-",81.49079,74.17483,
10549,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]=[C:2]=[C:3]([O:7]/[C:6](=[N:5]\[C:4]([H:8])([H:10])[H:11])[H:12])[H:9],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c1-5-4-7-3-2-6/h3-4H,1H3/b5-4-",77.11112,33.7083,
10550,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[N:5](=[C:6]=[O:7])[H:12].[O:1]=[C:2]([C:3](=[C:4]([H:10])[H:11])[H:9])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C3H4O.CHNO/c1-2-3-4;2-1-3/h2-3H,1H2;2H",72.99600000000001,-2.22045,
10551,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])=[N:5][C@:6]1([H:12])[O:7]2)[H:11],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c6-3-2-1-5-4(3)7-2/h1-4,6H/t2-,3+,4-/m1/s1",77.62001,37.879740000000005,
10552,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]=[C:2]([C@@:3]([C:4]([N+:5]#[C-:6])([H:10])[H:11])([O:7][H:12])[H:9])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c1-5-2-4(7)3-6/h3-4,7H,2H2/t4-/m1/s1",69.23261,17.87724,
10553,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1](/[C:2](=[C:3]1\[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8])[H:9],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-3,6H,1H2/b4-2+",69.14161999999999,6.98505,ketoenol
10554,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[N:5]#[C:6][H:12].[O:1]1[C@@:2]2([H:8])[C@@:3]([H:9])([C:4]1([H:10])[H:11])[O:7]2,"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C3H4O2.CHN/c1-2-3(4-1)5-2;1-2/h2-3H,1H2;1H/t2-,3-;/m1./s1",97.9101,55.756980000000006,
10555,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([C:5]([H:13])([H:14])[H:15])([C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([C@@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-6(2,4-5)7-5/h3-4H2,1-2H3","InChI=1S/C6H10O/c1-3-4-6(2)5-7-6/h4-5H2,1-2H3/t6-/m0/s1",91.15024,51.975559999999994,
10556,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([C:5]([H:13])([H:14])[H:15])([C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([H:13])([H:14])[H:15])=[C:6]([H:16])[H:17])([H:11])[H:12])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-6(2,4-5)7-5/h3-4H2,1-2H3","InChI=1S/C6H10O/c1-5(2)4-6(3)7/h1,4H2,2-3H3",36.512640000000005,-42.93829,
10557,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C-:5]([O:6][H:12])[N:7]([H:13])[H:14])[C:3]([H:11])=[O+:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2,6H,5H2,1H3/t4-/m0/s1",108.72456000000001,78.49346,
10558,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C@:2]12([C:3]([H:11])([H:12])[O:4]1)/[C:5](=[N:7]/[H:14])[O:6]2,"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C3H3NO2.CH4/c4-2-3(6-2)1-5-3;/h4H,1H2;1H4/b4-2-;/t3-;/m0./s1",98.40381,63.927519999999994,
10559,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([O:4][H:14])([H:11])[H:12])/[C:5](=[N:7]/[H:13])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-4(2-6)3(5)7-4/h5-6H,2H2,1H3/b5-3-/t4-/m1/s1",51.923159999999996,27.080140000000004,
10560,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([N+:7]([C:5](=[C:2]1[C:3]([H:11])([H:12])[O:4]1)[O-:6])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-5-4(6)3-2-7-3/h5-6H,2H2,1H3",129.65469,72.99768,
10561,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:5](=[O+:6][O-:4])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-3(2)4(5)7-6/h1,5H2,2H3",126.78549,88.15009,
10562,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1",57.813880000000005,-17.302529999999997,
10563,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([O:4][C:5](=[O:6])[N:7]([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-2-3-7-4(5)6/h3H2,1H3,(H2,5,6)",81.3015,54.84658,
10564,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1(/[C:5]([O:6][H:14])=[N:7]\[H:13])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1",46.19527,12.94784,ketoenol
10565,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([O+:4]=[C-:3][H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-3(7-2)4(5)6/h2-3H,1H3,(H2,5,6)/t3-/m1/s1",79.26566,50.309329999999996,
10566,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([O:6]/[C:5](=[C:2]1\[C:3]([H:11])([H:12])[O:4]1)[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-6-4(5)3-2-7-3/h2,5H2,1H3/b4-3+",108.2527,54.6088,ketoenol
10567,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:5]2=[N:7][O:6]2)[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H5NO2.H2/c1-4(2-6-4)3-5-7-3;/h2H2,1H3;1H/t4-;/m0./s1",117.28336000000002,110.93275,
10568,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[O:4])[C@:5]1([N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-3(6)4(5)2-7-4/h2,5H2,1H3/t4-/m0/s1",65.78871,17.75358,
10569,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O+:6]=[C-:5][N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-4(2-6-4)7-3-5/h2,5H2,1H3/t4-/m1/s1",98.06389,48.8331,
10570,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:13],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C3H6O.CHNO/c1-3-2-4-3;2-1-3/h3H,2H2,1H3;2H/t3-;/m0./s1",86.56109000000001,16.302429999999998,
10571,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C@:2]1([O-:4])[C:3]([H:11])([H:12])[O+:6]=[C:5]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-4(6)2-7-3(4)5/h2,5H2,1H3/t4-/m0/s1",65.78259,47.72726,
10572,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([O:4][C:3]([C+:2]=[C:5]([O-:6])[N:7]([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-7-3-2-4(5)6/h3,5H2,1H3",114.12011000000001,79.1274,
10573,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3][H:11])([O:4][H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-4(2,7)3(5)6/h1,7H,2H3,(H2,5,6)/t4-/m1/s1",73.80373,69.95925,
10574,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]12[C:5]([H:15])([H:16])[C:6]2=[C:7]([H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-5-3-7(5)4-6(7)2/h6H,1,3-4H2,2H3/t6-,7-/m0/s1",96.5383,6.91803,
10575,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:6]([C:5]([C:4](=[C:3]([H:12])[H:13])[H:14])([H:15])[H:16])=[C:7]1[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h3,5-6H,1,4H2,2H3/t6-/m1/s1",93.8111,11.55972,
10576,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:4](=[C:3]([H:12])[H:13])[H:14])([C:7](=[C:6]=[C:5]([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-4-6-7(3)5-2/h5-7H,1-2H2,3H3/t7-/m0/s1",78.50203,-5.67901,
10577,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:4](\[C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-3-5-7-6-4-2/h1,6-7H,4-5H2,2H3/b7-6-",81.87353,-4.125859999999999,
10578,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5](=[C:6]=[C:7]([H:16])[H:17])[H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h4,6-7H,1,5H2,2H3/t6-,7+/m0/s1",77.79773,-2.56557,
10579,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]2([H:12])[C@@:4]1([H:14])[C:5]([H:15])([H:16])[C:6][C:7]2([H:13])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h5-7H,3-4H2,1H3/t5-,6+,7-",78.0145,39.35463,
10580,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[C@@:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1=[C:7]([H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-5(2)7-4-6(7)3/h7H,1,3-4H2,2H3/t7-/m1/s1",101.88179000000001,-4.78632,
10581,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C@:4]12([H:14])[C:5]([H:15])([H:16])[C:6]1=[C:7]2[H:17],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C4H4.C3H6/c1-3-2-4(1)3;1-3-2/h1,3H,2H2;3H,1H2,2H3/t3-;/m0./s1",96.29608,61.376380000000005,
10582,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4][C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-4-5-6-7(2)3/h1,7H,5H2,2-3H3",71.14251999999999,69.70898000000001,
10583,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]12[C:5]([H:15])([H:16])[C:6][C:7]2([H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-6-5-7(6)3-2-4-7/h6H,3-5H2,1H3/t6-/m0/s1",92.80829,62.74929,
10584,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:12])=[C:4]1[H:14])([H:8])([H:9])[H:10].[C:5](=[C:6]=[C:7]([H:13])[H:17])([H:15])[H:16],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C4H6.C3H4/c1-4-2-3-4;1-3-2/h2-4H,1H3;1-2H2",72.54578000000001,44.81644,Retroene
10585,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C:4]([C:5]([C:6]#[C:7][H:17])([H:10])[H:15])([H:14])[H:16])([H:12])[H:13])[H:11])([H:8])[H:9],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-3-5-7-6-4-2/h1,4H,2,5-7H2",86.92201999999999,-4.39654,
10586,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]=[N:7][C:6]1=[C:2]([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C@:5]21[H:12],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c7-6-5-2-3-1-4(3)5/h2-4H,1H2/t3-,4-/m1/s1",132.77107,87.09187,
10587,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:7]=[C:6]=[C:5]1[H:12])[H:8],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c7-4-5-1-2-6-3-5/h1,4-5H,3H2/t5-/m1/s1",87.36769,75.04993,
10588,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]1[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:5]([C:6]#[N:7])([H:12])[C:4]2([H:10])[H:11],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c6-2-3-1-4-5(3)7-4/h3-5H,1H2/t3-,4+,5-/m0/s1",80.01893000000001,23.014129999999998,
10589,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]=[C:2]=[C:3]([C:4]([C:5](=[C:6]=[N:7][H:8])[H:12])([H:10])[H:11])[H:9],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c6-4-2-1-3-5-7/h2-3,6H,1H2",68.32358,17.33004,
10590,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]([C:2][C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h4-5,7H,1H2/t4-,5+/m0/s1",79.37352,49.12681,
10591,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[C:3]1([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([C:6]#[N:7])[H:12].[O+:1]#[C-:2],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C4H5N.CO/c5-3-4-1-2-4;1-2/h4H,1-2H2;",85.8258,-2.18158,"1,2_Insertion_CO"
10592,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[C@@:3]12([H:9])[C:4]([H:10])([H:11])[C@:5]1([H:12])/[C:6]2=[N:7]\[H:8].[O+:1]#[C-:2],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C4H5N.CO/c5-4-2-1-3(2)4;1-2/h2-3,5H,1H2;/b5-4-;/t2-,3+;/m1./s1",78.45957,38.214929999999995,
10593,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]=[C:6]1[C@@:5]2([H:12])[C@@:3]([H:9])([C:2]([H:8])=[N:7]1)[C:4]2([H:10])[H:11],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c7-5-4-1-3(4)2-6-5/h2-4H,1H2/t3-,4-/m1/s1",108.09841000000002,-3.18418,
10594,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]=[C:2]([C@@:3]([C:4]([H:10])([H:11])[H:12])([C+:5]=[C:6]=[N-:7])[H:9])[H:8],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c1-5(4-7)2-3-6/h4-5H,1H3/t5-/m0/s1",67.65268,66.41229,
10595,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]([C+:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1=[C:6]=[N-:7])[H:8])[H:12],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3,5,7H,1H2/t5-/m1/s1",98.56453,61.07668,
10596,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])=[C:6]=[N:7]1)[H:8],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1,4-5H,2H2/t5-/m1/s1",89.27253,74.47863000000001,
10597,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]=[C:2]1[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C-:6]=[N+:7]1[H:8],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c7-5-4-1-3(4)2-6-5/h3-4,6H,1H2/t3-,4-/m0/s1",84.27613000000001,24.02534,
10598,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[C:3]1([H:9])=[C:5]([H:12])[C:4]1([H:10])[H:11].[C:6](#[N:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C3H4.CHN.CO/c1-2-3-1;2*1-2/h1-2H,3H2;1H;",90.19768,52.49929,
10599,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]([C@:2]1([H:8])[C:3]([H:9])=[C:5]([H:12])[C:4]1([H:10])[H:11])[C:6]#[N:7],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c6-4-7-5-2-1-3-5/h1-2,5H,3H2/t5-/m1/s1",106.61193,27.6454,
10600,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]=[C:2](/[C:3](=[C:5](/[C:4]([C:6]#[N:7])([H:10])[H:11])[H:12])[H:9])[H:8],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c6-4-2-1-3-5-7/h1,3,5H,2H2/b3-1+",89.6279,-4.03172,
10601,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[H:8][H:9].[O:1]=[C:2]=[C:3]1[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H3NO.H2/c6-2-4-1-5(4)3-7;/h4H,1H2;1H/t4-;/m0./s1",89.92557,39.0913,
10602,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1](/[C:2](=[C:3](\[C:5](=[C:4]([H:10])[H:11])[H:12])[H:9])[H:8])[C:6]#[N:7],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c1-2-3-4-7-5-6/h2-4H,1H2/b4-3-",87.34524,23.09372,
10603,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]1[C:2]([H:8])=[C:3]([H:9])[C@@:5]([C:6]#[N:7])([H:12])[C:4]1([H:10])[H:11],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c6-3-5-1-2-7-4-5/h1-2,5H,4H2/t5-/m1/s1",60.0418,-2.47175,ketoenol
10604,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]([C@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]12[H:12])[N+:7]#[C-:6],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c1-6-7-5-3-2-4(3)5/h3-5H,2H2/t3-,4+,5+",147.28288999999998,103.61583,
10605,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]=[C:2](/[N:7]=[C:6]1/[C@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]21[H:12])[H:8],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c7-2-6-5-3-1-4(3)5/h2-4H,1H2/b6-5-/t3-,4+/m1/s1",86.16476,34.05388,
10606,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]1[C:2]([H:8])=[C:3]([H:9])[C:4]([H:10])([H:11])[C@:5]2([H:12])[C:6]1=[N:7]2,"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c1-2-4-5(6-4)7-3-1/h1,3-4H,2H2/t4-/m1/s1",118.7719,109.59467,
10607,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O+:1]([C:2](=[C:3]([C:5](=[C:6]=[N-:7])[H:12])[H:9])[H:8])=[C:4]([H:10])[H:11],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c1-7-5-3-2-4-6/h2-3,5H,1H2",83.08496,57.848690000000005,
10608,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]=[C:2]([C:3]([C:4]([C+:5]=[C:6]=[N-:7])([H:10])[H:11])([H:9])[H:12])[H:8],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c6-4-2-1-3-5-7/h5H,1,3H2",68.64492,69.11692,
10609,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]1[C@:2]2([H:8])[C:6](=[N:7]2)[C@@:5]2([H:12])[C@:3]1([H:9])[C:4]2([H:10])[H:11],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c1-2-3(1)7-5-4(2)6-5/h2-3,5H,1H2/t2-,3+,5-/m1/s1",141.79737,64.37894,
10610,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]=[C:2]=[C:3]([C:4]([C@:5]1([H:12])[C:6]([H:8])=[N:7]1)([H:10])[H:11])[H:9],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c7-3-1-2-5-4-6-5/h1,4-5H,2H2/t5-/m1/s1",88.45713,36.76662,
10611,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[H:8][H:11].[O+:1]#[C:2][C@@:3]1([H:9])[C-:4]([H:10])[C@:5]1([C:6]#[N:7])[H:12],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H3NO.H2/c6-2-4-1-5(4)3-7;/h1,4-5H;1H/t4-,5+;/m0./s1",125.2882,85.81865,
10612,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[C-:4]([H:10])[C@:5]1([C+:6]=[N:7][H:11])[H:12])[H:8],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h1,3-6H/t4-,5+/m0/s1",130.31615,85.45317,
10613,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[H:8][H:12].[O+:1]#[C:2][C@@:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1=[C:6]=[N-:7],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H3NO.H2/c6-2-4-1-5(4)3-7;/h5H,1H2;1H/t5-;/m1./s1",121.18993,74.61691,
10614,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([N+:7]#[C-:6])[H:12])[H:8],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c1-6-5-2-4(5)3-7/h3-5H,2H2/t4-,5-/m1/s1",62.71086999999999,23.58394,
10615,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5][C@:7]1([C:6]([H:12])([H:13])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h5H,2,4H2,1H3/t5-/m1/s1",68.53686,65.69848,
10616,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5][C:6]([H:13])([H:14])[C:7]1([H:12])[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1",InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2-5H2,70.45656,63.92666,
10617,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]([C:2]1=[C:3]([H:8])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:9],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h2,4-5,7H,1,3H2/t4-,5+/m0/s1",69.35217,13.450970000000002,ketoenol
10618,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:3](=[C:4]([H:10])[H:11])([H:8])[H:9].[C:5]1([H:12])=[C:7]([H:15])[C:6]1([H:13])[H:14].[O+:1]#[C-:2],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C3H4.C2H4.CO/c1-2-3-1;2*1-2/h1-2H,3H2;1-2H2;",103.72094,72.88020999999999,
10619,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:6]([H:13])([H:14])[C:5]([H:12])=[C:7]1[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2",88.14919,-9.43518,
10620,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]=[C:2]=[C:7]([C:6]([C:5]([C:4](=[C:3]([H:8])[H:9])[H:10])([H:11])[H:12])([H:13])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2,5H,1,3-4H2",83.04169,18.51282,
10621,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]([C+:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C-:5]2[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:12],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h5,7H,1-3H2/t5-/m1/s1",113.27053000000001,78.0611,
10622,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]1/[C:2](=[C:7](/[C:6]([C:5](=[C:4]([H:10])[H:11])[H:12])([H:13])[H:14])[H:15])[C:3]1([H:8])[H:9],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h2,4H,1,3,5H2/b6-4+",83.86234,47.46777,
10623,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]=[C:2]([C@@:7]1([H:15])[C@:5]([C:4](=[C:3]([H:8])[H:9])[H:11])([H:12])[C:6]1([H:13])[H:14])[H:10],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h2,4-6H,1,3H2/t5-,6-/m0/s1",99.81514,23.9719,
10624,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]=[C:2]=[C:7]([C:5]1([H:12])[C:4]([H:10])([H:11])[C:3]([H:8])([H:9])[C:6]1([H:13])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c7-5-4-6-2-1-3-6/h4,6H,1-3H2",105.21953,21.236729999999998,
10625,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]1[C@:2]2([C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[C@@:7]21[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c1-2-7-6(1)4-3-5(4)6/h4-5H,1-3H2/t4-,5+,6+",134.52128000000002,58.781119999999994,
10626,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]([C:2]1=[C:7]2[C@@:5]([H:12])([C:4]([H:10])([H:11])[C:3]1([H:8])[H:9])[C:6]2([H:13])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4,7H,1-3H2/t4-/m0/s1",76.49155999999999,48.18628,ketoenol
10627,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]1[C:2](=[C:3]([H:8])[H:9])[C@:7]1([C:6]([C:5](=[C:4]([H:10])[H:11])[H:12])([H:13])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c1-3-4-6-5(2)7-6/h3,6H,1-2,4H2/t6-/m1/s1",89.43935,43.75132,
10628,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]=[C:2]([C:3]([C:4](=[C:5]([H:10])[H:12])[H:11])([H:8])[H:9])[C:7](=[C:6]([H:13])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c1-3-5-6(7)4-2/h3-4H,1-2,5H2",106.53838,16.06062,
10629,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[H:9][H:10].[O:1]=[C:2]1[C:3]([H:8])=[C:4]([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H6O.H2/c7-6-2-1-4-3-5(4)6;/h1-2,4-5H,3H2;1H/t4-,5+;/m0./s1",100.47742,28.515359999999998,
10630,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:12])[C:6]([H:14])=[C:7]1[H:15])([H:10])[H:11])([H:8])[H:9])[H:13],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c7-5-1-2-6-3-4-6/h3-6H,1-2H2",94.95148,50.62226,
10631,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]([C@@:2]12[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]3([H:12])[C@:6]1([H:14])[C@@:7]23[H:15])[H:13],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c7-6-2-1-3-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4+,5-,6-",100.102,35.15078,
10632,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O-:1][C:2](=[C+:3][H:9])[C@@:7]1([H:15])[C@:5]([C:4]([H:8])([H:10])[H:11])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c1-4-3-6(4)5(2)7/h2,4,6H,3H2,1H3/t4-,6+/m0/s1",89.85457,88.30095,
10633,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:12])[C@:7]1([C:6]([H:11])([H:13])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h2-3,5H,4H2,1H3/t5-/m1/s1",101.29434,-5.624709999999999,
10634,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C-:2]([N:3]([C:4]1=[O+:5][C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-6-5-4(2)7-5/h3-4,6H,1-2H3/t4-/m0/s1",107.28478999999999,87.48899,
10635,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N+:3](\[C:4]([O-:5])=[C:6]([C:7]([H:14])([H:15])[H:16])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-5(7)6-4-2/h3-4,7H,1-2H3/b5-3?,6-4-",57.47664,41.38447,
10636,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:6](\[C:7]([H:14])([H:15])[H:16])[H:13])[H:11])([H:8])([H:9])[H:10].[N:3](=[C:4]=[O:5])[H:12],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C4H8.CHNO/c1-3-4-2;2-1-3/h3-4H,1-2H3;2H/b4-3-;",51.67151,7.219869999999999,
10637,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]([N:3]([C+:4]([O-:5])[C:6](=[C:7]([H:14])[H:15])[H:13])[H:12])[H:11])([H:9])[H:10].[H:8][H:16],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H7NO.H2/c1-3-5(7)6-4-2;/h3-4,6H,1-2H2;1H",81.5053,33.68783,
10638,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]=[C:4]=[O:5])([C:6](=[C:7]([H:14])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10].[H:12][H:16],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H7NO.H2/c1-3-5(2)6-4-7;/h3,5H,1H2,2H3;1H/t5-;/m1./s1",115.50761000000001,25.18357,
10639,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([O:5][H:13])=[C:6]1[C:7]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h4,6-7H,1-2H3/t4-/m1/s1",85.43395,30.42145,ketoenol
10640,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:6]([C:4]1=[N:3][O:5]1)([C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-4(2)5-6-7-5/h4H,3H2,1-2H3/t4-/m0/s1",83.77776999999999,70.78544000000001,
10641,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O+:5][C-:7]([H:14])[H:15])[C:6]1([H:13])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-4-3-5(6-4)7-2/h4,6H,2-3H2,1H3/t4-/m1/s1",107.23387,89.89428000000001,
10642,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([O:5][C:7]([H:14])([H:15])[H:16])=[C:6]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-4-3-5(6-4)7-2/h3-4,6H,1-2H3/t4-/m1/s1",115.21982,42.86091,ketoenol
10643,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@:2]([N:3]([C:4](=[O:5])[H:8])[H:12])([H:11])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-4-2-5(4)6-3-7/h3-5H,2H2,1H3,(H,6,7)/t4-,5+/m0/s1",112.63712,12.0483,
10644,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C:6]([C:4]([N+:3](=[C-:2][H:11])[H:12])=[O:5])([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-4(2)5(7)6-3/h3-4,6H,1-2H3",125.25598000000001,45.98604,
10645,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]([H:12])[H:16])([C@@:6]1([H:13])[C:4](=[O:5])[C:7]1([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3(6)4-2-5(4)7/h3-4H,2,6H2,1H3/t3-,4+/m1/s1",89.46655,37.75525,
10646,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:3][C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H7NO.H2/c1-3-4(2)6-5(3)7;/h3H,1-2H3;1H/t3-;/m0./s1",97.49676,33.23681,
10647,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]=[C:4]([O:5][H:12])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1",61.91222,15.694070000000002,ketoenol
10648,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4]([O-:5])=[C+:6][C:7]([H:14])([H:15])[H:16])[H:12])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-5(7)6-4-2/h6H,4H2,1-2H3",75.32951,69.19515,
10649,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C-:2]1[N:3]([H:12])[C+:4]([O:5][H:11])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3,6-7H,1-2H3/t3-/m0/s1",108.79883000000001,76.51855,
10650,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:7]1([H:17])[C:2]([H:11])=[O+:3][C-:4]([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-6-3-2-4-7-5-6/h4-6H,2-3H2,1H3/t6-/m1/s1",90.11175,28.524420000000003,
10651,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:17])[C:4]([H:11])([H:12])[O:3]1)([H:8])([H:9])[H:10].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C4H6O.C2H4/c1-4-2-3-5-4;1-2/h2H,3H2,1H3;1-2H2",126.19998000000001,20.32433,
10652,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:12])=[C:7]([H:17])[C:6]([H:15])([H:16])[C:5]1([H:13])[H:14],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C4H6.C2H4O/c1-2-4-3-1;1-2-3/h1-2H,3-4H2;2H,1H3",61.364819999999995,6.53129,2+2_cycloaddition
10653,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]1([C:5]([C:6]([C:7][H:17])([H:15])[H:16])([H:13])[H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-3-4-6-5(2)7-6/h1,5-6H,3-4H2,2H3/t5-,6+/m1/s1",89.72598,78.50633,
10654,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]([C:5]([H:13])([H:14])[H:15])([H:12])[C@:7]1([C:6][H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-4-5(2)7-6(4)3/h1,4-6H,2-3H3/t4-,5+,6-",81.20473,72.8408,
10655,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:3][C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]1([C:2][H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-5-3-4-6(5)7-2/h1,5-6H,3-4H2,2H3/t5-,6+/m1/s1",127.01856000000001,86.65756,
10656,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C-:2]1[O+:3]=[C:4]2[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H8O.H2/c1-4-5-2-3-6(5)7-4;/h5H,2-3H2,1H3;1H/t5-;/m0./s1",89.64777,78.35361,
10657,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7](/[C@@:4]1([H:12])[O:3][C:6]([H:15])([H:16])[C:5]1([H:13])[H:14])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-2-3-6-4-5-7-6/h2-3,6H,4-5H2,1H3/b3-2+/t6-/m1/s1",106.35242,-3.5713,
10658,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]([C:5]([C:6]([H:15])([H:16])[H:17])([H:13])[H:14])([H:12])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-3-6-4-5(2)7-6/h5-6H,3H2,1-2H3/t5-,6+/m1/s1",76.59107,62.434619999999995,
10659,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4](=[C:5]([H:13])[H:14])[H:12])([C:7](=[C:6]([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-4-6(3)7-5-2/h4-6H,1-2H2,3H3/t6-/m1/s1",91.76805999999999,-3.4802199999999996,
10660,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:17])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h6H,2-3,5H2,1H3/t6-/m1/s1",73.09749000000001,46.26389,
10661,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][H:11])([H:8])([H:9])[H:10].[O:3]1[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C4H6O.C2H4/c1-2-4-3(1)5-4;1-2/h3-4H,1-2H2;1H,2H3/t3-,4+;",120.02485,105.48466,
10662,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])=[C:7]1[H:17])([H:8])([H:9])[H:10].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C4H6O.C2H4/c1-4-2-3-5-4;1-2/h2-4H,1H3;1-2H2/t4-;/m1./s1",109.48908,23.30536,
10663,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[H:11][H:14].[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:12])([H:13])[C:6]1=[O:7])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H5NO2.H2/c6-4-2-1-3(4)5-7;/h7H,1-2H2;1H/b5-3-;",103.1086,17.51517,
10664,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1]=[N:2][C:3]1=[C:6]([H:13])[C:5]([H:11])([H:12])[C:4]1([H:9])[H:10].[O:7]([H:8])[H:14],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H5NO.H2O/c6-5-4-2-1-3-4;/h2H,1,3H2;1H2",51.22456,31.275309999999998,
10665,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1]=[N:2][C@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h3-4,6H,1-2H2/t3-,4-/m1/s1",71.29808,13.1539,ketoenol
10666,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1](/[N:2]=[C:3](/[C:4](/[C:5](=[C:6](/[O:7][H:14])[H:13])[H:11])([H:9])[H:10])[H:12])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-2-1-3-5-7/h2-4,6-7H,1H2/b4-2+,5-3+",100.30255,-3.02204,
10667,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1]([N:2]1/[C:3](=[C:6](\[O:7][H:14])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c6-3-4-1-2-5(4)7/h3,6-7H,1-2H2/b4-3-",71.9515,14.05189,
10668,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[H:12][H:14].[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C@@:5]1([C:6](=[O:7])[H:13])[H:11])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H5NO2.H2/c6-2-3-1-4(3)5-7;/h2-3,7H,1H2;1H/b5-4-;/t3-;/m1./s1",113.16243999999999,34.629709999999996,
10669,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1]([N:2]=[C:3]=[C:4]([C:5]([C:6]([O:7][H:14])([H:9])[H:13])([H:11])[H:12])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-2-1-3-5-7/h1,6-7H,2,4H2",88.265,14.70566,
10670,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1]([N:2]([C:3]1=[C:6]([O:7][H:14])[C:5]([H:11])([H:12])[C:4]1([H:9])[H:10])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h5-7H,1-2H2",76.51648,11.15235,
10671,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1](/[N:2]=[C:3](/[C:4]([C:5]([H:11])([H:12])[H:14])([H:9])[H:10])[C:6](=[O:7])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c1-2-4(3-6)5-7/h3,7H,2H2,1H3/b5-4-",77.78996,-12.02891,
10672,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1]([N:2]([C@:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@@:6]1([H:13])[O:7]2)[H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c6-5-4-2-1-3(4)7-4/h3,5-6H,1-2H2/t3-,4+/m1/s1",78.0846,27.263370000000002,
10673,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1]([N:2]([C:3]1=[C:4]([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h1,4-7H,2H2/t4-/m1/s1",82.61389,16.69461,
10674,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O-:1][N+:2]#[C:3][C:4]([C:5]([C:6]([O:7][H:14])([H:8])[H:13])([H:11])[H:12])([H:9])[H:10],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-2-1-3-5-7/h6H,1-2,4H2",67.59595999999999,6.00403,
10675,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O-:1][N:2]([C+:3]1[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4-6H,1-2H2/t4-/m1/s1",52.717290000000006,14.884770000000001,
10676,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[C:4](=[C:5]([H:11])[H:12])([H:9])[H:10].[O:1]([N:2]=[C:3]=[C:6]([O:7][H:14])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C2H3NO2.C2H4/c4-2-1-3-5;1-2/h2,4-5H;1-2H2",71.778,43.108109999999996,
10677,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[H:8][H:9].[O:1]=[N:2][C:3]1=[C:4]([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H5NO2.H2/c6-4-2-1-3(4)5-7;/h1,4,6H,2H2;1H/t4-;/m1./s1",107.90373000000001,46.22738,
10678,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[N:2]#[C:3][C:4]([C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10].[O:1]([H:8])[H:14],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H5NO.H2O/c5-3-1-2-4-6;/h4H,1-2H2;1H2",39.742,-43.0556,
10679,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1]1([H:8])=[C:2]2[C-:3]=[O+:7][C:6]([H:11])=[C:5]([H:10])[C@:4]12[H:9],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-2-7-4-6-3-5(1)6/h1-3,5H/t5-/m1/s1",94.34329,86.25,
10680,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C-:1]#[C:2][C:3]1=[O+:7][C:6]([H:11])=[C:5]([H:10])[C:4]1([H:8])[H:9],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h3,5H,4H2",98.02575999999999,57.56321,
10681,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1](#[C:2][C:3]1=[C:4]([H:9])[C@:5]1([C:6](=[O:7])[H:11])[H:10])[H:8],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-2-5-3-6(5)4-7/h1,3-4,6H/t6-/m0/s1",81.39613,47.4408,ketoenol
10682,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1](#[C:2][C:3]#[C:4][C:5]([C:6](=[O:7])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-2-3-4-5-6-7/h1,6H,5H2",88.30195,30.02001,
10683,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1](#[C:2][C:3]([C:4](=[C:5]=[C:6]([H:10])[H:11])[H:9])=[O:7])[H:8],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2,5H,1H2",70.60053,29.63447,
10684,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1](=[C:2])([c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H",InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h2-5H,52.121990000000004,49.970909999999996,Singlet_Carbene_Intra_Disproportionation
10685,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1]1([H:8])=[C:2]2[C:3](=[O:7])[C@@:4]12[H:9].[C:5](#[C:6][H:11])[H:10],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H",InChI=1S/C4H2O.C2H2/c5-4-2-1-3(2)4;1-2/h1-2H;1-2H/t2-;/m0./s1,119.77436000000002,101.62661999999999,
10686,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C@:1]12([H:8])[C:3](=[C:2])[C@@:4]1([H:9])[C@:5]2([C:6](=[O:7])[H:11])[H:10],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-3-5-4(2-7)6(3)5/h2,4-6H/t4-,5+,6-",119.99877,99.65252,
10687,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1](#[C:2]/[C:3](=[C:4](/[C:5]#[C:6][H:10])[H:9])[O:7][H:11])[H:8],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-3-5-6(7)4-2/h1-2,5,7H/b6-5-",82.1164,34.06944,
10688,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1](#[C:2][C@:5]([C:4](=[C:3])[H:9])([C:6](=[O:7])[H:11])[H:10])[H:8],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-3-6(4-2)5-7/h1,4-6H/t6-/m1/s1",142.83612,90.96363000000001,
10689,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1](#[C:2][C@:4]1([H:9])[C-:3]=[O+:7][C:6]([H:11])=[C:5]1[H:10])[H:8],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-2-6-3-4-7-5-6/h1,3-4,6H/t6-/m0/s1",80.02842,64.52497,
10690,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C-:1]#[C:2][C:3]1=[O+:7][C:6]([H:8])([H:11])[C:5]([H:10])=[C:4]1[H:9],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h3-4H,5H2",124.15829,53.68815,
10691,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1](#[C:2][C:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])=[O:7])[H:8],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-3-5-6(7)4-2/h1-2H,5H2",87.72102,34.237840000000006,
10692,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[C-:6]=[O+:7]1)[H:8],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,4H,3H2",66.84875,57.76226,Singlet_Carbene_Intra_Disproportionation
10693,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O+:5]=[C:4]([C:3]([H:11])([H:12])[H:13])[H:14])=[C:6]=[N-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-3-7-5(2)4-6/h3H,1-2H3",91.07414,61.65525,
10694,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([H:11])/[C:6]1=[N:7]/[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c6-5-3-4(5)1-2-7/h2,4,6H,1,3H2/b6-5+/t4-/m1/s1",108.26288999999998,36.5081,
10695,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])=[C:6]=[N:7][H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,6H,2H2,1H3",69.33783000000001,24.60848,
10696,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4][H:14])([H:12])[H:13])([C:6]#[N+:7][O-:5])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-3-5(2)4-6-7/h1,5H,3H2,2H3/t5-/m0/s1",158.14792,141.12294,
10697,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[N:7][C:6]1=[O:5])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h3-4H,2H2,1H3/t4-/m0/s1",98.30327,-5.9822,
10698,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2](/[C:3](=[C:4](\[O:5][H:13])[H:14])[H:12])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h2-3,5,7H,1H3/b3-2-/t5-/m0/s1",71.98705,8.01153,ketoenol
10699,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4](=[O:5])[N+:7]([H:14])=[C-:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h4,6H,2H2,1H3/t4-/m0/s1",85.83435,23.49235,
10700,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:6]([O:5][C:4](=[C:3]([H:12])[H:13])[H:14])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-3-7-5-4(2)6-5/h3-4H,1H2,2H3/t4-/m0/s1",92.16088,54.597469999999994,
10701,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4][O:5][H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h5,7H,2H2,1H3/t5-/m0/s1",80.56056,52.34806,
10702,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:6]#[N:7])[H:11])([H:8])[H:9].[C:3](=[C:4]([O:5][H:10])[H:14])([H:12])[H:13],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C3H3N.C2H4O/c1-2-3-4;1-2-3/h2H,1H2;2-3H,1H2",61.58181,31.23955,Retroene
10703,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[C:4](=[O:5])[H:14])[H:13])[H:11])([H:8])([H:9])[H:10].[C:6]=[N:7][H:12],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C4H6O.CHN/c1-2-3-4-5;1-2/h2-4H,1H3;2H/b3-2-;",90.32421,42.73894,
10704,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([O+:5]=[C-:4][H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-5(3-6)4-7-2/h2,5H,4H2,1H3/t5-/m1/s1",116.98195,66.91085,
10705,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4](=[O:5])([C:6]#[N:7])[H:14],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C3H6.C2HNO/c1-3-2;3-1-2-4/h3H,1H2,2H3;2H",80.41294,33.90005,
10706,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([N+:7]#[C-:6])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-5(6-2)3-4-7/h4-5H,3H2,1H3/t5-/m0/s1",58.58051,21.19954,
10707,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([C:4]([O:5][C:6](=[O:7])[H:8])([H:12])[H:13])[H:11])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-6-2-3-7-4-5/h2,4H,1,3H2",70.73145,57.74884,
10708,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:6]([O+:5]=[C-:4][H:13])=[O:7])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-6-3-4(5)7-2/h2H,3H2,1H3",83.68859,60.32881999999999,
10709,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C:3]=[C:6]([O:5][C:4]([H:11])([H:12])[H:13])[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1",InChI=1S/C4H6O3/c1-6-3-4(5)7-2/h1-2H3,66.53108,46.42823,
10710,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[O:2][C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[O:7][H:8],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c5-4-2-6-3(4)1-7-4/h3,5H,1-2H2/t3-,4-/m0/s1",88.46248,25.88045,
10711,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:9])[H:10].[C:3]1([H:11])=[C:6]([O:7][H:8])[O:5][C:4]1([H:12])[H:13],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H4O2.CH2O/c4-3-1-2-5-3;1-2/h1,4H,2H2;1H2",77.92118,37.67451,Retroene
10712,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[C:6]=[O:7])[H:11])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:12])[H:13],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H4O2.CH2O/c1-5-3-2-4;1-2/h3H,1H3;1H2",57.73628000000001,40.445029999999996,2+2_cycloaddition
10713,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][C:4]([O:5][C:6](=[O:7])[H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-6-2-3-7-4-5/h4H,3H2,1H3",72.63325999999999,46.29636,
10714,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](=[O+:2][C:3]1=[C:6]([O-:7])[O:5][C:4]1([H:12])[H:13])([H:9])[H:10].[H:8][H:11],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1",InChI=1S/C4H4O3.H2/c1-6-3-2-7-4(3)5;/h1-2H2;1H,80.80776999999999,76.64662,
10715,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:2][C:6]([O:5][C:4]([C:3][H:11])([H:12])[H:13])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-3-7-4(5)6-2/h1H,3H2,2H3",73.07651,65.10557,
10716,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:6]([O:7][H:11])[O:5][C:4]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h5H,2H2,1H3",94.3837,33.93693,ketoenol
10717,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[C:4]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[O:5]=[C:6]=[O:7],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O.CO2/c1-3-4-2;2-1-3/h3H,1H2,2H3;",43.62327,-19.67282,2+2_cycloaddition
10718,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O+:7]=[C:6]1[C@:3]([O-:2])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-6-4-3(5)2-7-4/h3H,2H2,1H3/t3-/m0/s1",85.41408,52.50926,
10719,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O2.CO/c1-4-3-2-5-3;1-2/h3H,2H2,1H3;/t3-;/m1./s1",68.5369,19.36001,
10720,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([O:2][C:3]([C:4](=[O:5])[H:12])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O2.CO/c1-5-3-2-4;1-2/h2H,3H2,1H3;",65.80585,4.10366,
10721,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C@@:6]2([C:4]([H:12])([H:13])[O:5]2)[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-5-3-4(7-3)2-6-4/h3H,2H2,1H3/t3-,4-/m1/s1",80.28598000000001,43.8176,
10722,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]([O:3][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])=[C:4]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H9NO2/c1-4(5)7-3-2-6/h6H,1-3,5H2",104.33884,34.05153,ketoenol
10723,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]1([H:11])[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:8])[H:9].[O:7]([H:10])[H:16],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H7NO.H2O/c5-4(6)3-1-2-3;/h3H,1-2H2,(H2,5,6);1H2",93.14806,13.411370000000002,
10724,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:10])([H:12])[H:13].[N:1]([C:2]([O-:3])=[C+:4][H:11])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C2H3NO.C2H6O/c1-2(3)4;1-2-3/h1H,3H2;3H,2H2,1H3",92.90101999999999,96.16856999999999,
10725,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1]([C-:2]=[O+:3][C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H9NO2/c5-4-7-3-1-2-6/h6H,1-3,5H2",105.31294,51.91124,
10726,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1](=[C:2](/[O:3][H:9])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])\[H:8],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)",44.60713,11.34723,ketoenol
10727,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[C:2](=[O:3])=[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11].[N:1]([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H6O2.H3N/c5-3-1-2-4-6;/h1,6H,2,4H2;1H3",77.71659,35.62594,"1,3_NH3_elimination"
10728,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[H:12][H:13].[N:1]([C:2](=[O:3])[C:4]([C:5][C:6]([O:7][H:16])([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H7NO2.H2/c5-4(7)2-1-3-6;/h6H,2-3H2,(H2,5,7);1H",101.63528000000001,97.97765,
10729,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[C:5]([C:6](=[O:7])[H:14])([H:12])([H:13])[H:15].[N:1]([C:2](=[O:3])[C:4]([H:10])([H:11])[H:16])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C2H5NO.C2H4O/c1-2(3)4;1-2-3/h1H3,(H2,3,4);2H,1H3",95.9332,6.583289999999999,
10730,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[H:15][H:16].[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H7NO2.H2/c5-4(7)2-1-3-6;/h3H,1-2H2,(H2,5,7);1H",83.07772,18.11898,
10731,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[C:6](=[O:7])([H:14])[H:15].[H:10][H:16].[N:1]([C:2](=[O:3])[C:4](=[C:5]([H:12])[H:13])[H:11])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C3H5NO.CH2O.H2/c1-2-3(4)5;1-2;/h2H,1H2,(H2,4,5);1H2;1H",86.25025,48.3462,
10732,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1](/[C:2]([O:3][H:10])=[C:4](\[C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h2,6-7H,1,3,5H2/b4-2+",62.890280000000004,21.57335,ketoenol
10733,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1]([C@:2]1([O:3][H:12])[C:4]([H:10])([H:11])[C@:5]1([C:6]([O:7][H:16])([H:14])[H:15])[H:13])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H9NO2/c5-4(7)1-3(4)2-6/h3,6-7H,1-2,5H2/t3-,4-/m0/s1",79.4783,37.60888,
10734,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1]1([H:8])[C:2](=[O:3])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15].[O:7]([H:9])[H:16],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H7NO.H2O/c6-4-2-1-3-5-4;/h1-3H2,(H,5,6);1H2",80.55551,-0.6925899999999999,
10735,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N+:1]([C:2]([O-:3])=[C:4]([H:10])[H:11])([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H9NO2/c1-4(7)5-2-3-6/h5-7H,1-3H2",111.71095,44.93795,
10736,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[H:12][H:15].[N:1]([C:2](=[O:3])[C:4](/[C:5](=[C:6](\[O:7][H:16])[H:14])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H7NO2.H2/c5-4(7)2-1-3-6;/h1,3,6H,2H2,(H2,5,7);1H/b3-1-;",105.05391999999999,25.08407,
10737,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[O:3][C@@:4]1([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H9NO2/c5-4-3(7-4)1-2-6/h3-4,6H,1-2,5H2/t3-,4+/m1/s1",101.89927,39.576409999999996,
10738,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[C:4](=[C:5]([C:6]([O:7][H:16])([H:14])[H:15])[H:13])([H:10])[H:11].[N:1]([C:2][O:3][H:12])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C3H6O.CH3NO/c1-2-3-4;2-1-3/h2,4H,1,3H2;3H,2H2",79.02096999999999,67.3988,
10739,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]1([O:3][H:16])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H9NO2/c5-4(6)2-1-3-7-4/h6H,1-3,5H2/t4-/m1/s1",39.977579999999996,12.1036,
10740,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[C:2](=[O:3])=[C:4]([H:10])[H:11].[N:1]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C2H7NO.C2H2O/c3-1-2-4;1-2-3/h4H,1-3H2;1H2",111.70100000000001,42.40573,
10741,[O:1]1[C@@:2]2([H:8])[C@:3]3([H:9])[C:4]([H:10])=[C:5]([H:11])[C@@:6]2([H:12])[C@:7]13[H:13],[O:1]1[C:2]([H:8])([H:9])[C@@:6]2([H:12])[C+:5]([H:11])[C:4]([H:10])=[C-:3][C@@:7]12[H:13],"InChI=1S/C6H6O/c1-2-4-5-3(1)6(4)7-5/h1-6H/t3-,4+,5-,6+","InChI=1S/C6H6O/c1-2-5-4-7-6(5)3-1/h1-2,5-6H,4H2/t5-,6-/m1/s1",63.75999,27.37665,
10742,[O:1]1[C@@:2]2([H:8])[C@:3]3([H:9])[C:4]([H:10])=[C:5]([H:11])[C@@:6]2([H:12])[C@:7]13[H:13],[O+:1]([C:2]1([H:8])[C:3]([H:9])=[C:4]([H:10])[C:5]([H:11])=[C:6]1[H:12])=[C-:7][H:13],"InChI=1S/C6H6O/c1-2-4-5-3(1)6(4)7-5/h1-6H/t3-,4+,5-,6+",InChI=1S/C6H6O/c1-7-6-4-2-3-5-6/h1-6H,39.97947,8.583969999999999,
10743,[O:1]1[C@@:2]2([H:8])[C@:3]3([H:9])[C:4]([H:10])=[C:5]([H:11])[C@@:6]2([H:12])[C@:7]13[H:13],[O+:1]1=[C-:2][C@:3]2([H:9])[C:4]([H:8])([H:10])[C:5]([H:11])=[C:6]([H:12])[C@:7]12[H:13],"InChI=1S/C6H6O/c1-2-4-5-3(1)6(4)7-5/h1-6H/t3-,4+,5-,6+","InChI=1S/C6H6O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2H2/t5-,6-/m0/s1",84.11881,0.33837,
10744,[O:1]1[C@@:2]2([H:8])[C@:3]3([H:9])[C:4]([H:10])=[C:5]([H:11])[C@@:6]2([H:12])[C@:7]13[H:13],[O:1]1[C@:2]2([H:8])[C@@:3]3([H:9])[C:4][C:5]([H:10])([H:11])[C@:6]2([H:12])[C@@:7]13[H:13],"InChI=1S/C6H6O/c1-2-4-5-3(1)6(4)7-5/h1-6H/t3-,4+,5-,6+","InChI=1S/C6H6O/c1-2-4-5-3(1)6(4)7-5/h3-6H,1H2/t3-,4+,5-,6+",65.71687,58.493190000000006,Singlet_Carbene_Intra_Disproportionation
10745,[O:1]1[C@@:2]2([H:8])[C@:3]3([H:9])[C:4]([H:10])=[C:5]([H:11])[C@@:6]2([H:12])[C@:7]13[H:13],[O:1]([C@:7]1([H:13])[C:3]2=[C:2]([H:8])[C@@:6]1([H:12])[C:5]([H:11])=[C:4]2[H:10])[H:9],"InChI=1S/C6H6O/c1-2-4-5-3(1)6(4)7-5/h1-6H/t3-,4+,5-,6+","InChI=1S/C6H6O/c7-6-4-1-2-5(6)3-4/h1-4,6-7H/t4-,6+/m1/s1",78.34795,73.78318,
10746,[O:1]1[C@@:2]2([H:8])[C@:3]3([H:9])[C:4]([H:10])=[C:5]([H:11])[C@@:6]2([H:12])[C@:7]13[H:13],[O:1]1[C@@:2]2([H:8])[C@@:3]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:9])[C@:7]1([H:13])[C:6]2,"InChI=1S/C6H6O/c1-2-4-5-3(1)6(4)7-5/h1-6H/t3-,4+,5-,6+","InChI=1S/C6H6O/c1-2-4-5-3-6(4)7-5/h2,4-6H,1H2/t4-,5+,6-",86.66835999999999,61.26559,
10747,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[N+:1]1([H:8])([H:9])[C:2]([C:6](=[N:5][O-:4])[N:7]([H:11])[H:12])=[C:3]1[H:10],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C3H5N3O/c4-3(6-7)2-1-5-2/h1,5,7H,(H2,4,6)",105.91588999999999,103.1259,
10748,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[N:1]([C:2]/[C:3](=[C:6](/[N:5]=[O:4])[N:7]([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C3H5N3O/c4-2-1-3(5)6-7/h1H,4-5H2/b3-1+",114.65318,66.59536,
10749,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[N:1]([C:2]([C:3](=[O:4])[H:10])=[C:6]1[N-:5][N+:7]1([H:11])[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C3H5N3O/c4-2(1-7)3-5-6-3/h1H,4-5H2",58.733830000000005,52.39017,
10750,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[N:1](=[C:2]1\[C:3]([H:8])([H:10])[O:4][N:5]=[C:6]1[N:7]([H:11])[H:12])\[H:9],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h4H,1H2,(H2,5,6)/b4-2+",82.75093000000001,11.319180000000001,
10751,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[N:1]([c:2]1[c:3]([H:10])[o:4][n:5]([H:12])/[c:6]1=[N:7]/[H:11])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)",63.2237,19.19557,
10752,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[N-:1]([C:2]1=[C:3]([H:10])[O+:4]=[N:5][C@@:6]1([N:7]([H:11])[H:12])[H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1,3-4H,5H2/t3-/m0/s1",77.5666,64.34082,
10753,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[N:1]([C@@:2]1([H:11])[C:3]([H:10])=[O+:4][N-:5][C:6]1=[N:7][H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1-2,5H,4H2/t2-/m0/s1",82.47785999999999,59.325219999999995,
10754,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[H:8][H:11].[N-:1]([C:2]1=[C:3]([H:10])[O+:4]=[N:5][C:6]1=[N:7][H:12])[H:9],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C3H3N3O.H2/c4-2-1-7-6-3(2)5;/h1,4-5H;1H",99.02711,73.93666999999999,
10755,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[N+:1]([c:2]1[c-:3][o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C3H4N3O/c4-2-1-7-6-3(2)5/h4H2,(H2,5,6)/q-1/p+1",77.76375999999999,68.0772,
10756,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1](/[C:2](=[C:3](\[C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])[H:9])[H:8])[H:10],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h1,5-7H,2-4H2/b5-1-",71.6784,9.04159,ketoenol
10757,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O+:1](=[C:2]([C:3]([C:4]([C:5](=[C:6]([H:14])[H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8])[C-:7]([H:16])[H:17],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c1-3-4-5-6-7-2/h3,6H,1-2,4-5H2",103.509,68.43637,
10758,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:5]([C:6]([H:10])([H:14])[H:15])(=[C:7]([H:16])[H:17])[H:13].[O:1]=[C:2]([C:3](=[C:4]([H:11])[H:12])[H:9])[H:8],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C3H4O.C3H6/c1-2-3-4;1-3-2/h2-3H,1H2;3H,1H2,2H3",80.10033,16.635270000000002,
10759,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]=[C:2]([C:3]([C:4]([C:5][C:7]([C:6]([H:13])([H:14])[H:15])([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h6H,2,4-5H2,1H3",67.53721,63.74051,
10760,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:5]1([H:10])([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17].[O:1]=[C:2]([C:3](=[C:4]([H:11])[H:12])[H:9])[H:8],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C3H4O.C3H6/c1-2-3-4;1-2-3-1/h2-3H,1H2;1-3H2",89.09334,23.50777,
10761,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O+:1](=[C-:2][H:8])[C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c1-7-5-4-6-2-3-6/h1,6H,2-5H2",115.22433000000001,65.35585999999999,
10762,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:3](=[C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])[H:12])([H:9])[H:10].[O:1]=[C:2]([H:8])[H:11],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C5H8.CH2O/c1-2-5-3-4-5;1-2/h2,5H,1,3-4H2;1H2",74.38909,28.8284,
10763,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@@:5]2([H:13])[C@:6]1([H:14])[C:7]2([H:16])[H:17])[H:15],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c7-6-2-1-4-3-5(4)6/h4-7H,1-3H2/t4-,5+,6-/m1/s1",73.03826,-2.47918,
10764,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:5]1[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17].[O:1]=[C:2]([C:3]([C:4]([H:11])([H:12])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C3H6O.C3H4/c1-2-3-4;1-2-3-1/h3H,2H2,1H3;1-2H2",97.82588,92.03511,
10765,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[H:13][H:16].[O:1]=[C:2]([C:3]([C:4]([C:5]1=[C:7]([H:17])[C:6]1([H:14])[H:15])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H8O.H2/c7-5-1-2-6-3-4-6;/h3,5H,1-2,4H2;1H",122.6123,52.09093,
10766,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2](=[C:3]([H:9])[H:10])[H:8])[C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c1-2-7-5-6-3-4-6/h2,6H,1,3-5H2",89.41084000000001,18.90345,ketoenol
10767,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[O+:1]#[C-:2],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C5H10.CO/c1-2-5-3-4-5;1-2/h5H,2-4H2,1H3;",86.51915,-1.98448,"1,2_Insertion_CO"
10768,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C@@:2]([C:3]([C:4]([C:5](=[C:7]([H:16])[H:17])[H:13])([H:11])[H:12])([H:9])[H:10])([H:8])[C:6]1([H:14])[H:15],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h2,6H,1,3-5H2/t6-/m1/s1",77.32121,19.34785,
10769,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]=[C:2]([C:3]([C:4]([C:5](=[C:7]([H:16])[H:17])[H:13])([H:11])[H:12])([H:9])[H:10])[C:6]([H:8])([H:14])[H:15],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3",74.94785,-11.49038,
10770,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:4]1([H:11])([H:12])[C@:5]2([H:13])[C@@:6]1([H:14])[C:7]2([H:16])[H:17].[O:1]([C:2](=[C:3]([H:9])[H:10])[H:8])[H:15],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C4H6.C2H4O/c1-3-2-4(1)3;1-2-3/h3-4H,1-2H2;2-3H,1H2/t3-,4+;",90.5541,47.10609,
10771,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([C:5]1=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])([H:8])[H:13])[H:14],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h3,7H,1-2,4-5H2",84.07332,35.350390000000004,
10772,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])=[C:7]1[H:16])([H:11])[H:12])([H:9])[H:10])([H:8])[H:15])[H:17],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h3-4,6-7H,1-2,5H2",71.62951,39.1259,
10773,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:4](=[C:5]1[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12].[O:1]([C:2](=[C:3]([H:9])[H:10])[H:8])[H:13],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C4H6.C2H4O/c1-4-2-3-4;1-2-3/h1-3H2;2-3H,1H2",69.16634,38.88915,Retroene
10774,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1]1[C@:2]2([H:8])[C@@:3]3([C:4]([H:9])([H:10])[O:5]2)[C@:6]1([H:11])[O:7]3,"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c1-4-2(5-1)6-3(4)7-4/h2-3H,1H2/t2-,3+,4+/m1/s1",85.11663,55.530190000000005,
10775,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O+:1](=[C:2]([C:3](=[C:4]([H:9])[H:10])[C:6](=[O:7])[H:11])[H:8])[O-:5],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c1-4(2-5)3-7-6/h2-3H,1H2",126.8998,76.15545,
10776,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1](/[C:2](=[C:3]1\[C:4]([H:9])([H:10])[O:5]1)[H:8])[C:6](=[O:7])[H:11],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c5-3-6-1-4-2-7-4/h1,3H,2H2/b4-1+",54.6025,11.09522,ketoenol
10777,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1]1[C@:2]([O+:7]=[C-:6][H:11])([H:8])[C@@:3]12[C:4]([H:9])([H:10])[O:5]2,"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c1-5-3-4(7-3)2-6-4/h1,3H,2H2/t3-,4-/m1/s1",107.8667,86.84851,
10778,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[C:3]1(=[C:6](\[O:7][H:8])[H:11])\[C:4]([H:9])([H:10])[O:5]1.[O+:1]#[C-:2],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C3H4O2.CO/c4-1-3-2-5-3;1-2/h1,4H,2H2;/b3-1+;",48.7648,15.69749,
10779,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1]([C@:2]1([H:8])[C@@:3]2([C:6](=[O:7])[H:11])[C@:4]1([H:9])[O:5]2)[H:10],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c5-1-4-2(6)3(4)7-4/h1-3,6H/t2-,3+,4-/m0/s1",68.14801,34.334309999999995,
10780,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1]=[C:2]([C@:3]12[C:4]([H:9])([H:10])[O:5][C@@:6]1([H:11])[O:7]2)[H:8],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c5-1-4-2-6-3(4)7-4/h1,3H,2H2/t3-,4-/m0/s1",68.72962,18.588929999999998,
10781,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1]([C:2](=[C:3]([C:4](=[O:5])[H:9])[C:6](=[O:7])[H:11])[H:8])[H:10],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c5-1-4(2-6)3-7/h1-3,5H",61.281040000000004,-34.09317,
10782,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1]=[C:2]([C:3]([C:4][H:9])([O:5][H:10])[C:6](=[O:7])[H:11])[H:8],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c1-4(7,2-5)3-6/h1-3,7H",73.40382,63.99338,
10783,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1]([C:2][C@@:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1,6H,3H2/t4-/m0/s1",81.22856999999999,51.62294,
10784,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1]1[C@:2]2([H:8])[C@:3]3([C:4]([H:9])([H:10])[O:5]3)[C@:6]2([H:11])[O:7]1,"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c1-4(5-1)2-3(4)7-6-2/h2-3H,1H2/t2-,3+,4+",127.6674,109.93525,
10785,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[C:3]([C:4]([H:8])([H:9])[H:10])(=[O:5])[C:6](=[O:7])[H:11].[O+:1]#[C-:2],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C3H4O2.CO/c1-3(5)2-4;1-2/h2H,1H3;",77.5789,-28.63927,
10786,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[C+:3](=[C:4]([O-:5])[H:9])[C:6](=[O:7])[H:11].[O:1]=[C:2]([H:8])[H:10],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2",InChI=1S/C3H2O2.CH2O/c4-2-1-3-5;1-2/h2-3H;1H2,94.02877,73.33405,
10787,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[C+:3]([C:4]([O:5][H:8])([H:9])[H:10])=[C:6]([O-:7])[H:11].[O+:1]#[C-:2],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C3H4O2.CO/c4-2-1-3-5;1-2/h2,5H,3H2;",63.05497,57.559830000000005,
10788,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O+:1](=[C-:2][H:8])[C@@:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1,"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c1-6-4(2-5)3-7-4/h1-2H,3H2/t4-/m1/s1",104.17371,64.26229000000001,
10789,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[C:5](\[C:6]([O:7][H:17])([H:15])[H:16])[H:14])[H:11])([H:8])([H:9])[H:10].[C:4]([H:12])[H:13],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H8O2.CH2/c1-6-4-2-3-5;/h2,4-5H,3H2,1H3;1H2/b4-2-;",99.96736,105.39056000000001,1+2_Cycloaddition
10790,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[C:4]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:17])[H:16])([H:14])[H:15],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C3H6O.C2H4O/c1-3-4-2;1-2-3/h3H,1H2,2H3;2-3H,1H2",93.92635,8.41356,
10791,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][H:17])([H:8])([H:9])[H:10].[C@:3]12([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]2,"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH4O/c1-3-2-5-4(1)3;1-2/h3-4H,1-2H2;2H,1H3/t3-,4-;/m0./s1",91.46171,31.382140000000003,
10792,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:7][C:6]([C@@:5]1([H:14])[C@:3]([O:2][H:17])([H:11])[C:4]1([H:12])[H:13])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1",86.08223000000001,2.90758,
10793,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]1=[C:6]([H:15])[H:16])([H:8])([H:9])[H:10].[O:7]([H:14])[H:17],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O.H2O/c1-4-3-5(4)6-2;/h5H,1,3H2,2H3;1H2/t5-;/m0./s1",75.37818,22.07784,"1,3_Insertion_ROR"
10794,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][H:17])([H:8])([H:9])[H:10].[C:3](=[C:4]([H:12])[H:13])([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:11],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH4O/c1-2-4-3-5-4;1-2/h2,4H,1,3H2;2H,1H3/t4-;/m0./s1",77.31113,22.21725,
10795,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:3](=[O:2])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:12])[H:13],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h2,4H,1,3H2;2H,1H3",96.12965,-4.72382,
10796,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5][C:6]([O:7][H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-5(7-2)3-4-6/h5-6H,4H2,1-2H3/t5-/m0/s1",71.41119,68.7862,
10797,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][H:13])([H:8])([H:9])[H:10].[C:3]1([H:11])=[C:4]([H:12])[C:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH4O/c5-3-4-1-2-4;1-2/h1-2,4-5H,3H2;2H,1H3",80.85462,41.1836,
10798,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([O:7][H:17])([H:12])[H:13])([C:5](=[C:6]([H:15])[H:16])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-3-5(4-6)7-2/h3,5-6H,1,4H2,2H3/t5-/m1/s1",82.45421,-3.9197900000000003,
10799,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:8])([H:9])[H:10].[C:6]([O:7][H:17])[H:16],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H8O.CH2O/c1-5-4-2-3-4;1-2/h4H,2-3H2,1H3;1-2H",88.74424,76.12153,
10800,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])=[C:5]1[H:14])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:15])[H:16].[H:13][H:17],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH2O.H2/c1-5-4-2-3-4;1-2;/h2-4H,1H3;1H2;1H",100.70958,68.8358,
10801,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][H:17])([H:8])([H:9])[H:10].[C:3]1([H:11])=[C:5]([H:14])[C:4]1([H:12])[H:13].[C:6](=[O:7])([H:15])[H:16],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C3H4.CH4O.CH2O/c1-2-3-1;2*1-2/h1-2H,3H2;2H,1H3;1H2",79.03827,58.72971999999999,
10802,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C:4]([C@:5]([C:3][H:11])([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h1,5-6H,3-4H2,2H3/t5-/m1/s1",104.67249,79.44193,
10803,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])/[C:5]1=[C:6](/[O:7][H:17])[H:16])([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O2.H2/c1-7-5-2-4(5)3-6;/h3,5-6H,2H2,1H3;1H/b4-3-;/t5-;/m0./s1",106.15012,35.49729,
10804,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][C:4]([C:5]([C:6]([O:7][H:17])([H:15])[H:16])([H:11])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h6H,2-4H2,1H3",56.89317,33.410340000000005,
10805,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[C:5]=[C:6]([C:7]([H:17])([H:18])[H:19])[H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3","InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,7H,4,6H2,1-2H3",83.91118,1.8279400000000001,
10806,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:1]([C:2]([C:3]([C:4]([C:5]#[C:6][C+:7]([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])[H:10].[H:9][H:17],"InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3","InChI=1S/C7H10.H2/c1-3-5-7-6-4-2;/h1-3,5,7H2;1H",141.93023,133.0022,
10807,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5](=[C:6]=[C:7]([H:18])[H:19])[H:17])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3","InChI=1S/C7H12/c1-3-5-7-6-4-2/h5H,1,4,6-7H2,2H3",89.13450999999999,3.5035199999999995,
10808,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](/[C:4](=[C:5](\[C:6][C:7]([H:17])([H:18])[H:19])[H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3","InChI=1S/C7H12/c1-3-5-7-6-4-2/h6-7H,3,5H2,1-2H3/b7-6-",79.53829,55.956030000000005,
10809,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C-:5]=[C:6]([C+:7]([H:18])[H:19])[H:17])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3","InChI=1S/C7H12/c1-3-5-7-6-4-2/h3H,1,4,6-7H2,2H3",83.28034,61.80124,
10810,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]=[C:6]([C:7]([H:17])([H:18])[H:19])[H:11])([H:15])[H:16],"InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3","InChI=1S/C4H6.C3H6/c1-3-4-2;1-3-2/h4H,1H2,2H3;3H,1H2,2H3",59.94699,23.17886,Retroene
10811,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:6](=[C:5])[C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3","InChI=1S/C7H12/c1-4-5-6-7(2)3/h4-6H2,1-2H3",57.77156,52.893,
10812,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:5]([C@:6]([C:3][C:4]([H:13])([H:14])[H:15])([C:7]([H:19])([H:20])[H:21])[H:18])([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C7H14/c1-4-6-7(3)5-2/h7H,4,6H2,1-3H3/t7-/m0/s1",104.56219,67.73244,
10813,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3]([C:4]([H:13])([H:14])[H:15])(=[C:5]([H:16])[H:17])[C:6]([C:7]([H:19])([H:20])[H:21])([H:9])[H:18],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C5H10.C2H4/c1-4-5(2)3;1-2/h2,4H2,1,3H3;1-2H2",93.28725,17.67078,
10814,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])=[C:6]1[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[C:7]([H:17])([H:19])([H:20])[H:21],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C6H10.CH4/c1-3-6(2)4-5-6;/h4-5H,3H2,1-2H3;1H4",121.98263,43.31877,
10815,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([C:6][C:7]([H:19])([H:20])[H:21])([H:16])[H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C7H14/c1-4-6-7(3)5-2/h7H,5-6H2,1-3H3/t7-/m1/s1",68.68042,67.66108,
10816,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][C@@:6]([C:5]([C:4]([H:13])([H:14])[H:15])([H:16])[H:17])([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C7H14/c1-4-6-7(3)5-2/h7H,4-5H2,1-3H3/t7-/m1/s1",105.51343999999999,66.1932,
10817,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:6]([C:3]1([C:4]([H:13])([H:14])[H:15])[C:2]([H:11])([H:12])[C:5]1([H:16])[H:17])([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C7H14/c1-6(2)7(3)4-5-7/h6H,4-5H2,1-3H3",132.52882,1.43858,
10818,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:20].[C:2](=[C:3]([C:4]([H:13])([H:14])[H:15])[C:5]([C:6](=[C:7]([H:19])[H:21])[H:18])([H:16])[H:17])([H:11])[H:12],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C6H10.CH4/c1-4-5-6(2)3;/h4H,1-2,5H2,3H3;1H4",92.80268000000001,13.54999,
10819,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C+:2]([C@@:3]1([C-:4]([H:13])[H:14])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])[H:12])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C7H12.H2/c1-4-7(3)5-6(7)2;/h4,6H,3,5H2,1-2H3;1H/t6-,7+;/m1./s1",109.86925,107.00808,
10820,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])[H:12],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C6H10.CH4/c1-5-4-6(5,2)3;/h2,5H,4H2,1,3H3;1H4/t5-,6-;/m1./s1",91.66085,87.13563,
10821,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6][C:7]([H:19])([H:20])[H:21])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C7H14/c1-5-7(3,4)6-2/h5H2,1-4H3",69.46565,67.14367,
10822,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3]1([C:4]([H:13])([H:14])[H:15])=[C:5]([H:16])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18].[H:9][H:17],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C5H8.C2H4.H2/c1-4-3-5(4)2;1-2;/h3-4H,1-2H3;1-2H2;1H/t4-;;/m1../s1",111.84552,74.89156,
10823,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3]1/[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])[H:12])([H:8])([H:9])[H:10].[C:4]([H:11])([H:13])([H:14])[H:15],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C6H10.CH4/c1-3-6-4-5(6)2;/h3,5H,4H2,1-2H3;1H4/b6-3-;/t5-;/m1./s1",119.6595,25.130129999999998,
10824,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:6]#[N:7])[H:11])([H:8])[H:10].[C:3](=[C:4]([O:5][H:16])[H:15])([H:12])[H:13].[H:9][H:14],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C3H3N.C2H4O.H2/c1-2-3-4;1-2-3;/h2H,1H2;2-3H,1H2;1H",94.15689,51.01444,
10825,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[C:4]([H:14])[H:15])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10].[O:5]([H:12])[H:16],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H7N.H2O/c1-3-5(2)4-6;/h3,5H,1H2,2H3;1H2/t5-;/m0./s1",68.17872,13.20785,"1,3_Insertion_ROR"
10826,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]=[N:7][C@:4]([C:3]([H:12])([H:13])[H:15])([O:5][H:16])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H9NO/c1-3-4-6-5(2)7/h3,5,7H,1-2H3/t5-/m0/s1",96.93160999999999,23.545479999999998,
10827,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([N+:7]#[C-:6])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H9NO/c1-5(6-2)3-4-7/h5,7H,3-4H2,1H3/t5-/m0/s1",60.41556,21.1387,
10828,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]=[N:7][H:14])[H:11])([H:8])([H:9])[H:10].[C:3](=[C:4]([O:5][H:16])[H:15])([H:12])[H:13],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C3H5N.C2H4O/c1-2-3-4;1-2-3/h2,4H,1H3;2-3H,1H2",70.27654,43.04217,Retroene
10829,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:12])([H:13])[C:4]1([H:14])[H:15])([H:8])([H:9])[H:10].[O:5]([H:11])[H:16],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H7N.H2O/c1-5(4-6)2-3-5;/h2-3H2,1H3;1H2",90.89925,14.924389999999999,
10830,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([H:11])/[C:6]1=[N:7]/[H:9],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H9NO/c6-5-3-4(5)1-2-7/h4,6-7H,1-3H2/b6-5+/t4-/m1/s1",108.12973000000001,37.61439,
10831,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10].[H:14][H:16],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO.H2/c1-5(4-6)2-3-7;/h3,5H,2H2,1H3;1H/t5-;/m0./s1",85.39248,19.43372,
10832,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:6]1=[N:7]\[O:5][H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1",130.04809,44.93325,
10833,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:6]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h4,7H,2-3H2,1H3/t4-/m0/s1",104.62343,39.00421,
10834,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([C:6]#[N:7])([H:11])[C:3]([H:12])([H:13])[C:4]1([H:14])[H:15].[O:5]([H:8])[H:16],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H7N.H2O/c6-4-5-2-1-3-5;/h5H,1-3H2;1H2",103.52360999999999,15.337879999999998,
10835,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H9NO/c1-4-2-3-7-5(4)6/h4,6H,2-3H2,1H3/b6-5-/t4-/m0/s1",59.79345,-5.159269999999999,
10836,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([O:5][H:16])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10].[C:4]([H:14])[H:15],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C4H7NO.CH2/c1-4(2-5)3-6;/h4,6H,3H2,1H3;1H2/t4-;/m1./s1",128.467,112.06362,
10837,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([O:5][H:16])([H:15])[N:7]([H:14])[C:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H9NO/c1-4-2-5(7)6-3-4/h4-7H,2H2,1H3/t4-,5-/m0/s1",93.2303,38.80223,
10838,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10].[C:4]([O:5][H:16])[H:15],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C4H7N.CH2O/c1-4(2)3-5;1-2/h4H,1-2H3;1-2H",84.58013000000001,69.11712,
10839,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](=[C:2]=[C:3]1[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])([H:8])[H:9],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h5,7H,1H2/t5-/m0/s1",87.41826999999999,7.0614,
10840,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C:5]1=[C:6]=[N:7][H:11])[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4,6-7H/t4-/m1/s1",104.93065,35.07772,
10841,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1]1([H:8])=[C:2]=[C:3]([H:9])[N:4]([H:10])[C:5]([H:11])=[C:6]=[N:7]1,"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-6-4-5-7-3-1/h2-4,6H",49.5299,47.25983,
10842,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](=[C:2]=[C:3](/[C:5](=[N:4]\[H:10])[H:11])[H:9])([N+:7]#[C-:6])[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-7-5-3-2-4-6/h2,4-6H/b6-4-",96.80189,4.72565,
10843,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](#[C:2]/[C:3](=[N:4]/[C:5]([C:6]#[N:7])([H:10])[H:11])[H:9])[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-4-7-5-3-6/h1,4H,5H2/b7-4+",72.99673,-9.00102,
10844,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](#[C:2][C@@:3]([N:4]([C:5][H:11])[H:10])([C:6]#[N:7])[H:9])[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-3-5(4-6)7-2/h1-2,5,7H/t5-/m1/s1",89.64291,38.70335,
10845,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([N+:7]#[C-:6])[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-3-4-5(6-2)7-4/h1,4-5,7H/t4-,5-/m1/s1",59.50498,21.20787,
10846,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](/[C:2](=[C:3]1\[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:9])[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1-2,5,7H/b4-2-/t5-/m0/s1",85.16396,60.7295,
10847,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](=[C+:2][C@@:3]1([H:9])[N:4]([H:10])[C:5]1=[C:6]=[N-:7])([H:8])[H:11],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h4,7H,1H2/t4-/m1/s1",124.28536000000001,55.81731,
10848,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](#[C:2][C+:3]([N:4]([C:5](=[C:6]=[N-:7])[H:11])[H:10])[H:9])[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-4-7-5-3-6/h1,4-5,7H",38.765879999999996,9.43463,
10849,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]([C:4]1([O:5][H:13])[C:3]([H:11])([H:12])[C:6]1([H:14])[H:15])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3",57.511,-31.61575,
10850,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])=[C:4]1[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10].[O:5]([H:12])[H:13],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H6O.H2O/c1-5-2-4(5)3-6-5;/h2H,3H2,1H3;1H2/t5-;/m1./s1",90.14548,71.18458000000001,
10851,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O+:7]=[C-:6][H:15])[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-5(7-2)3-4(5)6/h2,4,6H,3H2,1H3/t4-,5-/m1/s1",82.73836,46.569179999999996,
10852,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([O:5][H:13])=[C:6]([H:14])[H:15])([H:11])[H:12])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h6H,1,3H2,2H3",41.36201,-37.43002,
10853,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:4]1([O:5][H:13])[C:3]([H:11])([H:12])[C-:2]=[O+:7][C:6]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-5(6)2-3-7-4-5/h6H,2,4H2,1H3/t5-/m0/s1",79.78206999999999,10.947230000000001,
10854,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C-:6]=[O+:7]2)([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H6O2.H2/c1-4-2-5(4,6)3-7-4;/h6H,2H2,1H3;1H/t4-,5+;/m1./s1",87.90261,71.15041,
10855,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[O:7][C:6]([C:4][O:5][H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-5(2)7-4-3-6/h6H,1,4H2,2H3",49.04659,27.686890000000002,
10856,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:4]([O:5][H:13])[C:6]([H:14])([H:15])[O:7][C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4-2-7-3-5(4)6/h6H,2-3H2,1H3",64.64293,-29.889290000000003,
10857,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([C:4][O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-5(2-3-6)4-7-5/h6H,2,4H2,1H3/t5-/m1/s1",60.19055,31.39613,
10858,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:7][C:6]([H:13])([H:14])[H:15])[C:3]([H:11])([H:12])[C:4]1=[O:5])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-5(7-2)3-4(5)6/h3H2,1-2H3/t5-/m1/s1",81.44493,1.50755,
10859,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]([H:14])([H:15])[O:7]1)([H:8])[H:9].[H:10][H:13],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1",InChI=1S/C5H6O2.H2/c1-4-2-5(6)3-7-4;/h1-3H2;1H,48.93077,-15.90381,
10860,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C-:2]=[O+:7][C:6]([C:4](=[C:3]([H:11])[H:12])[O:5][H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-3-7-4-5(2)6/h6H,2,4H2,1H3",53.27745,24.90524,
10861,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4(2)5(6)3-7-5/h6H,1,3H2,2H3/t5-/m0/s1",61.83008,-13.79385,
10862,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:12])[C@:4]([O:5][H:13])([H:11])[C:6]([H:14])([H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(6)3-7-4/h2,5-6H,3H2,1H3/t5-/m1/s1",65.70153,-34.9657,
10863,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([O:7][H:10])([H:14])[H:15])([H:8])[H:9],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(4,7)3-6/h6-7H,1-3H2/t5-/m0/s1",68.51263,-0.20498000000000002,
10864,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([O:5][H:13])([H:11])[H:12])[C:4][C:6]([H:14])([H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-5(4-6)2-3-7-5/h6H,3-4H2,1H3/t5-/m0/s1",98.79199,59.17025,
10865,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([O:7][C:6]([C@:4]1([O:5][H:13])[C:2][C:3]1([H:11])[H:12])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-7-4-5(6)2-3-5/h6H,2,4H2,1H3/t5-/m1/s1",119.55378999999999,78.17128000000001,
10866,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:12])[C@:4]1([O:5][H:13])[C:6]([O:7][H:11])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(4,7)3-6/h2,6-7H,3H2,1H3/t5-/m0/s1",65.50539,4.71414,
10867,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1=[O+:7][C-:6]([H:15])[C@:4]1([C:3]([H:11])([H:12])[H:14])[O:5][H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4-5(2,6)3-7-4/h3,6H,1-2H3/t5-/m0/s1",81.10811,47.22293,
10868,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C+:4]([O:5][H:13])[C:6]([O-:7])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4(2)5(7)3-6/h7H,1,3H2,2H3",64.67639,22.94656,
10869,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:6]1([C:7]([H:15])([H:16])[H:17])[C:4][C:5]1([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-5(7)6(2)3-4-6/h5,7H,3H2,1-2H3/t5-,6-/m1/s1",72.29466,58.02366,
10870,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:6]1([C:7]([H:15])([H:16])[H:17])[C:2]([H:11])=[O+:3][C-:4]([H:12])[C:5]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-6(2)3-4-7-5-6/h4-5H,3H2,1-2H3",86.29029,27.18812,
10871,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:14])[C:5]([H:13])=[C:6]1[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-5-3-4-7-6(5)2/h3,6H,4H2,1-2H3/t6-/m1/s1",66.55134,-29.207309999999996,
10872,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O+:3]=[C-:4][C:6]1([C:5]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-5-6(2,3)4-7-5/h5H,1-3H3/t5-/m1/s1",52.42864,26.382070000000002,
10873,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4](=[C:5]([H:13])[H:14])[H:12])([C:6](=[C:7]([H:16])[H:17])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-4-6(3)7-5-2/h4-6H,1-2H2,3H3/t6-/m1/s1",93.20678000000001,-10.39977,
10874,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:6](/[C@@:4]1([H:12])[O:3][C:5]1([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-3-5(2)6-4-7-6/h3,6H,4H2,1-2H3/b5-3+/t6-/m0/s1",95.95753,-7.8008,
10875,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]([C:5][H:13])([H:12])[C@@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-4-5(2)7-6(4)3/h2,4-6H,1,3H3/t4-,5-,6+/m0/s1",62.6787,61.90719,
10876,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O+:3]=[C-:4][C:5]([H:13])([H:14])[C@:6]1([C:7]([H:15])([H:16])[H:17])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-5-3-4-7-6(5)2/h5-6H,3H2,1-2H3/t5-,6-/m1/s1",55.96683,9.75773,
10877,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O+:3]=[C-:4][C:5]([H:13])([H:14])[C:6]1=[C:7]([H:16])[H:17])([H:8])([H:9])[H:10].[H:12][H:15],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H8O.H2/c1-5-3-4-7-6(5)2;/h6H,1,3H2,2H3;1H/t6-;/m1./s1",107.21101999999999,38.71966,
10878,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]1([C:5]([C:6][C:7]([H:15])([H:16])[H:17])([H:13])[H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-3-4-6-5(2)7-6/h5-6H,4H2,1-2H3/t5-,6+/m1/s1",73.09401,63.834880000000005,
10879,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1=[C:7]([H:16])[H:17])[H:11])([H:8])[H:9].[H:10][H:15],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H8O.H2/c1-3-7-6-4-5(6)2;/h3,6H,1-2,4H2;1H/t6-;/m0./s1",99.80004,39.38858,
10880,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@:6]1([C:5][H:14])[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-5-6(2,3)4-7-5/h2,5H,4H2,1,3H3/t5-,6+/m1/s1",65.2773,64.89825,
10881,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@@:4]([C:7]([H:15])([H:16])[H:17])([H:12])[C:5]([H:13])([H:14])[C:6]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-5-3-4-6(2)7-5/h5-6H,3H2,1-2H3/t5-,6-/m1/s1",88.69115,36.07233,
10882,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:6]1([C:7]([H:15])([H:16])[H:17])[C@:4]([O:3][H:10])([H:12])[C:5]1([H:13])[H:14])[H:11])([H:8])[H:9],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-3-6(2)4-5(6)7/h3,5,7H,1,4H2,2H3/t5-,6+/m0/s1",62.52315,-9.518360000000001,
10883,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C@@:4]1([H:12])[C:5]([H:13])=[C:6]1[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])[H:9].[H:10][H:14],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H8O.H2/c1-3-7-6-4-5(6)2;/h3-4,6H,1H2,2H3;1H/t6-;/m0./s1",96.00536,41.69785,
10884,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:14])([C:6]1([C:7]([H:15])([H:16])[H:17])[C:4]([H:12])=[C:5]1[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-5(7)6(2)3-4-6/h3-5,7H,1-2H3/t5-/m1/s1",71.24328,12.17119,
10885,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([O:3][C@@:4]1([H:12])[C:5]([H:13])([H:14])[C@:6]1([C:2][H:11])[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-6(2)4-5(6)7-3/h1,5H,4H2,2-3H3/t5-,6-/m0/s1",124.5221,70.80546,
10886,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])=[C:6]1[C:5]([C:7]([H:15])([H:16])[H:17])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-3-6-4-7-5(6)2/h4-5H,3H2,1-2H3/t5-/m1/s1",98.75248,-7.12516,
10887,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:6](\[C:5]([C:4](=[O:3])[H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-3-6(2)4-5-7/h3,5H,4H2,1-2H3/b6-3-",49.416059999999995,-28.75928,
10888,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C:2][C@@:6]2([H:16])[C:5]([H:14])([H:15])[C@:4]([C:3]([H:10])([H:11])[H:12])([H:13])[C@@:7]12[H:17],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-5-4-6-2-3-7(5)6/h5-7H,3-4H2,1H3/t5-,6+,7-/m1/s1",81.99801,70.3301,
10889,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C:3]([H:11])([H:12])[C:4][C:5]([H:14])([H:15])[C@:6]2([H:16])[C:7]1([H:13])[H:17],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h6-7H,2-5H2/t6-,7+",69.67639,50.35399,
10890,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C@:7]1([H:17])[C:6]2,"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-5-2-6-3-7(5)4-6/h5-7H,2-3H2,1H3/t5-,6+,7-/m0/s1",75.09871,50.15742,
10891,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C:4][C@:7]1([H:17])[C@@:6]2([C:5]([H:13])([H:14])[H:15])[H:16],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-5-6-2-3-7(5)4-6/h5-7H,2,4H2,1H3/t5-,6-,7+/m1/s1",74.35863,57.12395,
10892,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:16])[C:3]([H:11])([H:12])[C@:4]2([H:13])[C:5]([H:14])([H:15])[C:6][C@:7]12[H:17],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h6-7H,1-4H2/t6-,7+/m1/s1",65.93211,53.89004,
10893,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:15])[C@@:7]1([H:17])[C@:6]2([C:5][H:14])[H:16],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-5-6-2-3-7(5)4-6/h1,5-7H,2-4H2/t5-,6-,7+",78.60324,70.85622,
10894,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C:2]2=[C:3]([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17].[H:10][H:11],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H8.H2/c1-4-2-6-5(1)3-7(4)6;/h1,4,6-7H,2-3H2;1H/t4-,6-,7-;/m1./s1",133.01837,100.79275,
10895,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C:2]([C:6](=[C:5]([H:14])[H:15])[H:16])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:7]1[H:17],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h2-4,7H,1,5-6H2",69.40001,-18.81004,
10896,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]([H:13])([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1,"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h6-7H,1-3,5H2/t6-,7+/m0/s1",69.37677,34.37992,
10897,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@:6]1([H:16])[C:7]2([H:8])[H:17])[H:9],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-5-2-6-3-7(5)4-6/h1,5-7H,2-4H2/t5-,6-,7+/m0/s1",81.01777,71.0523,
10898,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1](=[C:2]([C:3]([C@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-2-4-7-5-3-6-7/h2-3,5,7H,1,4,6H2/t7-/m0/s1",81.35996999999999,3.3568,
10899,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:7][C:6]1([H:18])[C:4]([H:14])([H:15])[C:5]1([H:16])[H:17])([H:13])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H12O/c1-2-5-7-6-3-4-6/h6H,2-5H2,1H3",131.43478000000002,27.301240000000004,
10900,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C-:6]=[O+:7]1)([H:11])[H:12])([H:8])([H:9])[H:10].[H:18][H:19],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O.H2/c1-2-6-4-3-5-7-6;/h6H,2-4H2,1H3;1H/t6-;/m0./s1",81.4717,62.96338000000001,
10901,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[O:7][C:6]([C:5]([C:4]([H:12])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H12O/c1-3-5-7-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-",106.79831999999999,13.28524,
10902,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[C:5]([H:16])[H:17])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:18])[H:19],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C5H10.CH2O/c1-3-5-4-2;1-2/h3H,1,4-5H2,2H3;1H2",87.86205,27.38707,
10903,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[H:19])([H:16])[H:17])([H:14])[H:15])([H:13])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3",94.72055,-2.18994,
10904,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]([C:6]([H:16])([H:18])[H:19])[H:17])([H:14])[H:15],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C3H6O.C3H6/c1-2-3-4;1-3-2/h3H,2H2,1H3;3H,1H2,2H3",88.56275,18.49116,
10905,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C-:3]=[O+:7][C:6]([C:5]([C:4]([H:13])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H12O/c1-3-5-7-6-4-2/h3-5H2,1-2H3",85.31504,63.53873000000001,
10906,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:16].[C:2](=[C:3]([O:7][C:6]([C:5](=[C:4]([H:14])[H:15])[H:17])([H:18])[H:19])[H:13])([H:11])[H:12],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C5H8O.CH4/c1-3-5-6-4-2;/h3-4H,1-2,5H2;1H4",126.06026000000001,34.98353,
10907,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([C:5](=[C:6]([H:18])[H:19])[H:16])([H:14])[H:15])([O:7][H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1",83.69912,11.220139999999999,
10908,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:19].[C:2](=[C:3]([C:4]([C:5]([C:6](=[O:7])[H:18])([H:16])[H:17])([H:14])[H:15])[H:13])([H:11])[H:12],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C5H8O.CH4/c1-2-3-4-5-6;/h2,5H,1,3-4H2;1H4",115.95733,15.91583,
10909,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:7][C:6]([C:5](=[C:4]([H:14])[H:15])[H:16])([H:18])[H:19])([H:13])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H12O/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3",111.99918000000001,19.590310000000002,
10910,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:4](/[C:5]([C:6]([O:7][H:15])([H:18])[H:19])([H:16])[H:17])[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+",79.91099,9.812330000000001,
10911,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4]([C:5]([C:6]([O:7][H:12])([H:18])[H:19])([H:16])[H:17])([H:14])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2+",64.62715,8.354410000000001,
10912,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1([O:7][C:6]([H:13])([H:18])[H:19])[C:4]([H:14])([H:15])[C:5]1([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H12O/c1-3-6(7-2)4-5-6/h3-5H2,1-2H3",128.29549,25.819020000000002,
10913,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:7][C:6]([C:5]([C:4]([C:3](=[C:2]([H:11])[H:12])[H:13])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H12O/c1-3-4-5-6-7-2/h3H,1,4-6H2,2H3",110.19948000000001,22.22786,
10914,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[C:6](=[O:7])([H:16])[H:17].[O:1]([C:2]([C:3]([C:4](=[C:5]([H:14])[H:15])[H:12])([H:11])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-2-3-4-5;1-2/h2,5H,1,3-4H2;1H2",84.384,27.481920000000002,
10915,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([O:7][C:6]1([H:17])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:11])[H:16])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c6-3-4-7-5-1-2-5/h5-6H,1-4H2",131.14248999999998,27.33025,
10916,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([C:4]([C:5](=[C:6]([H:16])[H:17])[H:15])([H:12])[H:13])([O:7][H:14])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-3-5(7)4-6/h2,5-7H,1,3-4H2/t5-/m1/s1",82.3212,7.9689,
10917,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@:3]1([C:4]([C:5]([C:6]([O:7][H:8])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])[H:11],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c6-3-1-2-5-4-7-5/h5-6H,1-4H2/t5-/m1/s1",66.66707,19.19601,
10918,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[C:3]1([H:11])=[C:4]([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1.[O:1]([C:2]([H:9])([H:10])[H:12])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C4H6O.CH4O/c1-2-4-5-3-1;1-2/h1,3H,2,4H2;2H,1H3",111.69966000000001,23.77983,
10919,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C-:3]=[O+:7][C:6]([C:5]([C:4]([H:11])([H:12])[H:13])([H:14])[H:15])([H:16])[H:17])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-4-7-5-3-6/h6H,2-4H2,1H3",86.20764,60.13864,
10920,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[C:6]([H:16])[H:17].[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C4H8O2.CH2/c5-3-4-1-2-6-4;/h4-5H,1-3H2;1H2/t4-;/m1./s1",134.88561,129.49776,
10921,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[C:4]1([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1.[O:1]([C:2]([C:3][H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-2-4-3-1;1-2-3/h1-3H2;1,3H,2H2",133.55036,42.166959999999996,
10922,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[C:5](=[C:6]([H:16])[H:17])([H:14])[H:15].[O:1]([C:2]([C:4]([C:3](=[O:7])[H:11])([H:12])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C3H6O2.C2H4/c4-2-1-3-5;1-2/h2,5H,1,3H2;1-2H2",99.05421,20.55564,
10923,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[C:5](=[C:6]([H:16])[H:17])([H:14])[H:15].[O:1]([C:2]([C:3]([C:4]([H:11])([H:12])[H:13])=[O:7])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C3H6O2.C2H4/c1-3(5)2-4;1-2/h4H,2H2,1H3;1-2H2",88.19945,13.22461,
10924,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[O+:7][C-:6]([C:5]([C:4]([H:12])([H:13])[H:16])([H:14])[H:15])[H:17])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-4-7-5-3-6/h4-6H,2-3H2,1H3",120.71903,67.99412,
10925,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([C:5]([H:11])([H:14])[H:15])([H:12])[H:13])=[O+:7][C-:6]([H:16])[H:17])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-3-5(4-6)7-2/h6H,2-4H2,1H3",121.23252,67.26692,
10926,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@@:3]([O:7][H:8])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c6-5-2-1-3-7-4-5/h5-6H,1-4H2/t5-/m1/s1",84.33882,3.9881800000000003,
10927,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[C:2](=[C:3]1[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10].[O:1]([H:8])[H:11],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1",InChI=1S/C5H8O.H2O/c1-5-3-2-4-6-5;/h1-4H2;1H2,73.86865,5.26196,"1,3_Insertion_ROR"
10928,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[C:4](=[C:5]([C:6]([H:14])([H:16])[H:17])[H:15])([H:12])[H:13].[O:1]([C:2]([C:3](=[O:7])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C3H6.C2H4O2/c1-3-2;3-1-2-4/h3H,1H2,2H3;1,4H,2H2",87.29705,21.98542,
10929,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[O:1]=[C:2]([C:3]([C:4]([C:5]([C:6]([O:7][H:8])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])[H:9],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2",67.97476,-0.273,
10930,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[C:5]([C:6](=[O:7])[H:16])([H:14])([H:15])[H:17].[O:1]([C:2]([C:3](=[C:4]([H:12])[H:13])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h2,4H,1,3H2;2H,1H3",86.94901999999999,20.03872,
10931,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[C:3](=[C:4]([H:12])[H:13])([O:7][C:6]([C:5]([H:8])([H:14])[H:15])([H:16])[H:17])[H:11].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-3-5-4-2;1-2/h3H,1,4H2,2H3;1H2",103.65389,32.16533,
10932,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1([O:7][C:6]([H:11])([H:16])[H:17])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-7-5(4-6)2-3-5/h6H,2-4H2,1H3",130.89576,26.01857,
10933,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1](=[C:2]([N:3]=[C:4]([H:8])[H:10])[N:7]=[N+:6]=[N-:5])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c1-5-2(3)6-7-4/h3H,1H2",111.64136,25.55716,
10934,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]([N+:3]#[C:4][H:10])=[N:7][N:6]=[N-:5])([H:8])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c1-5-2(3)6-7-4/h1H,(H2-,3,4,6)",73.07085,61.81255,
10935,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:3][C:4]([H:10])=[N:5][N+:6]1=[N-:7])([H:8])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c3-2-5-1-6-7(2)4/h1H,(H2,3,5,6)",88.1159,31.62371,
10936,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1]([c:2]1[n:3]2[c:4]([H:10])[n:5][n:6]2[n:7]1)([H:8])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c3-2-5-7-4-1-6(2)7/h1H,(H2,3,5)",91.39748,76.78563,
10937,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:3][C@:4]1([N:5]=[N+:6]=[N-:7])[H:10])([H:8])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c3-1-2(5-1)6-7-4/h2H,(H2,3,5)/t2-/m0/s1",79.98291,41.86238,
10938,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1]([C@@:2]1([N:7]=[N+:6]=[N-:5])[N:3]=[C:4]1[H:10])([H:8])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c3-2(1-5-2)6-7-4/h1H,3H2/t2-/m1/s1",84.64291,53.49768,
10939,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]#[N+:3][C:4](=[N:5][N:6]=[N-:7])[H:10])([H:8])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)",InChI=1S/C2H2N5/c3-1-5-2-6-7-4/h2-3H/q-1/p+1,58.75939,45.93598,
10940,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][N+:6](=[N-:5])[C:4]([H:10])=[N:3]1)([H:8])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c3-2-5-1-7(4)6-2/h1H,(H2,3,6)",86.22948000000001,35.99584,
10941,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1](/[N:6]=[N:5]\[C:4](=[N:3]/[C:2]#[N:7])[H:10])([H:8])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c3-1-5-2-6-7-4/h2H,(H2,4,5,6)",90.24157,34.07099,
10942,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:13])[C:3]([N:4]([H:11])[H:12])=[C:5]=[C:6]([H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h3-4H,6H2,1H3/t4-/m0/s1",85.12966999999999,48.93246,
10943,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([N:4]([H:11])[H:12])([C:5]#[C:6][H:14])[H:13])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-3-5(6)4(2)7/h1,5H,6H2,2H3/t5-/m0/s1",85.1049,33.7277,
10944,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@:3]1([N:4]([H:11])[H:12])[C-:2]=[O+:7][C:6]([H:14])=[C:5]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-5(6)2-3-7-4-5/h2-3H,6H2,1H3/t5-/m1/s1",78.20995,63.69163,
10945,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C-:1]([C:2]1=[C:3]([N:4]([H:11])[H:12])[C:5]([H:13])=[C:6]=[O+:7]1)([H:8])[H:10].[H:9][H:14],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H5NO.H2/c1-4-5(6)2-3-7-4;/h2H,1,6H2;1H",126.12036,73.50913,
10946,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([N:4]([H:11])[H:12])[C:5]([H:13])([H:14])[C-:6]=[O+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2,6H2,1H3",64.19716,53.33503,Singlet_Carbene_Intra_Disproportionation
10947,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([C:5](=[C:6]([O-:7])[H:14])[H:13])[N+:4]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-5(6-4)2-3-7/h2-3,6-7H,1H3",75.65833,71.15346,
10948,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@@:3]3([N:4]([H:11])[H:12])[C@:5]1([H:13])[C@@:6]3([H:14])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-3(7-4)5(2,4)6/h2-3H,6H2,1H3/t2-,3-,4+,5-/m1/s1",117.6342,82.55135,
10949,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([N:4]([H:11])[H:12])=[C:5]([H:13])[C@@:6]1([H:14])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-5-3(6)2-4(5)7-5/h2,4H,6H2,1H3/t4-,5+/m1/s1",99.84446,55.8239,Intra_2+2_cycloaddition_Cd
10950,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C-:2]1[C:3]([N+:4]([H:11])([H:12])[H:13])=[C:5]=[C:6]([H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H6NO/c1-4-5(6)2-3-7-4/h3H,6H2,1H3/q-1/p+1",80.8303,77.11745,
10951,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:5]1([H:13])[C:3]([N:4]([H:11])[H:12])=[C:2]=[O+:7][C-:6]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2,4H,6H2,1H3/t4-/m1/s1",112.17148999999999,81.95148,
10952,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N:4]([H:11])[H:12])=[C:5]=[C:6]([H:13])[H:14])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-3-5(6)4(2)7/h1,6H2,2H3",64.58989,26.0272,
10953,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:6]1([H:14])[C:5]([H:13])=[C:3]([N:4]([H:11])[H:12])[C-:2]=[O+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2,4H,6H2,1H3/t4-/m0/s1",136.77032,47.785109999999996,
10954,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2](/[C:3]([N:4]([H:11])[H:12])=[C:5](\[C:6](=[O:7])[H:14])[H:13])[H:10])([H:8])[H:9],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-2-5(6)3-4-7/h2-4H,1,6H2/b5-3+",81.37743,11.0663,
10955,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])/[C:3](=[N:4]/[H:11])[C:5]([H:13])=[C:6]([H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-4,6H,1H3/b6-5+/t4-/m0/s1",75.50183,5.76279,
10956,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1/[C:3](=[N:4]\[H:12])[C:5]([H:13])=[C:6]([H:14])[O:7]1)([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H5NO.H2/c1-4-5(6)2-3-7-4;/h2-3,6H,1H2;1H/b6-5-;",74.65817,35.49677,
10957,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[O+:7][C-:6]([H:14])[C:3]1=[C:5]([N:4]([H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-5(2-6)3-7-4/h2-3H,6H2,1H3",160.08733999999998,83.48092,
10958,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([N:4]([H:11])[H:12])=[C:5]([H:13])[C:6]([H:10])([H:14])[O:7]1)([H:8])[H:9],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2H,1,3,6H2",84.17891999999999,10.870619999999999,Intra_ene_reaction
10959,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@:5]1([O+:6]=[C-:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-5-3-4-6(5)7-2/h2-3,6H,4H2,1H3/t6-/m1/s1",105.069,68.51675,
10960,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]2[C@@:5]([H:14])([C:4]([H:12])([H:13])[C:3]1([H:11])[H:15])[O:6]2)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h5H,2-3H2,1H3/t5-/m1/s1",111.91478000000001,50.78778,
10961,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[O:6][C@@:7]1([C:5][H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-5-3-4-7-6(5)2/h2-3,6H,4H2,1H3/t6-/m1/s1",115.08068,76.15533,
10962,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h4-6H,3H2,1H3/t4-,5-,6+/m1/s1",69.44332,70.42343000000001,Singlet_Carbene_Intra_Disproportionation
10963,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[O:6][C:5]([H:13])([H:14])[C:4]([H:12])=[C:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-6-3-2-4-7-5-6/h2-3,5H,4H2,1H3",63.44335,-8.09615,
10964,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:7](=[C:2]=[C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2,4,6H,5H2,1H3",76.30836,7.1835,
10965,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O+:6]=[C-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-6-3-2-4-7-5-6/h3H,2,4H2,1H3",71.35234,35.69231,
10966,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[O:6][C:5]([H:14])=[C:4]([H:12])[C:3]1([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-6-3-2-4-7-5-6/h2,4-5H,3H2,1H3",64.72386,-11.93625,
10967,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:7][C@@:5]([O:6][H:15])([H:14])[C:4]([H:12])([H:13])[C+:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h2,6-7H,3H2,1H3/t6-/m1/s1",65.36756,47.91476,
10968,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:7](=[O:6])[H:15])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]12[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-6(3-7)4-2-5(4)6/h3-5H,2H2,1H3/t4-,5+,6-",71.30625,20.1473,
10969,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:15])[C-:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O+:6]=[C:7]12)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,4-5H,3H2,1H3/t4-,5+/m0/s1",111.92013999999999,77.34903,
10970,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]([C:7][H:15])([H:14])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h1,4-5H,3H2,2H3/t5-/m0/s1",95.69946999999999,72.86521,
10971,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[C:2][C@@:7]2([H:15])[C@@:5]([H:14])([C:4]1([H:12])[H:13])[O:6]2)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-2-5-6(3-4)7-5/h4-6H,2H2,1H3/t4-,5-,6+/m1/s1",79.61071,71.26281,
10972,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3](=[C:4]([H:12])[H:13])[H:11])=[C:7](/[C:5](=[O:6])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-3-6(2)4-5-7/h3-5H,1H2,2H3/b6-4-",44.311240000000005,-6.57145,
10973,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3])[C@@:7]1([H:15])[C@:5]([C:4]([H:11])([H:12])[H:13])([H:14])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-4(2)6-5(3)7-6/h5-6H,1,3H3/t5-,6+/m1/s1",88.42441,76.51801,
10974,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:7]1=[O:6])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h3H,2,4H2,1H3",62.58716,-33.56582,
10975,[C:1]([C@@:2]1([H:11])[N:3]2[C:4]([H:12])([H:13])[C:5]1([O:6][H:14])[C:7]2([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:7]([H:15])([H:16])[C@:5]1([C:4][H:13])[O:6][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(7)2-6(4)3-5/h4,7H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H9NO/c1-4-5(2,7)3-6-4/h2,4,6-7H,3H2,1H3/t4-,5+/m1/s1",75.05966,50.0351,
10976,[C:1]([C@@:2]1([H:11])[N:3]2[C:4]([H:12])([H:13])[C:5]1([O:6][H:14])[C:7]2([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[C:5]1=[O:6])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(7)2-6(4)3-5/h4,7H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H9NO/c1-4-5(7)3-6(4)2/h4H,3H2,1-2H3/t4-/m1/s1",65.1071,-36.50587,
10977,[C:1]([C@@:2]1([H:11])[N:3]2[C:4]([H:12])([H:13])[C:5]1([O:6][H:14])[C:7]2([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:15])[H:16])([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(7)2-6(4)3-5/h4,7H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H9NO/c1-2-6-3-5(7)4-6/h2-4H2,1H3",65.33131999999999,-36.69143,
10978,[C:1]([C@@:2]1([H:11])[N:3]2[C:4]([H:12])([H:13])[C:5]1([O:6][H:14])[C:7]2([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:5]12[N:3]([C:4]1([H:12])[H:13])[C:7]2([H:15])[H:16])([O:6][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(7)2-6(4)3-5/h4,7H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H9NO/c1-4(7)5-2-6(5)3-5/h4,7H,2-3H2,1H3/t4-,5?,6?/m0/s1",69.72774,-11.06828,
10979,[C:1]([C@@:2]1([H:11])[N:3]2[C:4]([H:12])([H:13])[C:5]1([O:6][H:14])[C:7]2([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]2[C@:5]1([C:4]([O:6][H:14])([H:12])[H:13])[C:7]2([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(7)2-6(4)3-5/h4,7H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H9NO/c1-4-5(3-7)2-6(4)5/h4,7H,2-3H2,1H3/t4-,5+,6?/m1/s1",72.9696,-10.44736,
10980,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O:1](/[C:2](=[C:3]1/[C:4]([H:9])([H:10])[N:5]2[C@@:6]1([H:12])[C:7]2([H:13])[H:14])[H:8])[H:11],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c7-3-4-1-6-2-5(4)6/h3,5,7H,1-2H2/b4-3-/t5-,6?/m0/s1",96.84822,-12.94714,
10981,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O-:1][C:2](=[C:3]1[C:4]([H:9])([H:10])[N+:5](=[C:6]([H:11])[H:12])[C:7]1([H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c1-6-2-5(3-6)4-7/h4H,1-3H2",37.48491,10.962769999999999,
10982,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O:1]=[C:2]([C:7]([C:3]12[C:4]([H:9])([H:10])[N:5]1[C:6]2([H:11])[H:12])([H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c7-2-1-5-3-6(5)4-5/h2H,1,3-4H2",56.6385,-18.11936,
10983,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O:1]=[C:2]([C:3]1([C:4][H:9])[C:6]([H:11])([H:12])[N:5]([H:10])[C:7]1([H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c1-5(4-7)2-6-3-5/h1,4,6H,2-3H2",76.76531999999999,40.0201,
10984,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N+:5]([H:14])([C:6]1([H:11])[H:12])[C-:7]2[H:13])[H:8],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h1,4,6H,2-3H2",76.75516999999999,54.60355,
10985,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O+:1](=[C-:2][H:8])[C:7]([C:3]12[C:4]([H:9])([H:10])[N:5]1[C:6]2([H:11])[H:12])([H:13])[H:14],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c1-7-4-5-2-6(5)3-5/h1H,2-4H2",82.255,49.34183,
10986,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[C:3]12([C:6]([H:8])([H:11])[H:12])[C:4]([H:9])([H:10])[N:5]1[C:7]2([H:13])[H:14].[O+:1]#[C-:2],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C4H7N.CO/c1-4-2-5(4)3-4;1-2/h2-3H2,1H3;",74.49427,-22.8078,
10987,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O+:1](=[C-:2][H:8])[C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c1-7-5-2-6(3-5)4-5/h1H,2-4H2",103.2202,58.78625,
10988,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O:1]=[C:2]([C:4]([N+:5]12[C-:3]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c7-2-1-6-3-5(6)4-6/h2H,1,3-4H2",56.74301,34.05793,
10989,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:4]([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10].[O:3]([H:11])[H:12],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H6O.H2O/c1-3-2-4-5(3)6-4;/h2,4-5H,1H3;1H2/t4-,5+;/m1./s1",71.03305,30.14,"1,3_Insertion_ROR"
10990,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:4]([H:12])[H:13])([H:8])([H:9])[H:10].[C:5]([O-:6])(=[C+:7][H:15])[H:14],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C3H6O.C2H2O/c1-3(2)4;1-2-3/h4H,1H2,2H3;1-2H",78.40168,68.59411999999999,
10991,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O+:6]=[C-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-5(6)2-3-7-4-5/h6H,2-3H2,1H3/t5-/m1/s1",58.291380000000004,12.712480000000001,
10992,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@:5]([O:6][H:15])([H:14])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-5(7)2-4(6)3-5/h4,6-7H,2H2,1H3/t4-,5-/m1/s1",66.71842,60.912859999999995,
10993,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C-:5]([H:14])[O+:6]=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-5(6)2-3-7-4-5/h3-4,6H,2H2,1H3/t5-/m1/s1",59.14395,27.52125,
10994,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])[H:9].[O:3]([H:10])[H:11],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H6O.H2O/c1-3-2-4-5(3)6-4;/h4-5H,1-2H2;1H2/t4-,5+;/m1./s1",70.02381,17.49439,"1,3_Insertion_ROR"
10995,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5][H:14])([H:12])[H:13])[C:7](=[O:6])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,4,7H,3H2,2H3/t5-/m1/s1",70.82069,60.04063000000001,
10996,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:11])[C:7]([O:6][C:5](=[C:4]([H:12])[H:13])[H:14])([H:10])[H:15])([H:8])[H:9],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-3-7-4-5(2)6/h3,6H,1-2,4H2",103.43587,-10.74952,
10997,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:11])[C:4]([C@@:5]1([H:14])[O+:6]=[C-:7]1)([H:12])[H:13])([H:8])[H:9].[H:10][H:15],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H6O2.H2/c1-4(6)2-5-3-7-5;/h5-6H,1-2H2;1H/t5-;/m1./s1",108.79075,57.06194,
10998,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@:5]1([O+:6]=[C-:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-5(6)3-4(5)7-2/h2,4,6H,3H2,1H3/t4-,5-/m1/s1",78.91213,49.829609999999995,
10999,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:4]([C@@:5]1([H:14])[O:6][C@:7]1([C:2][O:3][H:11])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-2-4-5(3-6)7-4/h4-6H,2H2,1H3/t4-,5+/m1/s1",117.63391999999999,38.60471,
11000,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C@@:7]1([H:15])[C@:5]([C:4]([H:11])([H:12])[H:13])([H:14])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-3(6)5-4(2)7-5/h4-5H,1-2H3/t4-,5+/m1/s1",68.25395,-21.58298,
11001,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1(=[O:3])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C4H4O2.CH4/c5-2-1-3-4(2)6-3;/h3-4H,1H2;1H4/t3-,4+;/m1./s1",81.56664,7.5551,
11002,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2](=[O:3])[C@@:7]2([H:15])[C@@:5]([H:14])([C:4]1([H:12])[H:13])[O:6]2.[H:10][H:11],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H6O2.H2/c6-3-1-2-4-5(3)7-4;/h4-5H,1-2H2;1H/t4-,5+;/m1./s1",99.00272,-5.48174,
11003,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[O:6][C@@:7]1([C:5][H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-4-5(2,6)3-7-4/h1,4,6H,3H2,2H3/t4-,5-/m1/s1",109.46588999999999,72.99502,
11004,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C-:5]=[O+:6][C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-5(6)2-3-7-4-5/h6H,2,4H2,1H3/t5-/m1/s1",61.05048000000001,14.1879,
11005,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[C:7]([C@@:5]([O:4][H:11])([C:6]([H:15])([H:16])[H:17])[H:14])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-5(2)4-6(3)7/h6-7H,1,4H2,2-3H3/t6-/m0/s1",84.80917,9.43939,
11006,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7](/[C@@:5]([O:4][C:3]([H:12])([H:13])[H:19])([C:6]([H:15])([H:16])[H:17])[H:14])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-5-6(2)7-3/h4-6H,1-3H3/b5-4+/t6-/m0/s1",110.38758,18.3436,
11007,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7](/[C:5]([C:6]([H:15])([H:16])[H:17])([H:14])[H:19])[H:18])[H:11])([H:8])([H:9])[H:10].[C:3](=[O:4])([H:12])[H:13],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H10.CH2O/c1-3-5-4-2;1-2/h3,5H,4H2,1-2H3;1H2/b5-3+;",87.20640999999999,26.542720000000003,
11008,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]([C:7]([C@@:5]([O+:4]=[C-:3][H:12])([C:6]([H:15])([H:16])[H:17])[H:14])([H:18])[H:19])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-5-6(2)7-3/h3,6H,4-5H2,1-2H3/t6-/m0/s1",81.9033,63.928490000000004,
11009,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[O+:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-5-3-6(2)7-4-5;/h5-6H,3H2,1-2H3;1H/t5-,6+;/m1./s1",81.61556,63.498,
11010,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O+:4]=[C-:5][C:7]1([H:18])[H:19])([H:8])([H:9])[H:10].[C:6]([H:14])([H:15])([H:16])[H:17],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-5-2-3-6-4-5;/h5H,2,4H2,1H3;1H4/t5-;/m1./s1",84.77076,55.661159999999995,
11011,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([C:6]([H:15])([H:16])[H:17])(=[C:7]([H:18])[H:19])[H:14],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C3H6O.C3H6/c1-2-3-4;1-3-2/h3H,2H2,1H3;3H,1H2,2H3",88.98364000000001,20.32532,
11012,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([O:4][C:5]([C:6]([H:15])([H:16])[H:17])([H:13])[H:14])([H:12])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1",131.33491,23.76168,
11013,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:6]([H:15])([H:16])[H:17])[C:3]([H:12])([H:13])[O:4][C:5]([H:14])=[C:7]1[H:18])([H:8])([H:9])[H:10].[H:11][H:19],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-6(2)3-4-7-5-6;/h3-4H,5H2,1-2H3;1H",168.37601,28.03831,
11014,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O+:4]=[C-:5][C:6]([H:15])([H:16])[H:17])([H:12])[H:13])([C:7]([H:14])([H:18])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-7-5-6(2)3/h6H,5H2,1-3H3",86.19618,61.39682,
11015,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-5-3-2-4-6-5;/h5H,3-4H2,1H3;1H4/t5-;/m0./s1",90.65801,81.42164,
11016,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([O:4][C:5]([C:6]([H:15])([H:16])[H:17])([C:7]([H:9])([H:18])[H:19])[H:14])([H:12])[H:13])[H:11])([H:8])[H:10],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-5-7-6(2)3/h4,6H,1,5H2,2-3H3",108.90068000000001,19.993779999999997,
11017,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:5]([O:4][C:3]([H:12])([H:13])[H:14])([C:6]([H:15])([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-5-4-6(5,2)7-3/h5H,4H2,1-3H3/t5-,6-/m1/s1",126.26981,27.089890000000004,
11018,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2][H:11])([H:8])([H:9])[H:10].[C:3]1([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H8O.C2H4/c1-4-2-3-5-4;1-2/h4H,2-3H2,1H3;1H,2H3/t4-;/m0./s1",142.98498,118.03981999999999,
11019,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([O:4][H:18])([H:12])[H:13])(/[C:7](=[C:5](/[C:6]([H:15])([H:16])[H:17])[H:14])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-4-6(2)5-7/h3-4,6-7H,5H2,1-2H3/b4-3+/t6-/m1/s1",80.3135,8.612039999999999,
11020,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:18].[C:2]1([H:11])=[C:7]([H:19])[C@@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:4][C:3]1([H:12])[H:13],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-5-3-2-4-6-5;/h2-3,5H,4H2,1H3;1H4/t5-;/m0./s1",112.94223999999998,17.97171,
11021,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:4][C:5](=[C:6]([H:15])[H:17])[H:14])([H:12])[H:13])([C:7]([H:16])([H:18])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,1,5H2,2-3H3",107.13443000000001,15.875829999999999,
11022,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:12])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-5-3-6(2)7-4-5;/h4,6H,3H2,1-2H3;1H/t6-;/m0./s1",113.04575,23.70609,
11023,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1](=[C:2])([C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1,4-7H/t5-,6+/m0/s1",57.05137,48.77624,Singlet_Carbene_Intra_Disproportionation
11024,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1]1([H:8])=[C:2]=[C:3]([H:9])[N:4]([H:10])[C:5]([H:11])=[C:6]=[C:7]1[H:12],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-2-4-6-7-5-3-1/h1-2,5-7H",34.55614,21.9336,6_membered_central_C-C_shift
11025,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1]12=[C:2]([H:8])[C@@:3]3([H:9])[N:4]([H:10])[C@@:5]3([H:11])[C:6]1=[C:7]2[H:12],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-3-2-5-6(7-5)4(1)3/h1-2,5-7H/t5-,6+/m1/s1",44.1306,17.88869,
11026,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1]1([H:8])=[C:2]=[C:3]([H:9])[N:4]([H:10])[C+:5]([H:11])[C:6]1=[C-:7][H:12],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-6-3-2-4-7-5-6/h1,3-5,7H",67.03194,36.30267,
11027,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1]1([H:8])=[C:2]=[C:3]([H:9])[N:4]([H:10])[C@:5]2([H:11])[C:6]1=[C:7]2[H:12],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-2-5-4-6(5)7-3-1/h2-4,6-7H/t6-/m0/s1",67.0459,30.57685,
11028,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1](/[C:2](=[C:3]1/[N:4]([H:10])[C@:5]1([C:6]#[C:7][H:12])[H:11])[H:9])[H:8],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-3,6-7H/b5-3+/t6-/m0/s1",82.80041,58.86146,
11029,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1](#[C:2][C:5]([N:4]([C:3][H:9])[H:10])([C:6]#[C:7][H:12])[H:11])[H:8],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-4-6(5-2)7-3/h1-3,6-7H",88.28017,37.05693,
11030,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1](#[C:2][C-:3]([N:4]([C:5](=[C:6]=[C+:7][H:12])[H:11])[H:10])[H:9])[H:8],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-3-5-7-6-4-2/h1-2,5-7H",41.24803,11.45416,
11031,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C:5]1=[C:6]=[C:7]([H:11])[H:12])[H:8],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1,5,7H,2H2/t5-/m1/s1",86.31751,6.8808,
11032,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C@@:4]2([H:15])[C:5]([H:16])([H:17])[C@@:6]12[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:14])[H:19],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10.H2O/c1-2-4-5-3-6(4)5;/h4-6H,2-3H2,1H3;1H2/t4-,5+,6-;",105.73535,27.81527,
11033,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([C:6][O:7][H:19])([H:16])[H:17])([H:15])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-2-3-4-5-6-7/h7H,2-5H2,1H3",55.19217,34.230540000000005,
11034,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:19])([H:8])([H:9])[H:10].[C:3](=[C:4]([C:5]([C:6](=[O:7])[H:18])([H:16])[H:17])[H:15])([H:13])[H:14],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C4H6O.C2H6/c1-2-3-4-5;1-2/h2,4H,1,3H2;1-2H3",71.97306,4.09328,
11035,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](/[C:4]([C:5]([H:15])([H:16])[H:17])=[C:6](\[O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5,7H,3-4H2,1-2H3/b6-5-",68.56177,-11.477780000000001,
11036,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:7][H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]1([H:15])=[C:6]([H:18])[C:5]1([H:16])[H:17],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C3H8O.C3H4/c1-2-3-4;1-2-3-1/h4H,2-3H2,1H3;1-2H,3H2",118.86536000000001,48.44308,
11037,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:15])=[C:5]([H:17])[C:6]1([O:7][H:19])[H:18].[H:12][H:16],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C3H4O.C3H6.H2/c4-3-1-2-3;1-3-2;/h1-4H;3H,1H2,2H3;1H",109.13906999999999,71.58185999999999,
11038,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](/[C:5](=[C:6](/[O:7][H:19])[H:18])[H:16])([H:15])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-2-3-4-5-6-7/h5-7H,2-4H2,1H3/b6-5+",68.9433,-8.0676,
11039,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6][O:7][H:19])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-3-4-6(2)5-7/h6-7H,3-4H2,1-2H3/t6-/m1/s1",56.92925,35.65704,
11040,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[C@:4]2([H:15])[C:5]([H:16])([H:17])[C@:6]12[H:18].[O:7]([H:9])[H:19],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10.H2O/c1-2-5-4-6(5)3-1;/h5-6H,1-4H2;1H2/t5-,6+;",107.80653000000001,-1.88368,
11041,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4][C:5]([C:6]([O:7][H:19])([H:15])[H:18])([H:16])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-2-3-4-5-6-7/h7H,2-3,5-6H2,1H3",69.85611999999999,59.9193,
11042,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]1=[C:6]([O:7][H:19])[C:5]1([H:16])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:18],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O.H2/c1-2-3-5-4-6(5)7;/h7H,2-4H2,1H3;1H",121.16462,48.36979,
11043,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C:6]1=[O:7])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:18][H:19],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O.H2/c1-2-3-5-4-6(5)7;/h5H,2-4H2,1H3;1H/t5-;/m0./s1",89.84304,27.917209999999997,
11044,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:17])=[C:6]1[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:16])[H:19],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10.H2O/c1-2-3-6-4-5-6;/h4-6H,2-3H2,1H3;1H2",79.98682,36.140679999999996,
11045,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:14])([H:8])([H:9])[H:10].[C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:13],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C4H6O.C2H6/c1-3-2-4(3)5;1-2/h1,3-5H,2H2;1-2H3/t3-,4+;/m0./s1",92.60374,90.27091999999999,
11046,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:3]([H:13])([H:14])[C@:4]1([C:5]([C:6]([O:7][H:19])([H:12])[H:18])([H:16])[H:17])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-5-4-6(5)2-3-7/h5-7H,2-4H2,1H3/t5-,6-/m1/s1",97.6914,1.69124,
11047,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]=[O:4])([H:8])([H:9])[H:10].[H:11][H:12].[N:5](=[C:6]([H:13])[H:14])[C:7]([H:15])([H:16])[H:17],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)","InChI=1S/C2H3NO.C2H5N.H2/c1-3-2-4;1-3-2;/h1H3;1H2,2H3;1H",74.38664,44.33335,
11048,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3]([O:4][C:6]([H:12])([H:13])[H:14])=[N:5]\[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)","InChI=1S/C4H10N2O/c1-5-4(6-2)7-3/h1-3H3,(H,5,6)",76.81898000000001,19.78285,ketoenol
11049,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][H:11])([H:9])[H:10].[C:3](=[O:4])([N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:8],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)","InChI=1S/C3H7NO.CH3N/c1-4(2)3-5;1-2/h3H,1-2H3;2H,1H2",105.04036,27.83737,
11050,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@:3]([N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])([H:11])[O:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)","InChI=1S/C4H10N2O/c1-5(2)4-6(3)7-4/h4H,1-3H3/t4-,6?/m1/s1",127.09733,74.17472,
11051,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C-:1]([N+:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])([H:8])[H:11])([H:9])[H:10],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)","InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1,5H2,2-3H3",92.24231,76.18271999999999,
11052,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[O:4][H:11])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)","InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)",44.62675,19.00486,ketoenol
11053,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C:1]([O:4]/[C:3](=[N:2]/[H:11])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)","InChI=1S/C4H10N2O/c1-6(2)4(5)7-3/h5H,1-3H3/b5-4+",77.93731,19.344,ketoenol
11054,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C:1]([N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10].[N:2](=[C:3]=[O:4])[H:11],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)",InChI=1S/C3H9N.CHNO/c1-4(2)3;2-1-3/h1-3H3;2H,87.20424,17.36786,
11055,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4][C:5]([H:14])([H:17])[C:6]([H:15])([H:16])[C:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-2-6-4-3-5-7-6/h6H,2-3,5H2,1H3/t6-/m1/s1",62.935959999999994,35.98127,
11056,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C:2](=[C:3]([O:4][C:5]1([H:14])[C:6]([H:16])=[C:7]1[H:17])[H:13])([H:11])[H:12],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C5H6O.CH4/c1-2-6-5-3-4-5;/h2-5H,1H2;1H4",115.54354,32.03799,
11057,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[O:4][C:5]1([H:14])[C:6]([H:15])=[C:7]1[H:17])[H:13])[H:11])([H:8])([H:9])[H:10].[H:12][H:16],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H8O.H2/c1-2-5-7-6-3-4-6;/h2-6H,1H3;1H/b5-2-;",97.47476,42.74472,
11058,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4][C:5]([H:14])([H:15])[C@:7]1([C:6][H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-3-6-5(2)4-7-6/h2,5-6H,3-4H2,1H3/t5-,6-/m1/s1",65.71924,65.58989,
11059,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:7](\[C:6]([C:5](=[O:4])[H:14])([H:15])[H:16])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-",43.05208,-28.86635,
11060,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:4][C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@:7]1([C:3](=[C:2]([H:11])[H:12])[H:13])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-3-5-4-6(5)7-2/h3,5-6H,1,4H2,2H3/t5-,6+/m1/s1",108.44095,-0.29504,
11061,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:7]1([H:17])[C:3]([H:13])=[O+:4][C-:5]([H:14])[C:6]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-2-6-3-4-7-5-6/h4-6H,2-3H2,1H3/t6-/m1/s1",88.56291,26.10693,
11062,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@:5]([C:6][H:15])([H:14])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-3-6-4-5(2)7-6/h2,5-6H,3-4H2,1H3/t5-,6+/m0/s1",62.04419,60.38823000000001,
11063,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:16])([C:7]1([H:17])[C:5]([H:14])=[C:6]1[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-2-6(7)5-3-4-5/h3-7H,2H2,1H3/t6-/m1/s1",71.59824,11.3525,
11064,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-3-6-4-5(2)7-6/h5-6H,3H2,1-2H3/t5-,6+/m0/s1",61.57935,55.20994,
11065,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4][C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-2-6-4-3-5-7-6/h3,5-6H,2,4H2,1H3/t6-/m1/s1",62.05206,-31.861040000000003,
11066,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O+:4]=[C-:5][C@:7]1([C:6]([H:14])([H:15])[H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-3-6-5(2)4-7-6/h5-6H,3H2,1-2H3/t5-,6-/m1/s1",52.7916,25.90931,
11067,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C@@:7]1([H:17])[C@:5]([O:4][H:12])([H:14])[C:6]1([H:15])[H:16])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-2-3-5-4-6(5)7/h2-3,5-7H,4H2,1H3/b3-2+/t5-,6+/m1/s1",60.78252,-13.690389999999999,
11068,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:7]1([H:17])[C:5][C:6]1([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-2-6(7)5-3-4-5/h5-7H,2-3H2,1H3/t5-,6-/m1/s1",72.41891,56.94066,
11069,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O+:4]=[C-:5][C:6]([H:15])([H:16])[C:7]1([H:14])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-2-6-4-3-5-7-6/h6H,2-4H2,1H3/t6-/m1/s1",56.471309999999995,6.35307,
11070,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C:6]([H:14])([H:15])[C:4]([N:5]([H:12])[H:13])=[C:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2H,3,6H2,1H3",42.45601,4.605119999999999,
11071,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1[C@@:3]([C-:4][N:5]([H:12])[H:13])([H:11])[C+:6]([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-5(2-6)3-7-4/h3,5,7H,6H2,1H3/t5-/m1/s1",142.85257,120.23751999999999,
11072,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C@@:4]([N:5]([H:12])[H:13])([H:14])[C:6][N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2,5,7H,6H2,1H3/t5-/m0/s1",58.050959999999996,55.78499,Singlet_Carbene_Intra_Disproportionation
11073,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C:2]1=[C:3]([H:11])[C:4]([N:5]([H:12])[H:13])=[C:6]([H:14])[N:7]=1,"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C4H4N2.CH4/c5-4-1-2-6-3-4;/h1,3H,5H2;1H4",97.79188,89.98850999999999,
11074,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C:6]([H:14])=[C:4]([N:5]([H:12])[H:13])[C:3]1([H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h3H,2,6H2,1H3",42.71405,10.49843,
11075,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[C:4]([N:5]([H:12])[H:13])[C+:6]([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h3-4,7H,6H2,1H3/t4-/m0/s1",68.6825,65.43377,Singlet_Carbene_Intra_Disproportionation
11076,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:15])[C:3]([H:11])=[C:4]([N:5]([H:12])[H:13])[C:6]([H:14])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-4H,6H2,1H3/t4-/m0/s1",42.49115,12.3479,
11077,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[C:2][N:7]([H:15])[C:6]([H:14])=[C:4]1[N:5]([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-7-3-5(4)6/h3-4,7H,6H2,1H3/t4-/m0/s1",81.9256,51.50437,
11078,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2]([C@:3]1([H:11])[C:4]([N:5]([H:12])[H:13])=[C:6]1[H:14])=[N:7]\[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-3(6)4-2-5(4)7/h2,4,6H,7H2,1H3/b6-3+/t4-/m1/s1",95.49689000000001,54.29812,
11079,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]\[H:13])[C:6]([H:12])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2,6-7H,3H2,1H3/b6-5+",71.76017,8.39273,
11080,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([N:5]([H:12])[H:13])/[C:6](=[N:7]/[H:15])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-2-3-5(7)4-6/h2,4,6H,7H2,1H3/b6-4+",68.68087,43.94743,
11081,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([N:5]([H:12])[H:13])[C:6]([H:10])([H:14])[N:7]1[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2,7H,1,3,6H2",89.06227,14.873289999999999,Intra_ene_reaction
11082,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:10])([H:11])[C:4]([N:5]([H:12])[H:13])=[C:6]([H:14])[N:7]1[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h3,7H,1-2,6H2",91.60427,20.97886,
11083,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]=[C:4]([N:5]([H:12])[H:13])[C:6]([H:11])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h7H,3,6H2,1H3",86.39065,51.48121,
11084,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([N:5]([H:12])[H:13])=[C-:6][N+:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2H,6-7H2,1H3",84.52986,76.20639,
11085,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[C:6]([H:14])=[N:7]1)([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H6N2.H2/c1-4-2-5(6)3-7-4;/h2-3,6H,1H3;1H/b6-5-;",110.94785,40.96283,
11086,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]1[N+:5]([H:12])([H:13])[C-:6]1[H:14])[H:11])=[N:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4(6)2-5-3-7-5/h2-3,6H,7H2,1H3",93.91266,89.91603,
11087,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C+:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c-:6][n:7]1[H:15])([H:8])[H:9].[H:10][H:14],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H6N2.H2/c1-4-2-5(6)3-7-4;/h2,7H,1,6H2;1H",120.99125,69.29186999999999,
11088,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]=[C:4]([N+:5]([H:11])([H:12])[H:13])[C-:6]([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H7N2/c1-4-2-5(6)3-7-4/h3,7H,6H2,1H3/q-1/p+1",81.40053,78.60684,
11089,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][H:11])([H:8])([H:9])[H:10].[C:4]([N:5]([H:12])[H:13])/[C:6](=[N:7]/[H:15])[H:14],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C3H4.C2H4N2/c1-3-2;3-1-2-4/h1H,2H3;1,3H,4H2/b;3-1+",109.45307,97.33937,
11090,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N+:4]1([C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])[C-:2]([H:11])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-6(2-3-6)4-5-7/h2,7H,3-5H2,1H3",114.21866000000001,61.2377,
11091,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]([H:13])[N+:4]1([C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h4-7H,2-3H2,1H3/t5-/m0/s1",66.28726999999999,53.07965,
11092,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([O:7][H:18])([H:14])[H:15])([H:8])([H:9])[H:10].[C:6]([H:16])[H:17],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C4H9NO.CH2/c1-4-2-5(4)3-6;/h4,6H,2-3H2,1H3;1H2/t4-,5?;/m0./s1",124.39891999999999,110.15196999999999,
11093,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1/[C:5](=[C:6](\[O:7][H:18])[H:16])[H:14])([H:8])([H:9])[H:10].[H:15][H:17],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9NO.H2/c1-5-4-6(5)2-3-7;/h2-3,5,7H,4H2,1H3;1H/b3-2-;/t5-,6?;/m0./s1",107.55738999999998,23.48123,
11094,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N+:4]([C-:5]([H:14])[H:15])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10].[C:6]([O:7][H:18])([H:11])([H:16])[H:17],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C4H7N.CH4O/c1-4-3-5(4)2;1-2/h2-3H2,1H3;2H,1H3",98.43696,67.26044,
11095,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6][H:16])([H:14])[H:15])([H:8])([H:9])[H:10].[O:7]([H:17])[H:18],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9N.H2O/c1-3-6-4-5(6)2;/h1,5H,3-4H2,2H3;1H2/t5-,6?;/m0./s1",83.80745,12.62771,
11096,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:18])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-5-4-6-2-3-7-5/h5-6H,2-4H2,1H3/t5-/m0/s1",72.27293,-12.91025,
11097,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[N+:4]([C-:3]([H:12])[H:13])[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-3-6(2)4-5-7/h3,7H,2,4-5H2,1H3",48.53882,28.43432,
11098,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N+:4]([C-:5]([C:6]([O:7][H:18])([H:16])[H:17])[H:14])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9NO.H2/c1-5-4-6(5)2-3-7;/h2,7H,3-4H2,1H3;1H",87.53973,72.27645,
11099,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]1[C:3]([H:12])([H:13])[N+:4]1([C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h6-7H,2-4H2,1H3",75.1989,55.41056,
11100,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[N+:4]1[C-:5]([C:6]([O:7][H:18])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9NO.H2/c1-5-4-6(5)2-3-7;/h2,4-5,7H,3H2,1H3;1H/t5-;/m0./s1",84.36893,72.09879000000001,
11101,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5](=[C:6]([H:16])[H:17])[H:14])([H:8])([H:9])[H:10].[O:7]([H:15])[H:18],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9N.H2O/c1-3-6-4-5(6)2;/h3,5H,1,4H2,2H3;1H2/t5-,6?;/m0./s1",70.49554,9.737219999999999,"1,3_Insertion_ROR"
11102,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([H:14])([H:15])[H:17])([H:8])([H:9])[H:10].[C:6]([O:7][H:18])[H:16],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C4H9N.CH2O/c1-4-3-5(4)2;1-2/h4H,3H2,1-2H3;1-2H/t4-,5?;/m0./s1",87.64805,77.04184000000001,
11103,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:4]/[C:3]([C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-2-6-4-3-5-7/h2,7H,3-5H2,1H3/b6-2+",91.03488,-16.496470000000002,
11104,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]([H:13])[C@@:7]3([H:14])[C:6]1,"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-4-5-3(1)6(5)7-4/h3-7H,1H2/t3-,4+,5-,6-/m1/s1",57.024480000000004,52.23405,
11105,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C:2][C@:4]2([H:12])[C:3]([H:10])([H:11])[C@@:7]3([H:14])[N:5]2[C@@:6]13[H:13],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-5-6-3-4(1)7(5)6/h4-6H,2-3H2/t4-,5+,6-,7?/m1/s1",58.308859999999996,51.0422,
11106,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])=[C:6]([H:13])[N:5]2[C@:4]([H:12])([C:2]1([H:9])[H:10])[C:3]([H:11])=[C:7]2[H:14],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-6-3-5-7(6)4-1/h1,3-6H,2H2/t6-/m1/s1",71.12784,-12.77355,
11107,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C:3][C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C:7]2([H:11])[H:14],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-4-2-6(4)7-3-5(1)7/h4-6H,1,3H2/t4-,5+,6+,7?/m1/s1",76.79687,69.08953000000001,
11108,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])=[C:2]([H:10])[C@:4]2([H:12])[C:3]([H:11])=[C:7]([H:14])[N:5]2[C:6]1([H:9])[H:13],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-6-3-5-7(6)4-1/h1-3,5-6H,4H2/t6-/m1/s1",72.86338,-11.830589999999999,
11109,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C:2][C@@:3]2([H:11])[C:4]([H:10])([H:12])[N:5]3[C@:6]1([H:13])[C@@:7]23[H:14],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-5-6-4(1)3-7(5)6/h4-6H,2-3H2/t4-,5-,6+,7?/m0/s1",60.34738,55.78975,
11110,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:9])=[C:6]([H:13])[C@@:7]2([H:14])[C@@:3]([H:11])([C:2]1([H:8])[H:10])[C:4]([H:12])=[N:5]2,"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-5-4-7-6(5)3-1/h1,3-6H,2H2/t5-,6-/m0/s1",56.40019,-25.77894,
11111,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C:3][C@@:7]3([H:14])[N:5]([C:4]2([H:11])[H:12])[C@@:6]13[H:13],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-4-2-6-5(1)7(6)3-4/h4-6H,1,3H2/t4-,5+,6-,7?/m1/s1",56.793519999999994,39.144420000000004,
11112,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@:4]3([H:12])[C:3]([H:11])=[C:7]([H:14])[C@@:6]1([H:13])[N:5]23,"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-5-6-3-4(1)7(5)6/h1-2,4-6H,3H2/t4-,5+,6-,7?/m1/s1",54.785019999999996,-7.81385,
11113,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@:3]3([H:11])[C@@:4]2([H:12])[C@:7]3([H:14])[N:5]=[C:6]1[H:13],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-7-6-4-3(1)5(4)6/h2-6H,1H2/t3-,4+,5-,6+",75.57378,51.72269,
11114,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C@@:1]12([H:8])[C@@:2]3([H:10])[C@:3]1([H:11])[C@:7]1([H:14])[N:5]([C:4]3([H:9])[H:12])[C@:6]21[H:13],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-3-4(2)6-5(3)7(1)6/h2-6H,1H2/t2-,3+,4-,5+,6-,7?",103.18806,1.1492200000000001,
11115,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]([H:11])([C:4]2)[C@@:7]2([H:14])[N:5]([H:12])[C@@:6]12[H:13],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-3-2-5-6(7-5)4(1)3/h3-7H,2H2/t3-,4-,5+,6-/m1/s1",68.39949,59.8285,
11116,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]3[C@@:6]1([C:7][H:14])[H:13],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-3-2-4-5-6(4)7(3)5/h1,3-6H,2H2/t3-,4-,5+,6-,7?/m1/s1",94.98203000000001,90.37574000000001,
11117,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C:3]([H:11])=[C:7]([H:14])[N:5]3[C@:4]2([H:12])[C@@:6]13[H:13],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-7-5-3-4(1)6(5)7/h1-2,4-6H,3H2/t4-,5+,6-,7?/m0/s1",65.14729,-2.7244099999999998,
11118,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:9])=[C:2]([H:10])[C@@:3]2([H:11])[C:4]([H:12])=[N:5][C@@:7]2([H:14])[C:6]1([H:8])[H:13],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-5-4-7-6(5)3-1/h1-2,4-6H,3H2/t5-,6-/m0/s1",55.027409999999996,-26.333159999999996,
11119,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@:3]3([H:11])[C@@:6]1([H:13])[C@:7]3([H:14])[N:5]=[C:4]2[H:12],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-3-2-7-6-4(1)5(3)6/h2-6H,1H2/t3-,4-,5+,6-/m0/s1",51.33439,-17.065820000000002,
11120,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]([H:14])[C@:6]1([H:13])[C:7]3,"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-3-2-5-4(1)6(5)7-3/h3-7H,1H2/t3-,4+,5-,6+/m0/s1",53.36914,36.72441,
11121,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]([C@:6]1([H:13])[N:5]2[C:4]([H:12])=[C:2]=[C:3]([H:11])[C@@:7]21[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-5-6-3-2-4-7(5)6/h3-6H,1H3/t5-,6+,7?/m0/s1",87.8821,42.45275,
11122,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([N+:7]#[C-:6])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C6H9N/c1-6(7-2)4-3-5-6/h3-5H2,1H3",58.75639,19.884539999999998,
11123,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:14])([C:5]1([H:15])[H:16])[N:7]([H:13])[C:6]2)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C6H9N/c1-6-2-5(3-6)7-4-6/h5,7H,2-3H2,1H3",106.62957,57.21435,
11124,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]([C:3]([C:4]([C:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C6H9N/c1-3-4-6(2)5-7/h1,6H,3-4H2,2H3/t6-/m1/s1",85.76312,76.70621,
11125,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:5]([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10].[C:3](=[C:4]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C4H5N.C2H4/c1-4(2)3-5;1-2/h1H2,2H3;1-2H2",90.06115,20.03294,
11126,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3][H:12])([C:5]([C:4]([H:11])([H:13])[H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C6H9N/c1-4-6(2,3)5-7/h2H,4H2,1,3H3/t6-/m0/s1",83.42491,79.37849,
11127,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]2([C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]2([H:15])[H:16])/[C:6]1=[N:7]/[H:9],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C6H9N/c7-5-4-6(5)2-1-3-6/h7H,1-4H2/b7-5+",108.13118,38.820859999999996,
11128,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:5]([C:4]([C:6]#[N:7])([H:13])[H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C6H9N/c1-6(2)4-3-5-7/h1,3-4H2,2H3",125.5036,-3.6753400000000003,
11129,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:14])([C:5]([C:4][H:13])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C6H9N/c1-4-6(2,3)5-7/h1H,4H2,2-3H3",85.57711,74.45288000000001,
11130,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:6]#[N:7])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10].[C:3]([H:11])[H:12],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C5H7N.CH2/c1-5(4-6)2-3-5;/h2-3H2,1H3;1H2",117.05542,113.06928,
11131,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:14])([C:5]1([H:15])[H:16])/[C:6]2=[N:7]\[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C6H9N/c1-6-2-4(3-6)5(6)7/h4,7H,2-3H2,1H3/b7-5+",109.96965,35.385709999999996,
11132,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]1[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14].[H:11][H:15],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C4H6.C2H4O.H2/c1-4-2-3-4;1-2-3;/h1-3H2;2H,1H3;1H",83.10506,39.526720000000005,
11133,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:12])([H:8])([H:9])[H:10].[C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:11])([H:13])[H:14],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C4H8.C2H4O/c1-4-2-3-4;1-2-3/h4H,2-3H2,1H3;2H,1H3",86.89211999999999,-0.10822000000000001,
11134,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O+:3][C:4]([C@:5]([C:6]([H:12])([H:16])[H:17])([C-:7]([H:18])[H:19])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,2,5H2,1,3H3/t6-/m0/s1",106.61327,87.32352,
11135,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4]([C:5][C:6]([C:7]([H:15])([H:18])[H:19])([H:16])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-5-6-7-4-2/h3-4,6H2,1-2H3",67.98415,64.58543,
11136,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[O:3]([C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])[H:9],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C4H8O.C2H4/c5-3-4-1-2-4;1-2/h4-5H,1-3H2;1-2H2",67.41725,16.42755,"1,3_Insertion_ROR"
11137,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4](=[C:5]([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[C:7]([H:18])[H:19])([H:16])[H:17],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C4H8O.C2H4/c1-3-5-4-2;1-2/h3H,1,4H2,2H3;1-2H2",98.54794,15.705720000000001,
11138,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:7]([C:6]([C:5](=[C:4]([H:13])[H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-5-6-7-4-2/h3H,1,4-6H2,2H3",83.25926,-3.0737200000000002,
11139,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]([C:6]([C:7]([H:11])([H:18])[H:19])([H:16])[H:17])[H:15])([H:13])[H:14],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3/h3H,1,4H2,2H3;2H,1H3",78.4621,-4.80072,
11140,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[H:9][H:14].[O:3]=[C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])[H:13],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C4H6O.C2H4.H2/c5-3-4-1-2-4;1-2;/h3-4H,1-2H2;1-2H2;1H",75.05939000000001,31.37841,
11141,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:18])([H:8])([H:9])[H:10].[C:5]1([H:15])=[C:7]([H:19])[C:6]1([H:16])[H:17].[O:3]=[C:4]([H:13])[H:14],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C3H4.C2H6.CH2O/c1-2-3-1;2*1-2/h1-2H,3H2;1-2H3;1H2",99.28442,55.89331,
11142,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1=[C:6]=[C:7]([H:15])[O:5][C:4]1([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-2-6-3-4-7-5-6/h4H,2,5H2,1H3",63.95905,13.572170000000002,
11143,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C+:3]1[C:4]([H:13])([H:14])[O:5][C:6]1=[C-:7][H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-3-6-4-7-5(6)2/h2H,3-4H2,1H3",68.83365,53.29393,
11144,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:6]#[C:7][H:15])([H:8])([H:9])[H:10].[C:2](=[C:3]1[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C3H4O.C3H4/c1-3-2-4-3;1-3-2/h1-2H2;1H,2H3",125.70492,25.77732,
11145,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:6]#[C:7][H:15])([H:13])[H:14])=[O:5])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-3-5-6(7)4-2/h1H,4-5H2,2H3",75.36726999999999,-24.20896,
11146,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[C:3]1(=[C:6]=[C:7]([H:10])[H:15])[C:4]([H:13])([H:14])[O:5]1,"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C4H4O.C2H4/c1-2-4-3-5-4;1-2/h1,3H2;1-2H2",64.40743,34.41953,Retroene
11147,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]([H:11])[H:12])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:13])[H:14],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C5H6.CH2O/c1-4-5(2)3;1-2/h1H,2H2,3H3;1H2",89.80552,4.84172,
11148,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:7](=[C:6]=[C:3]1[C:4]([H:13])([H:14])[O:5]1)[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h3H,2,5H2,1H3",105.93688999999999,8.82018,
11149,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[C:3]([C:4]([H:10])([H:13])[H:14])(=[O:5])[C:6]#[C:7][H:15],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C4H4O.C2H4/c1-3-4(2)5;1-2/h1H,2H3;1-2H2",78.17524,0.46653,
11150,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([C:7](=[C:6])[H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h4H,3,5H2,1H3/t6-/m1/s1",57.34424,49.55531,Singlet_Carbene_Intra_Disproportionation
11151,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O+:5][C-:4]([H:13])[H:14])[C:6]#[C:7][H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-4-6(5-2)7-3/h1H,3,5H2,2H3",60.933530000000005,43.09487,
11152,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O+:5]=[C-:4][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-4-6(5-2)7-3/h1,3,6H,5H2,2H3/t6-/m0/s1",81.96919,49.67653,
11153,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1=[C:6]=[C:7]([H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3H,2,5H2,1H3",73.25426999999999,9.83116,
11154,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:6](=[C:3]1\[C:4]([H:13])([H:14])[O:5]1)[C:7][H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-3-5(2)6-4-7-6/h2H,3-4H2,1H3/b6-5+",88.94326,60.01631,
11155,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])([H:9])[C@@:2]([C:7](=[C:6]([H:15])[H:16])[H:17])([H:10])[C@@:3]1([C:4](=[C:5]([H:13])[H:14])[H:12])[H:11],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-3-6-5-7(6)4-2/h3-4,6-7H,1-2,5H2/t6-,7+",81.83895,-14.822370000000001,
11156,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2][C@@:3]1([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C:7]1([H:10])[H:17])[H:11],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-6(3-1)7-4-5-7/h6-7H,1-4H2/t7-/m1/s1",75.58008000000001,60.96232,
11157,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])=[C:2]([H:10])[C@@:7]2([H:17])[C@@:4]([H:12])([C:3]1([H:9])[H:11])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h1-2,6-7H,3-5H2/t6-,7+/m1/s1",63.021409999999996,-35.641040000000004,
11158,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@:3]1([H:11])[C:4]([H:12])=[C:5]1[C:6]([H:15])([H:16])[C@@:7]21[H:17].[H:13][H:14],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H8.H2/c1-4-2-6(4)7-3-5(1)7;/h1,4,6-7H,2-3H2;1H/t4-,6+,7-;/m1./s1",103.87638000000001,41.48411,
11159,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]([C@:3]1([H:11])[C:2][C@@:7]2([H:17])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-5-4-6-2-3-7(5)6/h5-7H,2-3H2,1H3/t5-,6+,7-/m1/s1",67.77537,53.08594,
11160,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@:3]1([H:11])[C:4][C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C:7]2([H:12])[H:17],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-4-7-5-6(7)3-1/h6-7H,1-3,5H2/t6-,7+/m0/s1",67.63719,29.363529999999997,
11161,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C@@:7]2([H:17])[C@@:4]([H:12])([C:3]1)[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h6-7H,1-2,4-5H2/t6-,7+/m1/s1",59.27125,33.55782,
11162,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1](=[C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]1([C:2][H:10])[H:17])[H:11])([H:8])[H:9],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-3-7-5-4-6(7)2/h2-3,6-7H,1,4-5H2/t6-,7+/m1/s1",69.80917,61.70758000000001,
11163,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1](=[C:2]([C@@:3]1([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]12[H:17])[H:10])([H:8])[H:9],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-5-6-3-4-7(5)6/h2,5-7H,1,3-4H2/t5-,6-,7+",68.77468,-11.06034,
11164,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@:3]1([H:11])[C@:4]([C:5]([C:6][H:15])([H:13])[H:14])([H:12])[C:7]2([H:16])[H:17],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-5-3-6-4-7(5)6/h1,5-7H,2-4H2/t5-,6-,7-/m0/s1",77.51879,72.90028000000001,
11165,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])=[C:2]([H:10])[C:3]1([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:9])([H:16])[C:7]1([H:15])[H:17])[H:11],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-6(3-1)7-4-5-7/h4-7H,1-3H2",110.2843,14.190520000000001,
11166,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]([C@@:2]1([H:10])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([C:3][H:11])([H:8])[H:9],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-5-6-3-4-7(5)6/h1,5-7H,2-4H2/t5-,6+,7-",71.4514,71.13512,
11167,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@:3]1([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])=[C:7]21.[H:16][H:17],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H8.H2/c1-2-5-4(1)6-3-7(5)6;/h1,5-7H,2-3H2;1H/t5-,6+,7-;/m0./s1",125.81445,59.34881,
11168,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:17])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C:7]1)[H:11],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-6(3-1)7-4-5-7/h6-7H,1-2,4-5H2/t6-/m0/s1",79.57712,51.99154,
11169,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@:3]1([H:11])[C:4]([H:12])=[C:5]([H:13])[C:6]([H:15])([H:16])[C:7]2.[H:14][H:17],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H8.H2/c1-2-4-7-5-6(7)3-1;/h1,3,6-7H,2,5H2;1H/t6-,7+;/m1./s1",120.04148,54.769569999999995,
11170,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1](=[C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C:7]1=[C:2]([H:10])[H:17])[H:11])([H:8])[H:9],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-3-7-5-4-6(7)2/h3,7H,1-2,4-5H2/t7-/m0/s1",103.93483,-17.8768,
11171,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1](=[C:2]1[N:3]=[C:4]([O:5][H:10])[C-:6]([H:11])[N+:7]1([H:9])[H:12])[H:8],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1H,5H2,(H2,4,6,7)",69.9293,38.908229999999996,
11172,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]([N:3]=[C:4]=[C:6]([O:5][H:10])[H:11])=[N:7][H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3(5)6-1-2-7/h2,7H,(H3,4,5)",98.82545999999999,46.41442,
11173,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]1=[N+:3]=[C-:4][C@:6]([O:5][H:10])([H:11])[N:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h2,6-7H,4H2/t2-/m1/s1",95.37476,58.072559999999996,
11174,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]1=[N:3][C@@:4]([O:5][H:10])([H:11])[C-:6]=[N+:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h2,5,7H,(H2,4,6)/t2-/m1/s1",59.42331,52.74279,Singlet_Carbene_Intra_Disproportionation
11175,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]#[N+:3][C-:4]([O:5][H:10])/[C:6](=[N:7]/[H:12])[H:11])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-1-3(7)6-2-5/h1,4,7H,5H2/b4-1+",55.70468,50.63262,
11176,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N+:1]([c-:2]1[n-:3][c+:4]([O:5][H:10])[c:6]([H:11])[n:7]1)([H:8])([H:9])[H:12],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,4H3",53.55053,38.86636,
11177,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]([N+:3]#[C:4][O:5][H:10])[N:7]([C-:6][H:11])[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H4N3O/c1-5-3(4)6-2-7/h1H,(H3,4,5,6)/q-1/p+1",102.28515,103.44776,
11178,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N+:1](=[c:2]1[n:3]([H:10])[c:4]([O-:5])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)",46.6842,15.475129999999998,
11179,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1](=[c:2]1/[n:3]([H:8])[c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])\[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)",57.21911,15.84389,
11180,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]1=[N:3][C:4](=[O:5])[C:6]([H:10])([H:11])[N:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1H2,(H3,4,5,6,7)",57.82923,-9.37642,ketoenol
11181,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[C:4]([O:5][H:10])/[C:6](=[N:7]/[H:12])[H:11].[N:1]([C:2]#[N:3])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C2H3NO.CH2N2/c3-1-2-4;2-1-3/h1,3-4H;2H2/b3-1+;",98.11314,94.56191,
11182,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1](=[C:2]1[N:3]=[C:4]([O:5][H:10])[C:6]([H:9])([H:11])[N:7]1[H:12])[H:8],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1H2,(H3,4,5,6,7)",90.40674,2.16208,
11183,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C@@:2]1([H:12])[N:3]=[C:4]([O:5][H:10])[C:6]([H:11])=[N:7]1)([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,3H,4H2,(H,6,7)/t3-/m1/s1",47.80823,16.42996,
11184,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]1=[N:3][C:4]([O:5][H:10])=[C-:6][N+:7]1([H:11])[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h7H,5H2,(H2,4,6)",91.14546,84.7354,
11185,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]=1[N:3]=[C:4]([O:5][H:10])[C:6]([H:11])([H:12])[N:7]1)([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1H2,(H3,4,5,6,7)",41.55518,-1.80814,
11186,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]1([C:5]([C:6][O:7][H:15])([H:13])[H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-5(7-4)2-3-6/h4-6H,2H2,1H3/t4-,5+/m1/s1",59.73496,31.397240000000004,
11187,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O+:3]=[C-:4][C:5]([H:13])([H:14])[C@:6]1([O:7][H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4-6H,2H2,1H3/t4-,5-/m1/s1",54.93196999999999,7.117310000000001,
11188,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O+:3]=[C-:4][H:12])([C:6](=[C:5]([H:13])[H:14])[O:7][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4(6)5(2)7-3/h3,5-6H,1H2,2H3/t5-/m1/s1",54.37923000000001,31.40915,
11189,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:6]1([O:7][H:15])[C:4][C:5]1([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h4,6-7H,2H2,1H3/t4-,5+/m1/s1",72.26872,59.9145,
11190,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])=[C:5]([H:13])[C@@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h2-6H,1H3/t4-,5+/m1/s1",64.06278,-33.655840000000005,
11191,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:6](/[C:5]([C:4](=[O:3])[H:12])([H:13])[H:14])[O:7][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h2,4,7H,3H2,1H3/b5-2-",44.09458,-35.41992,
11192,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O+:3]=[C-:4][C@:6]1([C:5]([H:12])([H:13])[H:14])[O:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-5(2,6)3-7-4/h4,6H,1-2H3/t4-,5+/m1/s1",51.792790000000004,24.48743,
11193,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])([H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6/h5H,2-3H2,1H3/t5-/m0/s1",81.8249,-0.14553,
11194,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]([C:5][H:13])([H:12])[C@@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-3-5(6)4(2)7-3/h1,3-6H,2H3/t3-,4+,5-/m0/s1",64.06596,61.5876,
11195,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:5]([H:13])([H:14])[C@@:6]1([C:4](=[O:3])[H:12])[O:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(4,7)3-6/h3-4,7H,2H2,1H3/t4-,5-/m0/s1",65.67643000000001,-27.313470000000002,
11196,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]1[O:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h2,4,6H,3H2,1H3/t4-/m1/s1",59.6667,-32.30311,
11197,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:6]1([O:7][H:15])[C@:4]([O:3][H:8])([H:12])[C:5]1([H:13])[H:14])[H:11])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-2-5(7)3-4(5)6/h2,4,6-7H,1,3H2/t4-,5-/m0/s1",61.8962,-11.14526,
11198,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4](=[C:5]([H:13])[H:14])[H:12])([C:6][O:7][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-3-7-5(2)4-6/h3,5-6H,1H2,2H3/t5-/m1/s1",50.17579,28.542890000000003,
11199,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C@@:4]1([H:12])[C:5]([H:14])=[C:6]1[O:7][H:15])[H:11])([H:9])[H:10].[H:8][H:13],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2.H2/c1-2-7-5-3-4(5)6;/h2-3,5-6H,1H2;1H/t5-;/m0./s1",96.41391,42.33382,
11200,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]([C:5]([O:7][H:15])([H:13])[H:14])([H:12])[C:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(3-6)7-4/h4-6H,3H2,1H3/t4-,5-/m1/s1",136.90781,58.51908,
11201,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:11])([H:9])[H:10].[H:8][H:15],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2.H2/c1-2-7-5-3-4(5)6;/h2,5H,1,3H2;1H/t5-;/m0./s1",93.08195,28.9613,
11202,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[H:8][H:10].[N:1]#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H5N.H2/c7-5-6-3-1-2-4-6;/h1-3H,4H2;1H",103.67568,21.383129999999998,
11203,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1](=[C:2]=[C:3]1[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14])[H:8],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,7H,3-4H2",92.49025,23.778170000000003,
11204,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1]1=[C:2]=[C:3]([H:8])[C:7]([H:13])([H:14])[C@@:6]1([C:5](=[C:4]([H:9])[H:10])[H:11])[H:12],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c1-2-6-4-3-5-7-6/h2-3,6H,1,4H2/t6-/m0/s1",102.81328,95.53428000000001,
11205,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1]#[C:2][C:3]([C:4]([C:5](=[C:6]=[C:7]([H:13])[H:14])[H:11])([H:9])[H:10])([H:8])[H:12],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c1-2-3-4-5-6-7/h3H,1,4-5H2",133.17842,25.13317,
11206,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1](=[C:2]1/[C@:3]2([H:8])[C:4]([H:9])([H:10])[C@@:5]1([H:11])[C:6][C:7]2([H:13])[H:14])\[H:12],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c7-6-4-1-2-5(6)3-4/h4-5,7H,1,3H2/b7-6-/t4-,5+/m0/s1",123.83081999999999,97.52471,
11207,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1](=[C:2]1/[C@:3]2([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C@:7]12[H:14])\[H:13],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c7-6-4-2-1-3-5(4)6/h1-2,4-5,7H,3H2/b7-6+/t4-,5+/m0/s1",102.0967,35.86721,
11208,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[H:9][H:13].[N:1]#[C:2][C:3]1([H:8])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])=[C:7]1[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H5N.H2/c7-5-6-3-1-2-4-6;/h1-4,6H;1H",63.4035,28.3115,
11209,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[C:3]1([H:8])=[C:4]([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14].[N:1](=[C:2])[H:9],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C5H6.CHN/c1-2-4-5-3-1;1-2/h1-4H,5H2;2H",88.74728,39.19167,
11210,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1]#[C:2][C@:3]1([H:8])[C@:6]([C:5](=[C:4]([H:9])[H:10])[H:11])([H:12])[C:7]1([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c1-2-5-3-6(5)4-7/h2,5-6H,1,3H2/t5-,6+/m0/s1",79.78514,21.549020000000002,
11211,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1]#[C:2][C@:3]1([H:8])[C:4]([H:9])([H:10])[C:5][C:6]([H:11])([H:12])[C:7]1([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h6H,1,3-4H2/t6-/m0/s1",68.29099000000001,67.05943,Singlet_Carbene_Intra_Disproportionation
11212,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1]1=[C:2]2[C@@:3]3([H:8])[C:4]([H:9])([H:10])[C@@:6]([H:12])([C@@:5]12[H:11])[C:7]3([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c1-3-2-4(1)6-5(3)7-6/h3-5H,1-2H2/t3-,4+,5-/m1/s1",122.85658000000001,94.33022,
11213,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N+:1]1=[C-:2][C@:3]2([H:8])[C:4]([H:9])([H:10])[C@:6]([H:12])([C:5]=1[H:11])[C:7]2([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c1-5-2-6(1)4-7-3-5/h3,5-6H,1-2H2/t5-,6+",123.01915,90.99627,
11214,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N+:1](#[C-:2])[C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c1-7-6-4-2-3-5-6/h2-3,6H,4-5H2",60.32232,22.0203,
11215,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:6](=[C:5]([H:11])[H:12])[C:7]1([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c1-5-2-6(3-5)4-7/h6H,1-3H2",95.45409000000001,18.90602,
11216,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1]#[C:2][C:3]([C:4](/[C:5](=[C:6](\[C:7][H:14])[H:12])[H:11])([H:9])[H:10])([H:8])[H:13],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c1-2-3-4-5-6-7/h1-3H,4-5H2/b3-2-",93.10880999999999,89.01553,
11217,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[H:8][H:12].[N:1]#[C:2][O:3][C@@:4]1([H:9])[C:5]([H:10])([H:11])[C:6]([H:13])=[C:7]1[H:14],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H5NO.H2/c6-4-7-5-2-1-3-5;/h1-2,5H,3H2;1H/t5-;/m1./s1",98.76991,35.245540000000005,
11218,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O+:3]=[C-:4][C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C:7]1([H:9])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c6-5-3-1-2-4-7-5/h6H,1-3H2/b6-5-",69.43316999999999,28.12163,
11219,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[H:9][H:13].[N:1](=[C:2]1\[O+:3]=[C-:4][C:5]([H:10])([H:11])[C:6]([H:12])=[C:7]1[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H5NO.H2/c6-5-3-1-2-4-7-5;/h1,3,6H,2H2;1H/b6-5-;",115.88773,53.52973000000001,
11220,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]([C:2]1=[O+:3][C-:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])[H:9],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3H,1-2,6H2/t3-/m1/s1",96.8102,58.4206,
11221,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[C:4]1([H:9])=[C:7]([H:14])[C:6]([H:12])([H:13])[C:5]1([H:10])[H:11].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C4H6.CHNO/c1-2-4-3-1;2-1-3/h1-2H,3-4H2;2H",51.40894,-4.07267,2+2_cycloaddition
11222,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C@:4]([C:5]([H:10])([H:11])[H:13])([H:9])[C@:7]1([C:6][H:12])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-3-4(2)7-5(3)6/h1,3-4,6H,2H3/b6-5-/t3-,4+/m1/s1",82.21631,69.15738,
11223,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[H:8][H:14].[N:1]#[C:2][C@:7]12[O:3][C@@:4]1([H:9])[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H5NO.H2/c6-3-5-2-1-4(5)7-5;/h4H,1-2H2;1H/t4-,5-;/m0./s1",123.73222,31.504640000000002,
11224,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2])[H:8].[O:3]1[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C4H6O.CHN/c1-2-4-3(1)5-4;1-2/h3-4H,1-2H2;2H/t3-,4+;",101.68375,44.61121,
11225,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]=[C:7]([C@@:4]1([H:9])[O:3][C:6]([H:12])([H:13])[C:5]1([H:10])[H:11])[H:14])[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c6-3-1-5-2-4-7-5/h1,5-6H,2,4H2/t5-/m1/s1",104.62259,17.82125,
11226,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]([C:2]1=[C:7]2[C@@:4]([H:9])([O:3]1)[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13])([H:8])[H:14],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h4H,1-2,6H2/t4-/m0/s1",85.57967,37.31667,
11227,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C@:7]1([C:6]([C:5]([C:4][H:9])([H:10])[H:11])([H:12])[H:13])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-2-3-4-5(6)7-4/h1,4,6H,2-3H2/b6-5-/t4-/m0/s1",109.84843000000001,88.10493000000001,
11228,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C@:4]([C:5]([C:6][H:12])([H:10])[H:11])([H:9])[C:7]1([H:13])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-2-4-3-5(6)7-4/h1,4,6H,2-3H2/b6-5-/t4-/m0/s1",83.60128,73.01643,
11229,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]1([H:8])[C:2]2=[C:7]([H:14])[C@@:4]([H:9])([O:3]2)[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-2-6-5-3-4(1)7-5/h3-4,6H,1-2H2/t4-/m0/s1",104.2343,54.953509999999994,
11230,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2](/[O+:3]=[C-:4][H:9])[C:7]1([H:14])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-7-5(6)4-2-3-4/h1,4,6H,2-3H2/b6-5+",91.97187,60.06556,
11231,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:14])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C:7]1)\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c6-5-3-1-2-4-7-5/h6H,1-2,4H2/b6-5-",70.82455999999999,55.807019999999994,
11232,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2](=[O:3])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H5NO.CH4/c1-4(2-5)3-6;/h3-4H,1H3;1H4/t4-;/m0./s1",83.63696999999999,10.921389999999999,
11233,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])[H:9].[O:3]([H:10])[H:12],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H7N.H2O/c1-3-5(2)4-6;/h3,5H,1H2,2H3;1H2/t5-;/m1./s1",68.8276,15.66182,"1,3_Insertion_ROR"
11234,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]([O:3][H:12])[C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H5NO.CH4/c1-4(2-5)3-6;/h4,6H,1H3;1H4/t4-;/m0./s1",88.37845,68.3486,
11235,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:14])[H:15])([C:6]#[N:7])[H:13].[H:12][H:16],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C3H3N.C2H4O.H2/c1-2-3-4;1-2-3;/h2H,1H2;2H,1H3;1H",81.93511,42.30873,
11236,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@:2]([O:3][H:12])([H:11])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C:6][N:7]1[H:8],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H9NO/c1-4-2-6-3-5(4)7/h4-7H,3H2,1H3/t4-,5+/m0/s1",102.00554,46.6348,
11237,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:12])=[C:4](/[C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H7NO.H2/c1-4(3-6)5(2)7;/h7H,1-2H3;1H/b5-4+;",96.87865,18.69359,
11238,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:4]([C:2](=[O:3])[H:11])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H7NO.H2/c1-5(2,3-6)4-7;/h4H,1-2H3;1H",102.5424,21.89844,
11239,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](\[C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10].[O:3]([C:5]([H:14])([H:15])[H:16])[H:12],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H5N.CH4O/c1-2-3-4-5;1-2/h2-3H,1H3;2H,1H3/b3-2-;",98.21132,24.09526,"1,3_Insertion_ROR"
11240,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:12])[H:11])([H:8])[H:9].[C:4]([C:5]([H:14])([H:15])[H:16])(=[C:6]=[N:7][H:10])[H:13],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C3H5N.C2H4O/c1-2-3-4;1-2-3/h2,4H,1H3;2-3H,1H2",64.39874,43.59581,Retroene
11241,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](/[C:5]([H:14])([H:15])[H:16])[H:13])[H:11])([H:8])([H:9])[H:10].[O:3]([N+:7]#[C-:6])[H:12],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H8.CHNO/c1-3-4-2;1-2-3/h3-4H,1-2H3;3H/b4-3+;",112.87088999999999,89.31626,
11242,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([N+:7]#[C-:6])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H9NO/c1-4(6-3)5(2)7/h4-5,7H,1-2H3/t4-,5-/m1/s1",59.184180000000005,21.28029,
11243,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3]/[C:6](=[N:7]\[H:12])[C@@:4]1([C:5]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H9NO/c1-3-4(2)7-5(3)6/h3-4,6H,1-2H3/b6-5-/t3-,4-/m1/s1",72.37867,8.30609,
11244,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@:2]([O:3][H:12])([H:11])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])/[C:6]1=[N:7]/[H:8],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H9NO/c1-3-4(6)2-5(3)7/h3,5-7H,2H2,1H3/b6-4+/t3-,5+/m0/s1",100.80632,21.25473,
11245,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:12])=[C:4](/[C:5]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10].[C:6]=[N:7][H:11],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H8O.CHN/c1-3-4(2)5;1-2/h3,5H,1-2H3;2H/b4-3-;",102.07204,38.03648,
11246,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H7NO.H2/c1-4(3-6)5(2)7;/h4H,1-2H3;1H/t4-;/m0./s1",82.91749,15.30536,
11247,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2][O:3][H:12])([H:8])([H:9])[H:10].[C:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])([H:11])[H:13],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C3H5N.C2H4O/c1-2-3-4;1-2-3/h2H2,1H3;3H,1H3",76.60801,61.378569999999996,
11248,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](\[C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])[H:11])([H:8])([H:9])[H:10].[O:3]([H:12])[H:13],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H7N.H2O/c1-3-5(2)4-6;/h3H,1-2H3;1H2/b5-3+;",60.48412,9.21808,"1,3_Insertion_ROR"
11249,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([c:2]1[o:3][c:4]([O:5][H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-3,6H,1H3",107.18453000000001,10.11171,
11250,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7](/[C@@:6]1([H:12])[C:4](=[O:3])[O:5]1)[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-2-3-4-5(6)7-4/h2-4H,1H3/b3-2+/t4-/m0/s1",63.06285,36.64951,
11251,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([O:5][H:12])=[C:6]=[C:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2,4,6H,1H3/t4-/m1/s1",78.47593,59.2231,ketoenol
11252,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])([H:13])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h4H,3H2,1H3/t4-/m1/s1",71.34924000000001,70.22052,Singlet_Carbene_Intra_Disproportionation
11253,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:7]([C:6](=[C:4]=[O:5])[H:12])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-5(7)3-2-4-6/h2H,3H2,1H3",46.05559,16.95962,
11254,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:7]1([C:6](=[C:4]=[O:5])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-4-5(7-4)2-3-6/h2,4-5H,1H3/t4-,5+/m1/s1",75.24343,42.96297,
11255,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:11])=[C:7](/[C:6](=[C:4]=[O:5])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-5(7)3-2-4-6/h2-3,7H,1H3/b5-3-",73.07945,25.026889999999998,
11256,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([C:7]#[C:6][H:12])([H:11])[H:13])([H:8])([H:9])[H:10].[O:3]=[C:4]=[O:5],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C4H6.CO2/c1-3-4-2;2-1-3/h1H,4H2,2H3;",92.37873,16.17269,
11257,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:3]/[C:2](=[C:7](\[C:6](=[C:4]=[O:5])[H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-7-5-3-2-4-6/h2-3,5H,1H3/b5-3-",100.37252,40.07405,
11258,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O+:3]=[C-:4][C@@:6]2([H:12])[O:5][C@@:7]12[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-5-4(7-5)2-6-3/h3-5H,1H3/t3-,4-,5+/m1/s1",124.8636,88.81127,
11259,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]#[C:7]1)([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H4O2.H2/c1-4-2-3-5(6)7-4;/h4H,1H3;1H/t4-;/m1./s1",122.84218999999999,119.0918,
11260,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4](=[O:5])[C:6](=[C:7])[H:12])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-5(6)7-4-2/h3H,4H2,2H3",85.76173,86.46249,
11261,[C:1]([C:2](=[O:3])[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([O+:3]=[C-:2][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3","InChI=1S/C5H10O2/c1-5(2,6)4-7-3/h6H,1-3H3",113.23623,67.8897,
11262,[C:1]([C:2](=[O:3])[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4](=[C:5]([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10].[O:7]([H:11])[H:17],"InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3","InChI=1S/C5H8O.H2O/c1-4(2)5(3)6;/h1H2,2-3H3;1H2",67.42477,14.525929999999999,"1,3_Insertion_ROR"
11263,[C:1]([C:2](=[O:3])[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:15])([H:8])([H:9])[H:10].[C:4]([C:5]([H:11])([H:12])[H:13])(=[C:6]([H:14])[H:16])[O:7][H:17],"InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3","InChI=1S/C3H6O.C2H4O/c1-3(2)4;1-2-3/h4H,1H2,2H3;2H,1H3",78.23134,24.65633,
11264,[C:1]([C:2](=[O:3])[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:3][H:17])[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3","InChI=1S/C5H10O2/c1-4(2)5(3,6)7-4/h6H,1-3H3/t5-/m1/s1",51.66147,17.828329999999998,
11265,[C:1]([C:2](=[O:3])[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:8])[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3","InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h6-7H,1H2,2-3H3",66.59209,13.81505,ketoenol
11266,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O:1]=[C:2]=[C:3]1[N:4]=[C:5]([H:9])[C:6]([H:8])([H:10])[O:7]1,InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1H,2H2",84.30161,33.81297,
11267,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O:1]=[C:2]([C:3]1=[N:4][C:5]([H:9])([H:10])[C-:6]=[O+:7]1)[H:8],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h3H,1H2",68.17336999999999,58.6734,Singlet_Carbene_Intra_Disproportionation
11268,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O:1]([C+:2]=[C:3]1[N-:4][C:5]([H:9])=[C:6]([H:10])[O:7]1)[H:8],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-2,6H",82.13073,50.494040000000005,
11269,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:9])=[C:6]1[H:10])=[O:7])[H:8],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,InChI=1S/C4H3NO2/c6-3-4(7)5-1-2-5/h1-3H,93.57117,78.29979,ketoenol
11270,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O+:1](=[C-:2][H:8])[c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1,InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,InChI=1S/C4H3NO2/c1-6-4-5-2-3-7-4/h1-3H,97.38941,71.51272,
11271,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O:1]1[C:2]([H:8])=[N:4][C:5]([H:9])=[C:6]([H:10])[O+:7]=[C-:3]1,InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,InChI=1S/C4H3NO2/c1-2-6-4-7-3-5-1/h1-3H,98.99446999999999,68.78771,
11272,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O-:1][C:2](=[C:3]=[N:4][C:5](=[C+:6][O:7][H:10])[H:9])[H:8],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-1-5-2-4-7/h1,4H,(H-,6,7)",92.89504000000001,92.2319,
11273,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O-:1][N:4]1[C:3](=[C+:2][H:8])[O:7][C:6]([H:10])=[C:5]1[H:9],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,InChI=1S/C4H3NO2/c1-4-5(6)2-3-7-4/h1-3H,142.8289,115.89681000000002,
11274,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O:1]=[c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1,InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,InChI=1S/C4H3NO2/c6-4-3-5-1-2-7-4/h1-3H,72.04552,-0.46613999999999994,
11275,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O-:1][C:2](=[C:3]1[N:4]([H:9])[C+:5]=[C:6]([H:10])[O:7]1)[H:8],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h2-3,5H",89.54186999999999,52.593059999999994,
11276,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O-:1][C:2](=[C:3]1[N+:4]#[C:5][C:6]([H:9])([H:10])[O:7]1)[H:8],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h3H,2H2",77.50864,67.79316,Singlet_Carbene_Intra_Disproportionation
11277,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O:1]=[C:2]([C:3]([N:4]=[C:5]=[C:6]([H:9])[H:10])=[O:7])[H:8],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C4H3NO2/c1-2-5-4(7)3-6/h3H,1H2",85.60223,27.488390000000003,
11278,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O:1]=[C:2]([O:7]/[C:6](=[C:5](\[N+:4]#[C-:3])[H:9])[H:10])[H:8],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,InChI=1S/C4H3NO2/c1-5-2-3-7-4-6/h2-4H/b3-2-,70.83788,29.446759999999998,
11279,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O:1]([C:2](=[C:3]1[N-:4][C:5]([H:9])=[C:6]=[O+:7]1)[H:8])[H:10],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1,3,6H",128.07512,59.366530000000004,
11280,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O:1]=[C:2]([C:5]([N+:4]#[C-:3])([C:6](=[O:7])[H:10])[H:9])[H:8],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,InChI=1S/C4H3NO2/c1-5-4(2-6)3-7/h2-4H,93.35851,30.97815,
11281,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O+:1]#[C-:2].[c-:3]1[n:4]([H:8])[c:5]([H:9])[c:6]([H:10])[o+:7]1,InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C3H3NO.CO/c1-2-5-3-4-1;1-2/h1-2,4H;",63.783409999999996,29.624979999999997,
11282,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4](=[N:5][H:13])[N+:7]#[C-:6])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-3-7-4(5)6-2/h5H,3H2,1H3",50.21201,17.214370000000002,
11283,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([N:5]([C:4]([O+:3]=[C:2]([H:11])[H:12])=[C:6]=[N-:7])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-6-4(3-5)7-2/h6H,2H2,1H3",126.75981000000002,68.56658,
11284,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O+:3]=[C-:4][N:5]([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-2-7-4-6-3-5/h6H,2H2,1H3",82.39611,44.13627,
11285,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([N-:5][H:13])=[C+:6][N:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-3-6-2-4(5)7-3/h3,5-6H,1H3/t3-/m1/s1",86.61318,30.80439,
11286,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]([H:11])([H:12])[O:3][C:4](=[N:5]/[H:13])/[C:6]1=[N:7]/[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c5-3-1-2-7-4(3)6/h5-6H,1-2H2/b5-3+,6-4+",91.49858,-1.8306099999999998,
11287,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:6]1=[N:7][C:2]([H:11])([H:12])[O:3]/[C:4]1=[N:5]/[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-3-4(5)7-2-6-3/h5H,2H2,1H3/b5-4+",108.66023,-8.24881,
11288,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4](=[N:5]/[H:13])/[C:6]1=[N:7]/[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-2-3(5)4(6)7-2/h2,5-6H,1H3/b5-3+,6-4+/t2-/m1/s1",95.28961,11.85085,
11289,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O+:3]=[C-:4][N:5]([N+:7]#[C-:6])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-3-7-4-6-5-2/h6H,3H2,1H3",112.33081000000001,88.01235,
11290,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O+:3][C:4]([N:5]([H:11])[H:13])=[C:6]=[N-:7])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h2H,6H2,1H3",58.244640000000004,53.943659999999994,
11291,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2](=[O:3])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17].[H:10][H:11],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H8O.H2/c7-6-4-2-1-3-5-6;/h1-2H,3-5H2;1H",104.69659,13.610970000000002,
11292,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]([O:3][H:11])([C:4]([C:5](=[C:6]=[C:7]([H:16])[H:17])[H:14])([H:12])[H:13])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H10O/c1-3-4-5-6(2)7/h4,6-7H,1,5H2,2H3/t6-/m0/s1",133.33992,27.26575,
11293,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([O:3][H:11])[C:4]([H:13])=[C:5]([H:14])[C:6]([H:15])=[C:7]1[H:16])([H:8])([H:9])[H:10].[H:12][H:17],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H8O.H2/c1-6(7)4-2-3-5-6;/h2-5,7H,1H3;1H",66.69908000000001,30.84425,
11294,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C+:5]([H:14])[C:6]([H:15])=[C-:7]1)([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H8O.H2/c1-6(7)4-2-3-5-6;/h2-3,7H,4H2,1H3;1H/t6-;/m0./s1",95.9944,90.52858,
11295,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:7]([C:6]([C:5](=[C:4]([H:12])[H:13])[H:14])([H:11])[H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3",62.84194,3.63398,
11296,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([O:3][H:11])([H:8])([H:9])[H:10].[C:2]1[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C5H6.CH4O/c1-2-4-5-3-1;1-2/h1-2H,3-4H2;2H,1H3",128.73944,96.33894000000001,
11297,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5][C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h7H,2,4-5H2,1H3/t6-/m1/s1",69.13503,68.31736,Singlet_Carbene_Intra_Disproportionation
11298,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])/[C:7](=[C:6](\[C:5](=[C:4]([H:12])[H:13])[H:14])[H:15])[H:17])([H:8])([H:9])[H:10].[H:11][H:16],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H8O.H2/c1-3-4-5-6(2)7;/h3-5H,1H2,2H3;1H/b5-4-;",95.86959,34.323640000000005,
11299,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[C@:6]1([H:15])[C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H10O/c1-6(7)3-4-2-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6-/m0/s1",113.63757,27.2701,
11300,[O:1]([C:2]([C:3]([O:4][C:5]([C:6]#[C:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6][C:7]1([H:8])[H:15],"InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2",InChI=1S/C5H8O2/c1-2-6-4-5-7-3-1/h2-5H2,75.16011999999999,44.06653,
11301,[O:1]([C:2]([C:3]([O:4][C:5]([C:6]#[C:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[C:5](=[C:6]=[C:7]([H:12])[H:15])([H:13])[H:14].[O:1]([C:2]([C:3](=[O:4])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2","InChI=1S/C3H4.C2H4O2/c1-3-2;3-1-2-4/h1-2H2;1,4H,2H2",45.36011,-0.78304,Retroene
11302,[O:1]([C:2]([C:3]([O:4][C:5]([C:6]#[C:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([O:4][C:5]([C:7](=[C:6])[H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2","InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h2,6H,3-5H2",58.225809999999996,48.16932,Singlet_Carbene_Intra_Disproportionation
11303,[O:1]([C:2]([C:3]([O:4][C:5]([C:6]#[C:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([O:4]/[C:5](=[C:6](\[C:7][H:15])[H:14])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2","InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1-2,4,6H,3,5H2/b4-2-",68.16413,47.50137,
11304,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1](=[C:2]1[C:3]([H:9])=[C:4]([H:10])[C:5]([H:11])=[N+:6]1[O-:7])[H:8],"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-2-1-3-6(4)7/h1-3,5H",48.97909,15.159970000000001,
11305,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1]1([H:8])[C-:2]=[O+:7][N:6]=[C:5]([H:11])[C:4]([H:10])=[C:3]1[H:9],"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c1-2-5-4-7-6-3-1/h1-3,5H",76.6051,71.66111,
11306,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1](=[C:2]=[C:3]([C:4](=[C:5]([N:6]=[O:7])[H:11])[H:10])[H:9])[H:8],"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-3-1-2-4-6-7/h1-2,4-5H",50.65892,37.91108,
11307,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1]([C:2]1=[O+:7][N-:6][C:5]([H:11])=[C:4]=[C:3]1[H:9])([H:8])[H:10],"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h2-3H,5H2",128.02665,44.61735,
11308,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1]1([H:8])[C-:2]=[C:3]([H:9])[C+:4]([H:10])[C@:5]1([N:6]=[O:7])[H:11],"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c7-6-4-2-1-3-5-4/h1-2,4-5H/t4-/m1/s1",89.20909,61.837869999999995,
11309,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1]([C:2]1=[C:3]=[C:4]([H:10])[C:5]([H:11])=[N:6][O:7]1)([H:8])[H:9],"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1,3H,5H2",60.15726,37.33559,
11310,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C+:4]=[C:5]([H:11])[N-:6][O:7]1)\[H:8],"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h3,5H,2H2/b5-4-",79.13490999999999,78.02835,Singlet_Carbene_Intra_Disproportionation
11311,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1](=[C:2]1/[C@:3]2([H:9])[C:4]([H:10])=[C:5]([H:11])[N:6]2[O:7]1)\[H:8],"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-3-1-2-6(3)7-4/h1-3,5H/b5-4-/t3-/m0/s1",78.55433000000001,45.29995,
11312,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C-:6]=[N:7][H:11])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4,6-7H,1-2H3/t4-,6-/m1/s1",134.61883999999998,87.93325,
11313,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:9])([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]([H:16])=[C:6]=[N:7]1,"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C6H9N/c1-6-2-4-7-5-3-6/h2,6H,3,5H2,1H3/t6-/m0/s1",82.76531,41.199659999999994,
11314,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C@:5]1([H:16])[C:6]([H:9])=[N:7]1)[H:12])[H:11])([H:8])[H:10],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C6H9N/c1-3-5(2)6-4-7-6/h3-6H,1H2,2H3/t5-,6+/m1/s1",91.74382,42.94733,
11315,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[C:4]([H:13])[H:15])[H:12])([C:5](=[C:6]=[N:7][H:14])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C6H9N/c1-3-6(2)4-5-7/h3-4,6-7H,1H2,2H3/t6-/m0/s1",53.42193,23.38982,
11316,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])/[C:6](=[N:7]\[H:15])[C@@:5]12[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C6H9N/c1-3-4-2-5(7)6(3)4/h3-4,6-7H,2H2,1H3/b7-5+/t3-,4+,6-/m0/s1",101.90529000000001,24.28773,
11317,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10].[C:4]([H:11])([H:13])([H:14])[H:15],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C5H5N.CH4/c1-4-2-5(4)3-6;/h2,5H,1H3;1H4/t5-;/m0./s1",121.4037,38.28063,
11318,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:5](\[C:6]#[N:7])[H:16])[H:11])([H:8])([H:9])[H:10].[C:3](=[C:4]([H:13])[H:15])([H:12])[H:14],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C4H5N.C2H4/c1-2-3-4-5;1-2/h2-3H,1H3;1-2H2/b3-2-;",82.83755,18.53506,
11319,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:5]([C:3][C:4]([H:13])([H:14])[H:15])([C:6]#[N:7])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C6H9N/c1-3-6(4-2)5-7/h6H,3H2,1-2H3/t6-/m0/s1",71.09447,67.37093,
11320,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([N+:7]#[C-:6])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C6H9N/c1-4-5(2)6(4)7-3/h4-6H,1-2H3/t4-,5+,6-",62.491730000000004,23.97571,
11321,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:14])[C@:5]1([C:6]1=[N:7][C:4]1([H:13])[H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C6H9N/c1-4-2-5(4)6-3-7-6/h4-5H,2-3H2,1H3/t4-,5+/m0/s1",107.76576999999999,39.72703,
11322,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4]([H:13])([H:14])[H:15])([H:12])[H:16])([C+:5]=[C:6]=[N-:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C6H9N/c1-3-6(2)4-5-7/h6H,3H2,1-2H3/t6-/m0/s1",67.15105,68.10918000000001,
11323,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],[C:1]([O+:5]=[C:4]([C:3]#[C-:2])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2H,1H3","InChI=1S/C6H4O/c1-4-6(5-2)7-3/h1H,3H3",116.46181999999999,61.16242,
11324,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2H,1H3","InChI=1S/C6H4O/c1-3-6(2)4-5-7/h1H,2H3",77.39737,-2.09401,
11325,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C+:3]=[C:4]([O-:5])[C:6]#[C:7][H:11])[H:9])([H:8])[H:10],"InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2H,1H3","InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2-3H,1H2",73.41651999999999,51.535109999999996,
11326,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]([C:4](=[O:5])[C:6]#[C:7][H:11])[H:9])([H:8])[H:10],"InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2H,1H3","InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2,5H,1H2",82.76418000000001,-2.8974,
11327,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]=[C:4]([O:5][H:9])[C:6]#[C:7][H:11])([H:8])[H:10],"InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2H,1H3","InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2,7H,1H2",60.01954,15.88921,
11328,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3])[C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2H,1H3","InChI=1S/C6H4O/c1-4-6(7)5(2)3/h1H,2H3",53.95775,49.593090000000004,
11329,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4](=[O:5])[C:7](=[C:6])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2H,1H3","InChI=1S/C6H4O/c1-3-5-6(7)4-2/h4H,1H3",51.536120000000004,45.284420000000004,Singlet_Carbene_Intra_Disproportionation
11330,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]=[C:4]=[O:5])([H:8])[H:10].[C:6](#[C:7][H:11])[H:9],"InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2H,1H3",InChI=1S/C4H2O.C2H2/c1-2-3-4-5;1-2/h1H2;1-2H,72.30653000000001,26.96221,
11331,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:6]1([H:15])[C+:5]([H:14])[C:3]([C:4]([H:11])([H:12])[H:13])=[C-:2][N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3,6-7H,1-2H3/t6-/m0/s1",147.708,51.112320000000004,
11332,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([C+:4]([H:11])[H:12])[C:5]([H:13])([H:14])[C-:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h4,7H,1,3H2,2H3",93.71815,56.51286999999999,
11333,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]([C:4]([H:11])([H:12])[H:13])=[C:5]=[C:6]([H:14])[H:15])=[N:7]\[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-4-5(2)6(3)7/h7H,1H2,2-3H3/b7-6+",69.7682,42.794470000000004,
11334,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:5](/[C:6](=[N:7]/[H:16])[H:15])[H:14])[C:4]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-6(2)4-3-5-7/h3,5,7H,1-2H3/b7-5+",108.84213999999999,43.83047,
11335,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C:6]([H:15])=[C:5]([H:14])[C:3]1=[C:4]([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-4-7-6(5)2;/h3-4H,1H2,2H3;1H",115.7415,43.0937,
11336,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([C:4]([H:11])([H:12])[H:13])=[C:5]([H:14])[C:6]([H:15])=[N:7]1)([H:8])[H:10].[H:9][H:16],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-4-7-6(5)2;/h3-4H,2H2,1H3;1H",96.58805,41.13498,
11337,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:4]([H:11])([H:12])[H:13])[C-:3]=[C:5]([H:14])[C+:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-6(2)4-3-5-7-6/h3,5,7H,1-2H3",87.04196999999999,68.04061999999999,
11338,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([C:4]([H:11])([H:12])[H:13])=[C:5]([H:14])[C:6]([H:9])([H:15])[N:7]1[H:16])([H:8])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3,7H,2,4H2,1H3",92.23916,19.23197,Intra_ene_reaction
11339,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([C+:4]([H:11])[H:12])[c:5]([H:14])[c-:6][n:7]1[H:16])([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-4-7-6(5)2;/h3,7H,1H2,2H3;1H",147.19458,97.37886999999999,
11340,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[C:6][N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h7H,3H2,1-2H3",59.81267,49.31801,Singlet_Carbene_Intra_Disproportionation
11341,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])=[C-:6][N+:7]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3H,7H2,1-2H3",86.60159,76.44331,
11342,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:5]([C:4]([H:11])([H:12])[H:13])[H:14])[N:7]([C:6][H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-4-5-6(2)7-3/h3-4,7H,1-2H3",160.96881000000002,92.46451,
11343,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C@@:3]([C:4]([H:11])([H:12])[H:13])([H:9])[C:5]([H:14])=[C:6]([H:15])[N:7]1[H:16])([H:8])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-5,7H,2H2,1H3/t5-/m1/s1",87.50295,22.781,
11344,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3](=[C:4]([H:11])[H:12])[C-:5]=[C:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-4-7-6(5)2;/h4,7H,1H2,2H3;1H",125.98782,104.62853,
11345,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C+:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c-:6][n:7]1[H:16])([H:8])[H:10].[H:9][H:15],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-4-7-6(5)2;/h3,7H,2H2,1H3;1H",131.98375,78.10024,
11346,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:3][C@@:5]([C:4]([H:11])([H:12])[H:13])([H:14])[C+:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h4-5,7H,1-2H3/t5-/m0/s1",105.36003999999998,81.17219,
11347,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([N+:7]1([H:16])[C-:2]=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])=[C:6]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-6-3-4-7(2)5-6/h3-4,7H,1-2H3",114.04378,85.12071999999999,
11348,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([C:4]([H:11])([H:12])[H:13])=[C:5]=[C:6]([H:15])[N:7]1[H:16])([H:8])[H:10].[H:9][H:14],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-4-7-6(5)2;/h4,7H,2H2,1H3;1H",142.34691,97.57533000000001,
11349,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]=[C:5]([H:14])[C@:6]([C:4]([H:11])([H:12])[H:13])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3,5,7H,1-2H3/t5-/m1/s1",107.32595,66.24805,
11350,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:13])[C:3](=[C:4]([H:11])[H:12])[C:5]([H:14])=[C:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,6-7H,1H2,2H3/t6-/m0/s1",93.82955,23.215429999999998,
11351,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C:6]([H:15])([H:16])[C:5]([H:14])=[C:3]1[C:4]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3H,4H2,1-2H3",43.82628,10.53536,
11352,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:3]1([C:4]([H:11])([H:12])[H:13])[C:2][N:7]([H:16])[C:6]([H:15])=[C:5]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-6(2)3-4-7-5-6/h3-4,7H,1-2H3",79.64844000000001,56.714980000000004,
11353,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]1(/[C:6](=[N:7]/[H:16])[H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h3,6-7H,1-2H3/b7-3+",101.90397,56.387330000000006,
11354,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C@@:3]([C:4]([H:11])([H:12])[H:13])([H:14])[C-:5]=[C:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h4-5,7H,1-2H3/t5-/m1/s1",80.09665,78.33395,
11355,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[c:2]1[c:3](=[C:4]([H:11])[H:12])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])[H:10].[H:9][H:13],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-4-7-6(5)2;/h3-4,7H,1-2H2;1H",74.05783000000001,46.85151,
11356,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:16])[C:3]([C:4]([H:11])([H:12])[H:13])=[C:5]([H:14])[C:6]([H:15])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,6H,1-2H3/t6-/m0/s1",44.99259,14.558929999999998,
11357,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([H:11])[H:13])([C:6](=[O:7])[H:19])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3/t6-/m1/s1",84.98294,0.8869299999999999,
11358,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C:2](=[C:3]([C@:4]([C:5]([H:16])([H:17])[H:18])([C:6](=[O:7])[H:19])[H:14])[H:13])([H:11])[H:12],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C5H8O.CH4/c1-3-5(2)4-6;/h3-5H,1H2,2H3;1H4/t5-;/m0./s1",112.93843000000001,18.09819,
11359,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:6](/[O:7][H:17])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:16])[H:18])([H:14])[H:15],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C4H8O.C2H4/c1-2-3-4-5;1-2/h3-5H,2H2,1H3;1-2H2/b4-3+;",59.177080000000004,31.81212,Retroene
11360,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:19])([H:13])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C5H12.CO/c1-3-5-4-2;1-2/h3-5H2,1-2H3;",107.7357,-1.9687299999999999,"1,2_Insertion_CO"
11361,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])[H:12])([H:9])[H:10].[H:8][H:11],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C6H10O.H2/c1-3-6(4-2)5-7;/h3,5-6H,1,4H2,2H3;1H/t6-;/m0./s1",116.4008,31.66556,
11362,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])=[C:6]([O:7][H:13])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5,7H,3-4H2,1-2H3",72.47108,10.594389999999999,ketoenol
11363,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:4](/[C:5]([H:14])([H:16])[H:18])[H:15])[C:6](=[O:7])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:17],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C6H10O.H2/c1-3-6(4-2)5-7;/h3,5H,4H2,1-2H3;1H/b6-3-;",100.55875999999999,27.165340000000004,
11364,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:6](/[O:7][C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C6H12O/c1-3-5-6-7-4-2/h5-6H,3-4H2,1-2H3/b6-5+",93.68172,15.05395,ketoenol
11365,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:6]([H:17])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:16])[H:18])([H:14])[H:15],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C4H8O.C2H4/c1-2-4-3-5-4;1-2/h4H,2-3H2,1H3;1-2H2/t4-;/m0./s1",105.06168000000001,45.02064,
11366,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C@:4]([C:5]([H:16])([H:17])[H:18])([C:6](=[O:7])[H:19])[H:14])[H:13])[H:12])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C6H10O.H2/c1-3-4-6(2)5-7;/h3-6H,1-2H3;1H/b4-3+;/t6-;/m0./s1",104.18809,27.51902,
11367,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6][O:7][H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C6H12O/c1-3-6(4-2)5-7/h6-7H,3-4H2,1-2H3",80.41716,52.20401,
11368,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:6](=[O:7])[H:19])[H:13])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:16])[H:18])([H:14])[H:15].[H:11][H:17],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C4H6O.C2H4.H2/c1-2-3-4-5;1-2;/h2-4H,1H3;1-2H2;1H/b3-2+;;",89.0366,48.746190000000006,
11369,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:6]#[N:7])([H:8])([H:9])[H:10].[C:2]([C:3]([H:11])([H:12])[H:13])[C:4]([O:5][H:16])([H:14])[H:15],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C3H6O.C2H3N/c1-2-3-4;1-2-3/h4H,3H2,1H3;1H3",107.95783,86.91229,
11370,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:14])[H:15].[H:12][H:16],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C4H5N.CH2O.H2/c1-4(2)3-5;1-2;/h1H2,2H3;1H2;1H",85.65196,45.57385,
11371,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([H:14])[H:15])([H:8])([H:9])[H:10].[O:5]([N+:7]#[C-:6])[H:16],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C4H8.CHNO/c1-4(2)3;1-2-3/h1H2,2-3H3;3H",113.85023999999999,86.18718,
11372,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:13])[C:4]([O:5][H:16])([H:14])[H:15])([C:6]#[N:7])([H:9])[H:10].[H:8][H:12],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C5H7NO.H2/c1-5(4-7)2-3-6;/h7H,1-2,4H2;1H",131.08028000000002,31.062070000000002,
11373,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10].[H:14][H:16],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C5H7NO.H2/c1-5(2,3-6)4-7;/h4H,1-2H3;1H",85.29049,19.75542,
11374,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:6]#[N:7])[H:14])([H:8])([H:9])[H:10].[C:4]([O:5][H:16])[H:15],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C4H7N.CH2O/c1-4(2)3-5;1-2/h4H,1-2H3;1-2H",80.94904,68.96056999999999,
11375,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:6]=[N:7][C:4]([O:5][H:16])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C5H9NO/c1-5(2)3-6-4-7/h7H,4H2,1-2H3",82.46258,26.721690000000002,
11376,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[N+:7]#[C-:6])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C5H9NO/c1-5(2,4-7)6-3/h7H,4H2,1-2H3",60.38335,19.82742,
11377,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-",72.67401,8.81526,
11378,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:15])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@:6]1([H:14])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-2-5-3-6(4)7-5/h4-6H,2H2,1H3/t4-,5+,6+/m0/s1",56.180969999999995,34.01086,
11379,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[O:5][C:6]([H:14])=[C:7]2[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-6-2-3-7-5(6)4-6/h2-3,5H,4H2,1H3/t5-,6+/m1/s1",49.05174,-34.0762,
11380,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[O:5][C@:6]1([H:14])[C@@:7]2([C:4][H:13])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-5-6(4,2)3-7-5/h1,4-5H,3H2,2H3/t4-,5+,6-/m0/s1",110.26535,63.13523000000001,
11381,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C-:4]=[O+:5][C@:6]1([H:14])[C:7]2([H:13])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-6-2-3-7-5(6)4-6/h5H,2,4H2,1H3/t5-,6+/m1/s1",67.18824000000001,6.35885,
11382,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([O+:5]=[C-:6]1)[C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-6-2-5(3-6)7-4-6/h5H,2-3H2,1H3",52.56035,12.69307,
11383,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:7]1([H:15])[C@@:4]2([H:13])[C:3]([H:11])([H:12])[C@:6]1([H:14])[O:5]2)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-2-4-5-3-6(4)7-5/h4-6H,3H2,1H3/t4-,5+,6-",115.72861999999999,78.17214,
11384,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[C@@:4]([O+:5]=[C-:6][H:14])([H:13])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-5-3-6(4-5)7-2/h2-3,6H,4H2,1H3/t6-/m0/s1",58.007540000000006,29.175290000000004,
11385,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C@:6]2([H:14])[O+:5]=[C-:4][C@:7]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-6(2)4-3-7-5(4)6/h4-5H,1-2H3/t4-,5+/m0/s1",66.77694,32.3562,
11386,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])[C:6]([H:14])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-6(2-3-6)4-5-7/h2-3,5H,4H2,1H3",41.88501,-7.0118100000000005,
11387,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:14])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O+:5]=[C-:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-2-6-5(4)3-7-6/h4-6H,2H2,1H3/t4-,5+,6-/m1/s1",47.029709999999994,24.24878,
11388,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C@:6]1([H:14])[O:5][C:4]([H:13])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-5(2)6-3-4-7-6/h3-4,6H,1H2,2H3/t6-/m1/s1",57.30905,-15.71166,
11389,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4][C@@:7]1([H:15])[C@:6]2([O:5][H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-6-3-2-4(6)5(6)7/h4-5,7H,3H2,1H3/t4-,5+,6-/m0/s1",68.17042,32.425059999999995,
11390,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:6](=[O:5])[H:14])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-6(5-7)3-2-4-6/h2-3,5H,4H2,1H3/t6-/m1/s1",35.35935,-31.210440000000002,
11391,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])=[C:4]([H:13])[C@@:7]1([H:15])[C@:6]2([O:5][H:12])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-6-3-2-4(6)5(6)7/h2-5,7H,1H3/t4-,5+,6-/m0/s1",101.79083,-2.8212200000000003,
11392,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:7]1([H:15])[C@@:4]2([H:13])[C:3]([H:11])([H:12])[C:2][C@:6]1([H:14])[O:5]2)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-5-2-3-6(4)7-5/h4-6H,2H2,1H3/t4-,5+,6-/m0/s1",93.76678000000001,46.442440000000005,
11393,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O+:5]=[C-:6][C@@:7]12[H:15])([H:9])[H:10].[H:8][H:14],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H6O.H2/c1-4-2-6-5(4)3-7-6;/h5-6H,1-2H2;1H/t5-,6+;/m0./s1",106.43361000000002,55.06137,
11394,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([H:14])[O:5][C@:4]2([H:13])[C:3]([H:11])([H:12])[C@:7]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-3-7-6-2-5(4)6/h3,5-6H,2H2,1H3/t5-,6-/m1/s1",84.7432,-34.24093,
11395,[N:1]([c:2]1[n:3][o:4][c:5](=[O:6])[n:7]1[H:10])([H:8])[H:9],[N+:1]([c:2]1[n-:3][o:4][c:5](=[O:6])[n:7]=1)([H:8])([H:9])[H:10],"InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)","InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)",59.79642,40.75971,
11396,[N:1]([c:2]1[n:3][o:4][c:5](=[O:6])[n:7]1[H:10])([H:8])[H:9],[C-:5]#[O+:6].[N:1](/[C:2]([N:3]=[O:4])=[N:7]\[H:10])([H:8])[H:9],"InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)","InChI=1S/CH3N3O.CO/c2-1(3)4-5;1-2/h(H3,2,3);",84.76853,51.99689,
11397,[N:1]([c:2]1[n:3][o:4][c:5](=[O:6])[n:7]1[H:10])([H:8])[H:9],[N:1](=[c:2]1\[n:3]([H:8])[o:4][c:5](=[O:6])[n:7]1[H:10])\[H:9],"InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)","InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)",58.5553,9.0622,
11398,[N:1]([c:2]1[n:3][o:4][c:5](=[O:6])[n:7]1[H:10])([H:8])[H:9],[C:5](=[O:6])=[N:7][H:10].[N:1]([C:2]1=[N:3][O:4]1)([H:8])[H:9],"InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)","InChI=1S/CH2N2O.CHNO/c2-1-3-4-1;2-1-3/h(H2,2,3);2H",90.51101,55.328759999999996,
11399,[N:1]([c:2]1[n:3][o:4][c:5](=[O:6])[n:7]1[H:10])([H:8])[H:9],[N:1]([c:2]1[n:3][o:4][c:5]([O:6][H:10])[n:7]1)([H:8])[H:9],"InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)","InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)",52.46705,4.90067,ketoenol
11400,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:12])[C:5]([H:11])=[C:6]([H:13])[N:7]1[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h2,4H,1,3H2,(H,6,7)",71.42036,-3.50185,
11401,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5][C:6]([H:12])([H:13])[N:7]1[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1,3-4H2,(H,6,7)",68.73496999999999,68.67225,Singlet_Carbene_Intra_Disproportionation
11402,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]([C+:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C-:6]([H:13])[N:7]1[H:14])[H:12],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2,4,6-7H,3H2",93.62420999999999,51.95712,
11403,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]1/[C:2](=[N:7]\[H:14])[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c6-5-3-1-2-4-7-5/h1-2,6H,3-4H2/b6-5-",104.4171,20.0834,ketoenol
11404,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4][C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h2-4H2,(H,6,7)",71.58524,70.20249,Singlet_Carbene_Intra_Disproportionation
11405,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[H:9][H:13].[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H5NO.H2/c7-5-3-1-2-4-6-5;/h1-4H,(H,6,7);1H",55.4904,9.8971,
11406,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]1[C:2](=[C:3]([H:8])[H:9])[N:7]([H:14])[C:6]([H:12])([H:13])[C:5]([H:11])=[C:4]1[H:10],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-5-6-3-2-4-7-5/h2,4,6H,1,3H2",116.38944,33.24801,ketoenol
11407,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C-:6]([H:12])[N+:7]1([H:13])[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2,4H,3,6H2",82.37516,67.03773000000001,
11408,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C@@:4]1([C@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])[H:10],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-1-3(5)4-2-6-4/h3-4,6H,1-2H2/t3-,4+/m1/s1",102.31248000000001,64.74383,
11409,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]=[N:7][C:6](/[C:5](=[C:4](\[C:3]([H:8])([H:9])[H:14])[H:10])[H:11])([H:12])[H:13],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h2-3H,4H2,1H3/b3-2-",101.62743,12.628960000000001,
11410,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O-:1][C:2]1=[C:3]([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N+:7]1([H:8])[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-3,6-7H,4H2",73.83041,35.7938,
11411,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[C:3]([C:4]1=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:8])([H:9])[H:10].[O+:1]#[C-:2],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C4H7N.CO/c1-4-2-3-5-4;1-2/h2,5H,3H2,1H3;",163.34332,44.303329999999995,
11412,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]([C+:2]1[C:3]([H:8])([H:9])[C-:4]=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])[H:10],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h2,6-7H,3-4H2",104.85938,83.93844,
11413,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]1[C@:2]23[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]3[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-4-3-2-6-5(1,3)7-4/h3-4,6H,1-2H2/t3-,4-,5+/m0/s1",151.13232,121.31943000000001,
11414,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]([C:3](/[C:4](=[C:5]([C:6](=[N:7]\[H:14])\[H:13])/[H:11])[H:10])([H:8])[H:9])[H:12],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c6-4-2-1-3-5-7/h1-2,4-6H,3H2/b2-1-,6-4+",87.63542,31.807270000000003,
11415,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]=[N:7][C:6]([C:5]([C:4](=[C:3]([H:8])[H:9])[H:10])([H:11])[H:14])([H:12])[H:13],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h2H,1,3-4H2",86.91402,13.60565,
11416,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]1[C@:2]2([C:3]1([H:8])[H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]2[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-5(4-7-5)6-3-1/h1-2,6H,3-4H2/t5-/m0/s1",112.76186000000001,43.19977,
11417,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]1[C:3]([H:8])=[C:4]([H:10])[C:5]([H:9])([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1,3H,2,4H2,(H,6,7)",77.02216999999999,0.01095,
11418,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]([C:2]1=[N:7][C:6]([H:12])([H:13])[C:5]([H:11])=[C:4]([H:10])[C:3]1([H:8])[H:9])[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)",41.47506,8.93543,ketoenol
11419,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]([C:2]1=[C:3]([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-3,6-7H,4H2",62.66979,19.80375,ketoenol
11420,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([O:7][C:6]([C:5]([C:4][H:13])([H:14])[H:15])([H:16])[H:17])[H:12],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H10O/c1-2-5-7-6-3-4-6/h1,6H,2-5H2",126.19995,85.86182,
11421,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]([C:5][H:14])([O:7][C:6]([H:15])([H:16])[H:17])[H:13])[H:12],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H10O/c1-5(7-2)6-3-4-6/h1,5-6H,3-4H2,2H3/t5-/m1/s1",91.21545,79.13882,
11422,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]([C:5]([H:14])([H:15])[H:17])([O+:7]=[C-:6][H:16])[H:13])[H:12],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H10O/c1-5(7-2)6-3-4-6/h2,5-6H,3-4H2,1H3/t5-/m1/s1",84.54333000000001,48.74658,
11423,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C4H6O.C2H4/c1-4-2-3-5-4;1-2/h1,4H,2-3H2;1-2H2/t4-;/m0./s1",103.80496,99.5981,
11424,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4](=[O:7])[H:13])[H:12].[C:5](=[C:6]([H:16])[H:17])([H:14])[H:15],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C4H6O.C2H4/c5-3-4-1-2-4;1-2/h3-4H,1-2H2;1-2H2",61.996,1.6690900000000002,2+2_cycloaddition
11425,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])=[C:4]([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1,"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1-2H,3-6H2",76.94118,-15.28113,
11426,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]([C:2]([H:10])([H:11])[H:12])([C:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])[H:9],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H10O/c1-2-3-6-4-5-7-6/h6H,2,4-5H2,1H3/t6-/m0/s1",64.93883000000001,62.21788000000001,
11427,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C@@:4]1([H:13])[C@:5]2([H:15])[C:6]([H:16])([H:17])[O:7]1.[H:12][H:14],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-2-6(1)4-3-7-5(4)6;/h4-5H,1-3H2;1H/t4-,5+;/m0./s1",136.28384,49.275690000000004,
11428,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4][H:13])[H:12].[C:5]1([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1,"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C4H6.C2H4O/c1-4-2-3-4;1-2-3-1/h1,4H,2-3H2;1-2H2",124.45768999999999,96.40474,
11429,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4](=[C:5]([H:14])[H:15])[H:13])[H:12].[C:6](=[O:7])([H:16])[H:17],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C5H8.CH2O/c1-2-5-3-4-5;1-2/h2,5H,1,3-4H2;1H2",60.87973,10.44378,2+2_cycloaddition
11430,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1](=[C:2]([H:10])[H:11])([C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:12])[H:8],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H10O/c1-2-3-6-4-5-7-6/h2,6H,1,3-5H2/t6-/m0/s1",85.87201,-4.61661,
11431,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3](=[C:4]1[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:12])[H:13],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1",InChI=1S/C4H6O.C2H4/c1-4-2-3-5-4;1-2/h1-3H2;1-2H2,99.47639000000001,13.279539999999999,
11432,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C-:6]=[O+:7]1)[H:12].[H:16][H:17],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-2-5(1)6-3-4-7-6;/h5-6H,1-3H2;1H/t6-;/m1./s1",85.63846,66.67154000000001,
11433,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])=[C:6]([H:17])[O:7]1)[H:12].[H:15][H:16],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-2-5(1)6-3-4-7-6;/h3-6H,1-2H2;1H/t6-;/m1./s1",120.27058000000001,33.54753,
11434,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1](=[C:3]([C:2]([H:10])([H:11])[H:15])[H:12])([H:8])[H:9].[C:4]1([H:13])=[C:5]([H:14])[C:6]([H:16])([H:17])[O:7]1,"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C3H4O.C3H6/c1-2-4-3-1;1-3-2/h1-2H,3H2;3H,1H2,2H3",93.45049,22.41778,
11435,[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]1)([H:8])([H:9])[H:10].[C:6]([O:7][H:17])([H:14])([H:15])[H:16],"InChI=1S/C5H10O2/c1-4(6)3-5(4,2)7/h6-7H,3H2,1-2H3/t4-,5+","InChI=1S/C4H6O.CH4O/c1-4(5)2-3-4;1-2/h5H,2H2,1H3;2H,1H3/t4-;/m1./s1",123.95839,104.083,
11436,[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C:5]([C:4]([C:2][O:3][H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)3-5(4,2)7/h6-7H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10O2/c1-5(2,7)3-4-6/h6-7H,3H2,1-2H3",86.23727,38.60886,
11437,[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:4]([H:12])[H:13])([H:8])([H:9])[H:10].[C:5]([C:6]([H:14])([H:15])[H:16])[O:7][H:17],"InChI=1S/C5H10O2/c1-4(6)3-5(4,2)7/h6-7H,3H2,1-2H3/t4-,5+","InChI=1S/C3H6O.C2H4O/c1-3(2)4;1-2-3/h4H,1H2,2H3;3H,1H3",60.981519999999996,52.216440000000006,
11438,[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])=[C:5]1[C:6]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10].[O:7]([H:13])[H:17],"InChI=1S/C5H10O2/c1-4(6)3-5(4,2)7/h6-7H,3H2,1-2H3/t4-,5+","InChI=1S/C5H8O.H2O/c1-4-3-5(4,2)6;/h3,6H,1-2H3;1H2/t5-;/m1./s1",71.68168,30.68777,
11439,[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])([C:4]([H:12])([H:13])[H:17])[C:5]([C:6]([H:14])([H:15])[H:16])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)3-5(4,2)7/h6-7H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3",59.93237,-21.87585,
11440,[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])[H:10].[O:3]([H:9])[H:11],"InChI=1S/C5H10O2/c1-4(6)3-5(4,2)7/h6-7H,3H2,1-2H3/t4-,5+","InChI=1S/C5H8O.H2O/c1-4-3-5(4,2)6;/h6H,1,3H2,2H3;1H2/t5-;/m0./s1",71.85624,25.11385,"1,3_Insertion_ROR"
11441,[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C:4]([C:5]([O:3][H:11])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)3-5(4,2)7/h6-7H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10O2/c1-3-4-5(2,6)7/h6-7H,4H2,1-2H3",78.89022,58.94985,
11442,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N+:1]1([H:8])([H:9])[C:2](=[N:7][C:5](=[N:4][H:10])[O:6][H:11])[N-:3]1,"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-1(7)4-2-5-6-2/h5H2,(H2-,3,4,6,7)",75.18199,67.97026,
11443,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1]([c:2]1[n:3][n:4]([H:10])[c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)",42.9442,-4.57717,ketoenol
11444,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1]([C@@:5]([N:4]([N-:3])[H:10])([O:6][H:11])[N+:7]#[C:2])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c1-5-2(3,7)6-4/h6-7H,3H2/t2-/m1/s1",149.20596,79.29767,ketoenol
11445,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][C:5](=[O:6])[N+:4]([H:10])([H:11])[N-:3]1)([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h6H2,(H2-,3,4,5,7)",59.730290000000004,17.8068,ketoenol
11446,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][N:3]1[N+:4](=[C-:5][O:6][H:11])[H:10])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-2-5-6(2)4-1-7/h4,7H,(H2,3,5)",141.73193999999998,110.26199,
11447,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][C@:5]([O:6][H:11])([H:10])[N:4]=[N:3]1)([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h2,7H,(H2,3,4)/t2-/m1/s1",55.18662,31.77075,
11449,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:3][N:7]1/[C:5](=[N:4]/[H:10])[O:6][H:11])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-1-5-6(1)2(4)7/h(H2,3,5)(H2,4,7)",91.51666,60.559,
11450,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1]([c:2]1[n:3]([H:10])[n:4][c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)",46.49823,1.8242099999999999,
11451,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N-:3][N:4]([C+:5][O:6][H:11])[H:10].[N:1]([C:2]#[N:7])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)",InChI=1S/CH2N2O.CH2N2/c2-3-1-4;2-1-3/h3-4H;2H2,135.91079,131.63454,
11452,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][C@@:5]2([O:6][H:11])[N:3]1[N:4]2[H:10])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-1-4-2(7)5-6(1)2/h5,7H,(H2,3,4)/t2-,6?/m0/s1",76.3878,74.9371,
11453,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N-:1]([c+:2]1[n:3]([H:9])[n:4]([H:10])[c+:5]([O:6][H:11])[n-:7]1)[H:8],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h3,5-7H",63.847480000000004,22.91856,
11454,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[O:1]1[C:2]2([H:9])[C:3]([H:10])([H:11])[N:4]([C:5]2([H:12])[H:13])[C@@:6]1([O:7][H:8])[H:14],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H7NO2/c6-4-5-1-3(2-5)7-4/h3-4,6H,1-2H2/t4-/m1/s1",56.26858000000001,26.836920000000003,
11455,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[C@@:2]12([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]2([H:12])[H:13].[O:1]([C:6](=[O:7])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C3H5N.CH2O2/c1-3-2-4(1)3;2-1-3/h3H,1-2H2;1H,(H,2,3)/t3-,4?;",91.43129,33.67395,
11456,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C-:3]([H:11])[N+:4]([C:6](=[O:7])[H:14])([H:10])[C:5]1([H:12])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h1,3-5,7H,2H2/t4-/m0/s1",81.62635999999999,73.77521,
11457,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C@:3]2([H:10])[N:4]([C:5]1([H:12])[H:13])[C@@:6]2([O:7][H:11])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H7NO2/c6-2-1-5-3(2)4(5)7/h2-4,6-7H,1H2/t2-,3+,4-,5?/m1/s1",98.10571999999999,32.316990000000004,
11458,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[O:1]([C-:2]1[C:3]([H:10])([H:11])[N+:4]([C:6](=[O:7])[H:14])([H:9])[C:5]1([H:12])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H6NO2/c6-3-5-1-4(7)2-5/h3,7H,1-2H2/q-1/p+1",89.62911,87.81635,
11459,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[C:2]1([H:9])=[C:3]([H:10])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13].[O:1]([H:8])[H:11],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H5NO.H2O/c6-4-5-2-1-3-5;/h1-2,4H,3H2;1H2",74.21868,18.0149,"1,3_Insertion_ROR"
11460,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[O:1]([C:2][C:3]([N:4]([C:5]([H:9])([H:12])[H:13])[C:6](=[O:7])[H:14])([H:10])[H:11])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H7NO2/c1-5(4-7)2-3-6/h4,6H,2H2,1H3",69.97923,38.29318,
11461,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[O:1]=[C:2]([C:3]([N:4]([C:5]([H:8])([H:12])[H:13])[C:6](=[O:7])[H:14])([H:10])[H:11])[H:9],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H7NO2/c1-5(4-7)2-3-6/h3-4H,2H2,1H3",75.63803,-12.21461,
11462,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[C:6](=[O:7])([H:9])[H:14].[O:1]([C:2]12[C:3]([H:10])([H:11])[N:4]1[C:5]2([H:12])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C3H5NO.CH2O/c5-3-1-4(3)2-3;1-2/h5H,1-2H2;1H2",96.91702,58.584990000000005,
11463,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]=[C:6]([H:14])[O:7][C:5]1([H:12])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m0/s1",74.58445,-4.4143099999999995,ketoenol
11464,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[O:1]([C:2](=[C:3]([H:10])[H:11])[C:5](/[N:4]=[C:6](\[O:7][H:9])[H:14])([H:12])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H7NO2/c1-4(7)2-5-3-6/h3,7H,1-2H2,(H,5,6)",73.55001,1.61133,
11465,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[H:10][H:12].[O:1]([C:2]1([H:9])[C-:3]([H:11])[N+:4]([C:6](=[O:7])[H:14])=[C:5]1[H:13])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H5NO2.H2/c6-3-5-1-4(7)2-5;/h1-4,7H;1H",99.77436999999999,89.0688,
11466,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]([C:6]#[N:7])[H:12])([C:4][C:5]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-3-5(2)7-4-6/h5,7H,1-2H3/t5-/m1/s1",88.4286,69.45455,
11467,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:4]([N:3]([C:2][H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-5(2,4-6)7-3/h3,7H,1-2H3",111.16413,33.062290000000004,
11468,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C-:2]1[N+:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h7H2,1-2H3/t5-/m1/s1",77.47009,57.37405,
11469,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:4]([N:3]([C:5]([H:13])([H:14])[H:15])[H:12])[C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-3-5(4-6)7-2/h3,7H,1-2H3",87.43013,-6.38919,
11470,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[N+:7]#[C-:6])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-4-5(2,6-3)7-4/h4,7H,1-2H3/t4-,5+/m1/s1",56.920190000000005,20.39102,
11471,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[C@@:4]([C:5]([H:13])([H:14])[H:15])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-3-7-5(2)4-6/h3,5H,1-2H3/b7-3+/t5-/m0/s1",73.59404,-10.46422,
11472,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([N+:3]1([H:12])[C-:2]([H:11])[C@@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-5(3-6)4-7(5)2/h4,7H,1-2H3/t5-/m1/s1",109.31295,59.59604,
11473,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[N:4][C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-3-4-6-5(2)7/h3H,1-2H3",65.03104,20.511210000000002,
11474,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@:2]([C:3]#[N:4])([H:11])[C@@:5]1([O:6][H:10])[C:7]([H:12])([H:13])[H:14],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-5(7)2-4(5)3-6/h4,7H,2H2,1H3/t4-,5+/m0/s1",85.10149,18.65225,
11475,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([O:6]/[C:5](=[C:2](/[C:3]#[N:4])[H:11])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-5(7-2)3-4-6/h3H,1-2H3/b5-3+",89.47059,14.372370000000002,ketoenol
11476,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:5](\[O:6][N+:4]#[C-:3])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-5(2)7-6-3/h4H,1-2H3/b5-4-",121.44006999999999,86.41821999999999,
11477,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]#[N:4])=[C:5](\[O:6][H:11])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h7H,1-2H3/b5-4+",60.54255,3.34586,ketoenol
11478,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[N:4][H:13])[H:11])([H:8])([H:9])[H:10].[C:5](=[O:6])=[C:7]([H:12])[H:14],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C3H5N.C2H2O/c1-2-3-4;1-2-3/h2,4H,1H3;1H2",69.16519,45.46105,Retroene
11479,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([N:4]=[O:6])=[C:5]1[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-3-4(2)5(3)6-7/h3H,1-2H3/t3-/m1/s1",155.70154,101.8828,
11480,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:5]([C:3]#[N:4])=[O:6])([C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-4(2)5(7)3-6/h4H,1-2H3",88.42056,7.85173,
11481,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]#[N:4])([C-:5]=[O+:6][C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-5(3-6)4-7-2/h5H,1-2H3/t5-/m0/s1",115.2282,67.34947,
11482,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]#[N:4])([C@@:5]1([H:13])[O:6][C:7]1([H:12])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-4(2-6)5-3-7-5/h4-5H,3H2,1H3/t4-,5-/m0/s1",97.81151,27.80337,
11483,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]#[N:4])[H:11])([H:8])[H:9].[C:5](=[O:6])([C:7]([H:12])([H:13])[H:14])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C3H3N.C2H4O/c1-2-3-4;1-2-3/h2H,1H2;2H,1H3",82.06786,27.374409999999997,
11484,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N+:4]#[C-:3])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-4(6-3)5(2)7/h4H,1-2H3/t4-/m1/s1",57.99507,21.779320000000002,
11485,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]#[N:4])([C:5](=[O:6])[H:11])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-5(2,3-6)4-7/h4H,1-2H3",81.74883,7.05134,
11486,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:5]([N:4]=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-3-4-5(2)6-7/h3H,1-2H3",169.9104,77.10153000000001,
11487,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3](=[O:6])[N:4]=[C:5]1[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-3-4(2)6-5(3)7/h3H,1-2H3/t3-/m1/s1",137.61958,15.22417,
11488,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:5](/[O:6][C:3]#[N:4])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-3-5(2)7-4-6/h3H,1-2H3/b5-3+",84.28213000000001,26.70725,ketoenol
11489,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]#[N:4])([C:5]([O:6][H:13])=[C:7]([H:12])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4,7H,2H2,1H3/t4-/m0/s1",67.47051,11.14895,ketoenol
11490,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]#[N:4])([C:7]([C:5](=[O:6])[H:13])([H:12])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m1/s1",94.90209,7.51128,
11491,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]([O+:6]=[C-:5][H:13])([H:12])[C:7]1([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-7-5-2-4(6)3-5/h1,4-6H,2-3H2/t4-,5+",78.67865,43.25806,
11492,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[O:1]([C:2][C:3]([C@@:4]1([C:7]([H:9])([H:14])[H:15])[C:5]([H:12])([H:13])[O:6]1)([H:10])[H:11])[H:8],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5(2-3-6)4-7-5/h6H,2,4H2,1H3/t5-/m0/s1",69.47592,40.19621,
11493,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[C:2]1([H:9])=[C:7]([H:15])[C@:4]2([C:3]1([H:10])[H:11])[C:5]([H:12])([H:13])[O:6]2.[O:1]([H:8])[H:14],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2O/c1-2-5(3-1)4-6-5;/h1-2H,3-4H2;1H2/t5-;/m0./s1",69.02559000000001,18.27066,"1,3_Insertion_ROR"
11494,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[O:1]([C@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]([C:5](=[O:6])[H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h3-5,7H,1-2H2/t4-,5+",59.9024,-20.2766,
11495,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[O:1]=[C:2]([C:3]([C@@:4]1([C:7]([H:8])([H:14])[H:15])[C:5]([H:12])([H:13])[O:6]1)([H:10])[H:11])[H:9],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5(2-3-6)4-7-5/h3H,2,4H2,1H3/t5-/m0/s1",72.83829,-14.476429999999999,
11497,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]([C:5][H:13])([O:6][H:12])[C:7]1([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5(7)2-4(6)3-5/h1,4,6-7H,2-3H2/t4-,5+",73.11964,68.49718,
11498,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:4](=[O+:6][C-:5]([H:12])[H:13])[C:7]1([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-7-5-2-4(6)3-5/h4,6H,1-3H2",70.06434,52.792190000000005,
11499,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[O:1]=[C:2]([C:7]([C:4](=[C:3]([H:10])[H:11])[C:5]([O:6][H:8])([H:12])[H:13])([H:14])[H:15])[H:9],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5(4-7)2-3-6/h3,7H,1-2,4H2",47.96009,-20.2803,
11500,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[O:1]([C:2](=[C:3]([H:10])[H:11])[C:7]([C:4]([C:5]([H:9])([H:12])[H:13])=[O:6])([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h6H,1,3H2,2H3",77.75371,-34.930240000000005,
11501,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[C-:4]1=[O+:6][C:5]1([H:12])[H:13].[O:1]([C:2]([C:3]([H:9])([H:10])[H:11])=[C:7]([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C3H6O.C2H2O/c1-3(2)4;1-2-3-1/h4H,1H2,2H3;1H2",124.53565,51.91963,
11502,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1](=[C:2]1/[C:3]([H:9])=[N:4][C:5]([H:10])([H:11])[C-:6]=[O+:7]1)\[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h3,5H,1H2/b5-4-",68.31347,55.4291,Singlet_Carbene_Intra_Disproportionation
11503,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1](=[C:2]=[C:3]([N:4]=[C:5]([C:6](=[O:7])[H:11])[H:10])[H:9])[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-",InChI=1S/C4H4N2O/c5-1-2-6-3-4-7/h2-5H,33.537659999999995,30.15632,
11504,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N-:1]([C:2]1=[C:3]([H:9])[N:4]([H:10])[C+:5]=[C:6]([H:11])[O:7]1)[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h2-3,5-6H",90.00889000000001,55.911590000000004,
11505,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1]1([H:8])[C:2][C@:3]1(/[N:4]=[C:5](\[C:6](=[O:7])[H:11])[H:10])[H:9],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c7-2-1-5-4-3-6-4/h1-2,4,6H/b5-1-/t4-/m0/s1",76.63067,79.49143000000001,
11506,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[n:1]1([H:8])[c:2](=[O:7])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)",97.90271,-24.65461,ketoenol
11507,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1](=[C:2](\[O:7]/[C:6](=[C:5](\[N+:4]#[C-:3])[H:10])[H:11])[H:9])\[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c1-6-2-3-7-4-5/h2-5H/b3-2-,5-4-",95.97864,28.8778,
11508,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1](=[C:2]1/[C@@:3]2([H:9])[N:4]3[C@@:5]2([H:10])[C@:6]3([H:11])[O:7]1)\[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-3-1-2-4(7-3)6(1)2/h1-2,4-5H/b5-3-/t1-,2+,4-,6?/m0/s1",72.76261,31.63425,
11509,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1](=[C:2](\[c:3]1[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)[H:9])\[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-3-4-6-1-2-7-4/h1-3,5H/b5-3-",72.67846,-8.10875,
11510,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1](=[C:2]1/[C:3]([H:9])=[N+:4]=[C-:5][C:6]([H:10])([H:11])[O:7]1)\[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h3,5H,2H2/b5-4-",78.17947,63.10428,Singlet_Carbene_Intra_Disproportionation
11511,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[C:3](#[N:4])[H:9].[C:5](#[C:6][H:11])[H:10].[N:1](=[C:2]=[O:7])[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-",InChI=1S/C2H2.CHNO.CHN/c1-2;2-1-3;1-2/h1-2H;2H;1H,107.58385,31.146929999999998,
11512,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1](=[C:2]1/[C:3]([H:9])=[N:4][C:5]([H:10])=[C:6]1[O:7][H:11])\[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-3-1-6-2-4(3)7/h1-2H,(H2,5,7)",78.60809,9.30964,
11513,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1](=[c:2]1[c:3]([H:9])[n+:4]1[C:5](=[C:6]([O-:7])[H:11])[H:10])[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-3-6(4)1-2-7/h1-3H,(H-,5,7)",55.95139,58.0038,
11514,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1]1([H:8])[C+:2]=[C:3]([H:9])[N-:4][C@@:5]1([C:6](=[O:7])[H:11])[H:10],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c7-3-4-5-1-2-6-4/h1,3-4,6H/t4-/m0/s1",61.90485,38.97413,
11515,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1]([C:2]1=[C:3]=[N:4][C:5]([H:10])=[C:6]([H:11])[O:7]1)([H:8])[H:9],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-2H,5H2",66.61565999999999,50.03053,
11516,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([N:7]([C:6][H:15])[H:17])([H:14])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-4-5(7-4)3-6-2/h2,4-7H,3H2,1H3/t4-,5+/m1/s1",73.61933,30.325740000000003,
11517,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[C:4]([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-2-6-3-5-4-7-5/h2,5,7H,3-4H2,1H3/b6-2+/t5-/m0/s1",63.25487,-13.700529999999999,
11518,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1(/[C:5](=[N:7]/[C:6]([H:15])([H:16])[H:17])[H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-4-5(7-4)3-6-2/h3-5,7H,1-2H3/b6-3+/t4-,5+/m1/s1",59.06436,-16.90853,
11519,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]1=[C:5]([H:13])[H:14])([H:8])([H:9])[H:10].[C:6](=[N:7][H:17])([H:15])[H:16],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C4H7N.CH3N/c1-3-4(2)5-3;1-2/h4-5H,1H2,2H3;2H,1H2/t4-;/m1./s1",90.19577,12.83797,
11520,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:9])[H:10].[H:8][H:11],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8N2.H2/c1-3-5(7-3)4-2-6-4;/h4-7H,1-2H2;1H/t4-,5-;/m1./s1",116.39021000000001,36.15585,
11521,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]=[C:4]1[H:13])([H:8])([H:9])[H:10].[C:5]1([H:14])=[N:7][C:6]1([H:15])[H:16].[H:12][H:17],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C3H5N.C2H3N.H2/c1-3-2-4-3;1-2-3-1;/h2-3H,1H3;1H,2H2;1H/t3-;;/m1../s1",100.76088,63.708780000000004,
11522,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C-:5]1[C:6]([H:15])([H:16])[N+:7]1([H:14])[H:17])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3,5,7H,2,6H2,1H3/t3-,5-/m1/s1",66.0723,53.15549,
11523,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[H:12])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]1[C:6]([H:15])([H:16])[N:7]1[H:17])([H:13])[H:14],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C3H5N.C2H5N/c1-3-2-4-3;1-2-3/h4H,1-2H2;2-3H,1H3/b;3-2-",93.0157,10.19092,
11524,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@:2]([N:3]([H:8])[H:12])([H:11])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c6-4-1-3(4)5-2-7-5/h3-5,7H,1-2,6H2/t3-,4+,5+/m0/s1",105.71452,-5.06271,
11525,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]([C:4][H:13])[H:12])([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-4(6-2)5-3-7-5/h2,4-7H,3H2,1H3/t4-,5-/m1/s1",97.05463,28.18463,
11526,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]1=[C:6]([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8N2.H2/c1-3-5(7-3)4-2-6-4;/h2-3,5-7H,1H3;1H/t3-,5-;/m1./s1",119.54808,62.719669999999994,
11527,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C-:2]([N:3]([C+:4]([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-2-6-3-5-4-7-5/h2-3,5-7H,4H2,1H3/t5-/m0/s1",49.27686,22.42483,
11528,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:4]([N:3]([H:11])[H:12])([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-2-4(6)5-3-7-5/h4-5,7H,3,6H2,1H3/t4-,5-/m1/s1",67.23446,59.985369999999996,
11529,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2][N:3]([C:4]([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])([H:11])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-2-6-3-5-4-7-5/h5-7H,3-4H2,1H3/t5-/m0/s1",76.76201,20.81215,
11530,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4][C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:12])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-2-6-3-5-4-7-5/h5-7H,2,4H2,1H3/t5-/m0/s1",73.16828000000001,22.539360000000002,
11531,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([N:7]=[C:6]([H:15])[H:16])([H:14])[H:17])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-4-5(7-4)3-6-2/h4-5,7H,2-3H2,1H3/t4-,5+/m1/s1",63.98931999999999,-8.81429,
11532,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[C:4](/[C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-2-6-3-5-4-7-5/h3,5,7H,2,4H2,1H3/b6-3+/t5-/m0/s1",61.55614,-16.00275,
11533,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5][C:6]([N:7]([H:14])[H:17])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-4-5(7-4)2-3-6/h4-5,7H,3,6H2,1H3/t4-,5+/m1/s1",59.74841,51.45127,
11534,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@:6]1([C:7]([H:19])([H:20])[H:21])[C:3]([H:12])([H:13])[C@:4]1([C:5]([H:15])([H:16])[H:17])[H:14])[H:11])([H:9])[H:10].[H:8][H:18],"InChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7-","InChI=1S/C7H12.H2/c1-4-7(3)5-6(7)2;/h4,6H,1,5H2,2-3H3;1H/t6-,7-;/m1./s1",112.49428999999999,31.21515,
11535,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18],"InChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7-","InChI=1S/C6H10.CH4/c1-5-3-4-6(5)2;/h5-6H,3H2,1-2H3;1H4/t5-,6+;/m1./s1",95.76371999999999,90.67645,
11536,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4][C:5]([H:15])([H:16])[H:17])([H:12])[H:13])([C:6]([C:7]([H:19])([H:20])[H:21])([H:14])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7-","InChI=1S/C7H14/c1-4-6-7(3)5-2/h7H,5-6H2,1-3H3/t7-/m1/s1",78.20106,66.378,
11537,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:15])([H:16])[H:17])([C:6][C:7]([H:19])([H:20])[H:21])[H:14])([H:12])[H:13])([H:11])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7-","InChI=1S/C7H14/c1-4-6-7(3)5-2/h7H,4,6H2,1-3H3/t7-/m0/s1",80.91741,70.56317,
11538,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C@@:4]([C:5]([H:15])([H:16])[H:17])([C:6](=[C:7]([H:19])[H:21])[H:18])[H:14])([H:12])[H:13])[H:11])([H:9])[H:10].[H:8][H:20],"InChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7-","InChI=1S/C7H12.H2/c1-4-6-7(3)5-2;/h4-5,7H,1-2,6H2,3H3;1H/t7-;/m0./s1",79.90783,30.1497,
11539,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4](\[C:5]([H:15])([H:16])[H:17])(=[C:6](\[C:7]([H:19])([H:20])[H:21])[H:18])[H:14],"InChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7-","InChI=1S/C4H8.C3H6/c1-3-4-2;1-3-2/h3-4H,1-2H3;3H,1H2,2H3/b4-3-;",101.91553,17.71489,
11540,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],[C:1]([C:7]([C@@:6]1([H:18])[C:2]([H:8])([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([H:15])([H:16])[H:17])[H:14])([H:20])[H:21])([H:9])([H:10])[H:19],"InChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7-","InChI=1S/C7H14/c1-3-7-5-4-6(7)2/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1",109.48346000000001,1.87608,
11541,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:6]([C:4]([C:3]([H:11])([H:12])[H:13])([C:5]([H:15])([H:16])[H:17])[H:14])([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7-","InChI=1S/C7H14/c1-5-7(4)6(2)3/h6-7H,1-4H3/t7-/m0/s1",81.25974000000001,68.76814,
11542,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:5]([C@:6]([C:4](=[C:3]([H:11])[H:12])[H:13])([O:7][H:17])[H:16])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-3-5(6)4-7-2/h3,5-6H,1,4H2,2H3/t5-/m0/s1",75.91758,-6.5773600000000005,
11543,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[C:4](\[C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])[H:12])([H:8])([H:9])[H:10].[H:11][H:17],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-7-5-3-2-4-6;/h3-5H,2H2,1H3;1H/b5-3-;",53.13534,9.62912,
11544,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4][C:5]([C:6]([O:7][H:17])([H:13])[H:16])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h6H,2,4-5H2,1H3",65.65799,62.43736,
11545,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:17])([H:8])([H:9])[H:10].[C:3](=[C:4]([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:11])[H:12],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H6O.CH4O/c1-2-3-4-5;1-2/h2,4H,1,3H2;2H,1H3",38.95799,-1.73543,
11546,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:7][C@@:6]1([H:16])[C@:4]([C:3]([O:2][H:17])([H:11])[H:12])([H:13])[C:5]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1",82.72164000000001,0.00011999999999999999,
11547,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1)([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:16])[H:17],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O.H2O/c1-6-4-5-2-3-5;/h5H,2,4H2,1H3;1H2/t5-;/m0./s1",84.3229,83.0577,
11548,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4](=[C:5]([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([O:7][H:17])[H:16],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-3-4-5-2;1-2/h3H,1,4H2,2H3;1-2H",66.138,65.8097,
11549,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4](/[C:5](=[C:6](\[O:7][H:17])[H:16])[H:14])([H:13])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h2,4,6H,3,5H2,1H3/b4-2-",65.96285999999999,-13.51237,
11550,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4][C@@:6]([C:5]([H:13])([H:14])[H:15])([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-5(6)3-4-7-2/h5-6H,4H2,1-2H3/t5-/m1/s1",64.18849,58.94894,
11551,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[C:4]([H:11])[H:13])[H:12])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:17])[H:16])([H:14])[H:15],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-3-4-2;1-2-3/h3H,1H2,2H3;2-3H,1H2",95.13602,9.516910000000001,
11552,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](/[C:4]([C:5]([H:13])([H:14])[H:15])=[C:6](\[O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,6H,4H2,1-2H3/b5-3-",64.18760999999999,-13.71323,
11553,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6][O:7][H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h5-6H,4H2,1-2H3/t5-/m0/s1",57.857330000000005,35.53802,
11554,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([C:5]([C:6][O:7][H:17])([H:14])[H:15])([H:13])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h6H,2-3,5H2,1H3",59.24539,35.07382,
11555,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]1=[C:6]([O:7][H:17])[C:5]1([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-7-3-4-2-5(4)6;/h6H,2-3H2,1H3;1H",114.94776,49.9484,
11556,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:6]([C:5]([C:4](=[C:3]([H:11])[H:12])[H:13])([H:14])[H:15])([O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3,5-6H,1,4H2,2H3/t5-/m0/s1",68.34097,-14.02005,
11557,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][H:12])([H:8])([H:9])[H:10].[C:4]1([H:11])([H:13])[C:5]([H:14])([H:15])[C:6]1([O:7][H:17])[H:16],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C3H6O.C2H4O/c4-3-1-2-3;1-3-2/h3-4H,1-2H2;1H,2H3",83.33151,66.78837,
11558,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[C:7][H:17])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:8])[H:9].[C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])=[C:6]=[C:7]([H:10])[H:17],"InChI=1S/C6H10O/c1-5-6(2,3)7-4/h1H,2-4H3","InChI=1S/C5H8.CH2O/c1-4-5(2)3;1-2/h1H2,2-3H3;1H2",43.13899,3.7784800000000005,Retroene
11559,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[C:7][H:17])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3]([C:5]([H:14])([H:15])[H:16])=[C:6](/[C:4]([H:11])([H:12])[H:13])[C:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-6(2,3)7-4/h1H,2-4H3","InChI=1S/C6H10O/c1-5(2)6(3)7-4/h1H,2-4H3/b6-5+",70.59886999999999,44.464929999999995,
11560,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[C:7][H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([C:5]([H:14])([H:15])[H:16])[C:4]([H:11])([H:12])[C:7]([H:13])([H:17])[C:6]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-6(2,3)7-4/h1H,2-4H3","InChI=1S/C6H10O/c1-6(7-2)4-3-5-6/h3-4H2,1-2H3/t6-/m0/s1",92.774,66.06811,
11561,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[C:7][H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:7](=[C:6])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-6(2,3)7-4/h1H,2-4H3","InChI=1S/C6H10O/c1-5-6(2,3)7-4/h5H,2-4H3",60.114830000000005,48.78672,Singlet_Carbene_Intra_Disproportionation
11562,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[C:7][H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])=[C:6]=[C:7]([C:5]([H:14])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-6(2,3)7-4/h1H,2-4H3","InChI=1S/C6H10O/c1-4-5-6(2)7-3/h4H,1-3H3",88.67088000000001,-6.75328,
11563,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3]([C:4]([H:14])([H:15])[H:16])/[N:5]=[C:6](\[O:7][H:13])[H:18])[H:12])([H:8])([H:9])[H:10].[H:11][H:17],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H9NO.H2/c1-3-5(2)6-4-7;/h3-4H,1-2H3,(H,6,7);1H/b5-3+;",100.84585,38.27073,
11564,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([O:7]/[C:6](=[N:5]/[H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H11NO/c1-3-5(2)7-4-6/h4-6H,3H2,1-2H3/b6-4+/t5-/m1/s1",69.59466,16.36124,ketoenol
11565,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6][O:7][H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h5-7H,3H2,1-2H3/t5-/m1/s1",72.60576,39.65916,
11566,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]=[C:6]=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:17][H:18],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H9NO.H2/c1-3-5(2)6-4-7;/h5H,3H2,1-2H3;1H/t5-;/m1./s1",78.86147,17.401870000000002,
11567,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2](/[C:3]([C:4]([H:14])([H:15])[H:16])=[N:5]\[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:18],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C4H9N.CO.H2/c1-3-4(2)5;1-2;/h5H,3H2,1-2H3;;1H/b5-4-;;",82.14027,32.6305,
11568,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])[C@:3]([C:4]([H:14])([H:15])[H:16])([H:13])[N:5]([H:17])[C@@:6]1([O:7][H:11])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H11NO/c1-3-4(2)6-5(3)7/h3-7H,1-2H3/t3-,4+,5+/m0/s1",98.31066,26.19396,
11569,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([N:5]([C:4]([H:14])([H:15])[H:16])[H:17])([C:6](=[O:7])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H11NO/c1-3-5(4-7)6-2/h4-6H,3H2,1-2H3/t5-/m1/s1",130.80826000000002,25.44679,
11570,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[C:4]([H:14])([H:15])[H:16])[H:13])[H:12])([H:8])([H:9])[H:10].[N:5](=[C:6](/[O:7][H:11])[H:18])\[H:17],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C4H8.CH3NO/c1-3-4-2;2-1-3/h3-4H,1-2H3;1H,(H2,2,3)/b4-3-;",61.84482,27.752229999999997,Retroene
11571,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])(/[N:5]=[C:6](/[O:7][H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1",44.82904,10.69871,ketoenol
11572,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2](/[C:3](=[N:5]\[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]([H:14])([H:15])([H:16])[H:18],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C3H7N.CO.CH4/c1-2-3-4;1-2;/h3-4H,2H2,1H3;;1H4/b4-3-;;",94.7569,26.49519,
11573,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3]([C:4]([H:14])([H:15])[H:16])=[N:5]/[C:6](=[O:7])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:17],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H9NO.H2/c1-3-5(2)6-4-7;/h4H,3H2,1-2H3;1H/b6-5+;",96.34481,30.40935,
11574,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])[C@:3]([C:4]([H:14])([H:15])[H:16])([H:13])[N:5]1[H:17])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:11])[H:18],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C4H9N.CH2O/c1-3-4(2)5-3;1-2/h3-5H,1-2H3;1H2/t3-,4+;",115.45068,54.679190000000006,
11575,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([N:5]([C+:6]([O-:7])[H:18])[H:17])[H:13])[H:12])([H:8])([H:9])[H:10].[C:4]([H:11])([H:14])([H:15])[H:16],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C4H7NO.CH4/c1-2-3-5-4-6;/h2-5H,1H3;1H4",112.7566,17.20222,
11576,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[N:5](=[C:6](/[O:7][H:14])[H:18])\[H:17],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C4H8.CH3NO/c1-3-4-2;2-1-3/h3H,1,4H2,2H3;1H,(H2,2,3)",62.240140000000004,29.687309999999997,Retroene
11577,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:15])([H:16])[C@@:6]([O:7][H:14])([H:18])[N:5]1[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H11NO/c1-2-4-3-5(7)6-4/h4-7H,2-3H2,1H3/t4-,5-/m0/s1",96.60750999999999,28.02018,
11578,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C4H11N.CO/c1-3-4(2)5;1-2/h4H,3,5H2,1-2H3;/t4-;/m1./s1",83.63639,14.12982,"1,2_Insertion_CO"
11579,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2](=[C:3]([C:4]([H:14])([H:15])[H:16])[N:5]([C+:6]([O-:7])[H:18])[H:17])([H:11])[H:12],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C4H7NO.CH4/c1-4(2)5-3-6;/h3,5H,1H2,2H3;1H4",115.07203,17.64524,
11580,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3](\[C:4]([H:14])([H:15])[H:16])(=[N:5]/[C:6](=[O:7])[H:18])[H:13].[H:9][H:17],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C3H5NO.C2H4.H2/c1-2-4-3-5;1-2;/h2-3H,1H3;1-2H2;1H/b4-2+;;",99.18288000000001,59.01361,
11581,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3](\[C:4]([H:14])([H:15])[H:16])(=[N:5]\[H:17])[H:13].[C:6](=[O:7])([H:9])[H:18],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C2H5N.C2H4.CH2O/c1-2-3;2*1-2/h2-3H,1H3;1-2H2;1H2/b3-2-;;",91.7502,62.79022,
11582,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O+:7]=[C:6]([N:5]([C-:3]([C:4]([H:14])([H:15])[H:16])[H:13])[H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H11NO/c1-3-6-5-7-4-2/h3,5-6H,4H2,1-2H3",101.47083,72.7445,
11583,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C-:3]([N:5]([C:6](=[O+:7][C:4]([H:14])([H:15])[H:16])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H11NO/c1-3-4-6-5-7-2/h4-6H,3H2,1-2H3",104.83612,76.29141,
11584,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]2[C:4]([H:13])([H:14])[C@@:5]12[N:6]([O:7][H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-3-4(5-7)2-6(3)4/h3,5,7H,2H2,1H3/t3-,4+,6?/m1/s1",83.04785,33.063109999999995,
11585,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])[C@@:5]1([N:6]=[O:7])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3-5H,2H2,1H3/t3-,4+/m1/s1",75.25413,13.318620000000001,ketoenol
11586,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[N:6]([O:7][H:15])[C:5]1=[C:4]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-3-4(2)6(7)5-3/h3,5,7H,2H2,1H3/t3-/m1/s1",81.57433,26.140829999999998,
11587,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]([C:4]([H:13])([H:14])[H:15])[H:12])([C:5]#[N+:6][O-:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-4(5-2)3-6-7/h4-5H,1-2H3/t4-/m1/s1",67.6172,5.706169999999999,
11588,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([N+:3]1([H:12])[C-:2]([H:11])[C:5](=[N:6][O:7][H:15])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-6-2-4(3-6)5-7/h2,6-7H,3H2,1H3",110.17432,49.8165,
11589,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N+:3]([H:12])([H:15])[C:4]([H:13])([H:14])[C:5]1=[N:6][O-:7])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/t3-/m1/s1",72.42636,47.71974,
11590,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]([C:4][H:13])[H:12])(/[C:5](=[N:6]/[O:7][H:15])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-4(5-2)3-6-7/h2-5,7H,1H3/b6-3+/t4-/m1/s1",70.46361,33.45,
11591,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])[C+:5]1[N:6]([O-:7])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5-6H,2H2,1H3/t3-/m1/s1",54.431940000000004,17.53709,
11592,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:5]=[N:6][O:7][H:15])[H:11])([H:8])([H:9])[H:10].[N:3](=[C:4]([H:13])[H:14])[H:12],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C3H5NO.CH3N/c1-2-3-4-5;1-2/h2,5H,1H3;2H,1H2",67.78317,26.03526,
11593,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([N:6]([O:7][H:15])[H:11])[C:4]([H:13])([H:14])[N:3]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h5-7H,2H2,1H3",89.68075,15.1227,
11594,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C+:2]1[N:3]([H:12])[C:4]([H:13])=[C:5]1[N-:6][O:7][H:15])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H6N2O.H2/c1-3-4(6-7)2-5-3;/h2,5,7H,1H3;1H",83.47031,72.39537,
11595,[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([O:7][H:21])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C:4]([C:5]([C:6]([O:7][H:21])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])[H:12])([H:9])[H:10].[H:8][H:11],"InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3","InChI=1S/C6H12O.H2/c1-2-3-4-5-6-7;/h2,7H,1,3-6H2;1H",113.9346,30.765940000000004,
11596,[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([O:7][H:21])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:13])([H:14])[H:20])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]1([H:15])([H:16])[C:5]([H:17])([H:18])[C:6]1([O:7][H:21])[H:19],"InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3","InChI=1S/C3H6O.C3H8/c4-3-1-2-3;1-3-2/h3-4H,1-2H2;3H2,1-2H3",115.52356,24.68319,
11597,[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([O:7][H:21])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5](=[C:6]([H:19])[H:20])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:17])[H:21],"InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3","InChI=1S/C6H12.H2O/c1-3-5-6-4-2;/h3H,1,4-6H2,2H3;1H2",67.69651999999999,9.878260000000001,"1,3_Insertion_ROR"
11598,[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([O:7][H:21])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[H:19])([H:17])[H:20])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:18][H:21],"InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3","InChI=1S/C6H12O.H2/c1-2-3-4-5-6-7;/h6H,2-5H2,1H3;1H",94.2864,16.58858,
11599,[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([O:7][H:21])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C:2](=[C:3]([C:4]([C:5]([C:6]([O:7][H:21])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12],"InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3","InChI=1S/C5H10O.CH4/c1-2-3-4-5-6;/h2,6H,1,3-5H2;1H4",116.18876000000002,18.12357,
11600,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1]([C+:2]=[C:6]([O:5][C:4](=[C:3]([H:10])[H:11])[H:12])[O-:7])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c1-2-7-4(6)3-5/h2H,1,5H2",39.06824,22.65902,
11601,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:11])[C:4]([H:10])([H:12])[O:5][C:6]1=[O:7])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c5-3-1-2-7-4(3)6/h1H,2,5H2",67.73524,-38.23019,
11602,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1]([C:2][C:3]([C@@:4]1([H:12])[O:5][C:6]1=[O:7])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c5-2-1-3-4(6)7-3/h3H,1,5H2/t3-/m1/s1",50.33654,37.24242,
11603,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1](=[C:2](/[C:3]([C:4](=[O:5])[H:12])([H:10])[H:11])[C:6](=[O:7])[H:9])\[H:8],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c5-4(3-7)1-2-6/h2-3,5H,1H2/b5-4-",114.5299,-11.54685,
11604,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1]([C:2]([C@@:4]1([H:12])[C:3]([H:10])([H:11])[O:5]1)=[C:6]=[O:7])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c5-3(1-6)4-2-7-4/h4H,2,5H2/t4-/m1/s1",82.05072,19.14752,
11605,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N+:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O+:5]=[C-:6]2)([O-:7])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c6-5-4-1-3(4)7-2-4/h3H,1,5H2/t3-,4+/m1/s1",163.74312,136.924,
11606,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1]([C@:2]1([H:11])[C@:4]([C:3][H:10])([H:12])[O:5][C:6]1=[O:7])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c1-2-3(5)4(6)7-2/h1-3H,5H2/t2-,3-/m1/s1",64.77757,62.593680000000006,
11607,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1]([C:2]1=[C:4]([H:12])[C:3]1([H:10])[H:11])([H:8])[H:9].[O:5]=[C:6]=[O:7],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C3H5N.CO2/c4-3-1-2-3;2-1-3/h1H,2,4H2;",52.46516999999999,-3.53474,2+2_cycloaddition
11608,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1](=[C:2](\[C:6]([O:5][C:4](=[C:3]([H:10])[H:11])[H:12])=[O:7])[H:8])\[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c1-2-7-4(6)3-5/h2-3,5H,1H2/b5-3-",93.14301,-5.4055,
11609,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N+:1]1([H:8])([H:9])[C:2]2=[C:6]([O-:7])[O:5][C@:4]2([H:12])[C:3]1([H:10])[H:11],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c6-4-3-2(7-4)1-5-3/h2,5-6H,1H2/t2-/m1/s1",75.1736,49.13668,
11610,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N+:1]([C@:2]12[C:3]([H:10])([H:11])[C-:4]1[O:5][C:6]2=[O:7])([H:8])([H:9])[H:12],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H4NO2/c5-4-1-2(4)7-3(4)6/h1,5H2/q-1/p+1/t4-/m1/s1",80.56279,68.1037,
11611,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1]([C:2]([C:3]([C:4](=[O:5])[H:12])([H:10])[H:11])=[C:6]=[O:7])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c5-4(3-7)1-2-6/h2H,1,5H2",24.83438,-3.6328699999999996,
11612,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[C-:6]#[O+:7].[N:1]([C:2](=[C:3]([H:10])[H:11])[C:4](=[O:5])[H:12])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C3H5NO.CO/c1-3(4)2-5;1-2/h2H,1,4H2;",53.21074,-12.583169999999999,
11613,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1]([C@@:2]1([H:12])[C:3]([H:10])([H:11])[C-:4]=[O+:5][C:6]1=[O:7])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c5-3-1-2-7-4(3)6/h3H,1,5H2/t3-/m0/s1",54.185,21.07595,
11614,[C:1](#[C:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([C:6]1([H:12])[H:13])[C:7]2([H:14])[H:15])[H:8],[C:1](#[C:2][C:3]1([C:6]([H:11])([H:12])[H:13])[C:4]([H:9])([H:10])[C:5][C:7]1([H:14])[H:15])[H:8],"InChI=1S/C7H8/c1-2-7-3-6(4-7)5-7/h1,6H,3-5H2","InChI=1S/C7H8/c1-3-7(2)5-4-6-7/h1H,5-6H2,2H3",71.98040999999999,51.8647,
11615,[C:1](#[C:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([C:6]1([H:12])[H:13])[C:7]2([H:14])[H:15])[H:8],[C:1](=[C:2])([C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([C:6]1([H:12])[H:13])[C:7]2([H:14])[H:15])[H:8],"InChI=1S/C7H8/c1-2-7-3-6(4-7)5-7/h1,6H,3-5H2","InChI=1S/C7H8/c1-2-7-3-6(4-7)5-7/h2,6H,3-5H2",58.671009999999995,49.27084,Singlet_Carbene_Intra_Disproportionation
11616,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][N:4]=[C:3]=[C:7]([C:6](=[N:5][H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-6-4-2-3-5/h2-3,5H,1H3",105.21558,64.39171,
11617,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C+:7][C:6]([H:12])([H:13])[N:5]([H:11])[N-:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h5H,3H2,1H3",79.11949,80.37951,Singlet_Carbene_Intra_Disproportionation
11618,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:7](=[C:3]=[N:4][N:5]([C:6][H:12])[H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-5-6-3-4-7-2/h1,4-5H,2H3",158.25216,105.83123,
11619,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][c:3]1[n:4]([H:11])[n:5][c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)",47.76439,5.59143,
11620,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[N:4]/[N:5]([H:11])[H:12])[C:6]#[C:7][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-4(6-5)7-2/h1H,5H2,2H3/b6-4+",128.70362,52.3829,
11621,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]#[N+:4][N-:5][H:11])([H:8])([H:9])[H:10].[C:6](#[C:7][H:13])[H:12],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C2H4N2O.C2H2/c1-5-2-4-3;1-2/h3H,1H3;1-2H",122.07231999999999,112.86072,
11622,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([n:4]1[c:3](=[O:2])[c:7]([H:13])[c:6]([H:12])[n:5]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-6-4(7)2-3-5-6/h2-3,5H,1H3",70.49928,-0.18045999999999998,ketoenol
11623,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:7]=[C:6]([H:12])[N:5]([H:11])[N:4]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h3,5-6H,1H3",105.20798,67.36273,
11624,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:8])[H:9].[c:3]1([H:10])[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C3H4N2.CH2O/c1-2-4-5-3-1;1-2/h1-3H,(H,4,5);1H2",112.23298,13.00479,
11625,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[N:4][C@:7]1(/[C:6](=[N:5]/[H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-3(2-5)6-4/h2-3,5H,1H3/b5-2+/t3-/m0/s1",88.64941999999999,40.38973,
11626,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:7]([H:13])[C:6]([H:11])([H:12])[N:5]=[N:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2H,3H2,1H3",49.57978,29.00657,
11627,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[N:4][N:5]([H:11])[C:6][C:7]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h5H,2H2,1H3",64.33341999999999,47.02969,Singlet_Carbene_Intra_Disproportionation
11628,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[N:4][N+:5]([H:11])([H:12])[C-:6]=[C:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2H,5H2,1H3",83.25332,66.84501999999999,
11629,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:3][H:12])[C:4]([H:11])([H:13])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-5(2)3-4(6)7-5/h1H,3H2,2H3/t5-/m1/s1",64.86501,62.71865,
11630,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[C:5]=[O:6])[H:13])([H:11])[H:12])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-5(7)3-2-4-6/h2H,3H2,1H3",23.53685,-10.5981,
11631,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]1=[C:5]([O:6][H:13])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h6H,2H2,1H3/t5-/m0/s1",88.99488000000001,60.71827,ketoenol
11632,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:13])[C:3]([H:11])([H:12])[C+:4]=[C:5]([O-:6])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h4H,2H2,1H3/t4-/m0/s1",64.96446999999999,51.6255,
11633,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1]([C:2]([C:4](=[C:3]([H:11])[H:12])[H:13])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C4H6O.CO/c1-3-4(2)5;1-2/h3H,1H2,2H3;",59.91874,-10.80947,
11634,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@:4]([C:3][H:12])([H:13])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-3-4(2)7-5(3)6/h1,3-4H,2H3/t3-,4-/m1/s1",71.29064,69.92504,
11635,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:3]([C@:4]1([H:13])[C-:2]=[O+:7][C:5]1=[O:6])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-2-4-3-7-5(4)6/h4H,2H2,1H3/t4-/m1/s1",91.1356,39.34897,
11636,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:4](=[C:5]=[O:6])[H:13])[C:3]([H:11])([H:12])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-5(2-3-6)4-7-5/h2H,4H2,1H3/t5-/m1/s1",82.10308,13.03995,
11637,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[C:4]([C:5](=[O:6])[H:15])([H:12])([H:13])[H:14].[O:1]([C:2]([C:3](=[C:7]([H:16])[H:17])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h2,4H,1,3H2;2H,1H3",90.22284,16.83972,
11638,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13].[O:1]([C:2]([C:3]([C:7](=[O:6])[H:16])([H:11])[H:17])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C3H6O2.C2H4/c4-2-1-3-5;1-2/h2,5H,1,3H2;1-2H2",89.63679,19.94081,
11639,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([C:5]([O+:6]=[C-:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:11])[H:17])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h1,6H,2-5H2",81.70933000000001,63.2369,
11640,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[C:3]1([H:11])=[C:4]([H:12])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17].[H:8][H:13].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C4H6O.CH2O.H2/c1-2-4-5-3-1;1-2;/h1-2H,3-4H2;1H2;1H",85.20529,44.96374,
11641,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[H:9][H:17].[O:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C@@:7]12[H:16])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H8O2.H2/c6-4-3-1-2-7-5(3)4;/h3-6H,1-2H2;1H/t3-,4+,5-;/m1./s1",109.42213999999998,34.646679999999996,
11642,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[H:16][H:17].[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O+:6]=[C-:7]1)([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H8O2.H2/c6-3-5-1-2-7-4-5;/h5-6H,1-3H2;1H/t5-;/m1./s1",81.78305,62.93801,
11643,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:11])([H:14])[H:15])([H:12])[H:13])=[C:7]([H:16])[H:17])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-5(4-7)2-3-6/h6-7H,1-4H2",84.17093,6.45179,
11644,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:15])([C:7]([O+:6]=[C-:5][H:14])([H:16])[H:17])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h2,5-6H,3-4H2,1H3/t5-/m1/s1",82.73921999999999,63.3548,
11645,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[C:2]1([H:9])([H:10])[C@:3]2([H:11])[C@@:4]1([H:12])[C:5]([H:14])([H:15])[O:6][C:7]2([H:16])[H:17].[O:1]([H:8])[H:13],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H8O.H2O/c1-4-2-6-3-5(1)4;/h4-5H,1-3H2;1H2/t4-,5+;",91.94685,12.9609,
11646,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[H:14][H:16].[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C-:5]([H:15])[O+:6]=[C:7]1[H:17])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H8O2.H2/c6-3-5-1-2-7-4-5;/h2,4-6H,1,3H2;1H/t5-;/m1./s1",85.16498,80.06849,
11647,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[O:1]=[C:2]([C:3]([C:7]([O:6][C:5]([C:4]([H:8])([H:12])[H:13])([H:14])[H:15])([H:16])[H:17])([H:10])[H:11])[H:9],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-7-5-3-4-6/h4H,2-3,5H2,1H3",96.84793,3.63026,
11648,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[H:13][H:15].[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])=[C:5]([H:14])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H8O2.H2/c6-3-5-1-2-7-4-5;/h1-2,5-6H,3-4H2;1H/t5-;/m1./s1",111.15861000000001,25.31805,
11649,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([O:6][C:7]([H:14])([H:16])[H:17])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1",130.40045,22.8588,
11650,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[H:14][H:15].[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C-:5]=[O+:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H8O2.H2/c6-3-5-1-2-7-4-5;/h5-6H,1,3-4H2;1H/t5-;/m1./s1",82.41008000000001,63.9033,
11651,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[C:2]([H:9])[H:10].[O:1]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C4H8O2.CH2/c5-4-1-2-6-3-4;/h4-5H,1-3H2;1H2/t4-;/m0./s1",125.11966000000001,109.0484,
11652,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[C:2](=[C:3]1[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10].[O:1]([H:8])[H:11],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1",InChI=1S/C5H8O.H2O/c1-5-2-3-6-4-5;/h1-4H2;1H2,69.46845,8.60539,"1,3_Insertion_ROR"
11653,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[O:1](/[C:2](=[C:3](/[C:4]([C:5]([O:6][C:7]([H:9])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])[H:11])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h2,4,6H,3,5H2,1H3/b4-2+",108.75918999999999,14.639629999999999,
11654,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4](=[C:5]([H:14])[H:15])[H:12])([C:7]([O:6][H:13])([H:16])[H:17])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-5(3-6)4-7/h2,5-7H,1,3-4H2",82.74379,8.252939999999999,
11655,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[H:8][H:11].[O:1]=[C:2]([C@:3]1([H:9])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])[H:10],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H8O2.H2/c6-3-5-1-2-7-4-5;/h3,5H,1-2,4H2;1H/t5-;/m0./s1",91.61962,17.44667,
11656,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[C:4](/[C:5]([H:12])([H:14])[H:15])[H:13])[H:11])([H:9])[H:10])[H:8].[O:6]=[C:7]([H:16])[H:17],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-2-3-4-5;1-2/h2-3,5H,4H2,1H3;1H2/b3-2+;",87.64998,23.06941,
11657,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@:5]1([C:6][H:10])[O:7][H:11],InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,"InChI=1S/C4H4O3/c1-4(6)2-7-3(4)5/h1,6H,2H2/t4-/m0/s1",72.29157,68.79643,
11658,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C-:5]=[O+:7][C:6]1([H:10])[H:11],InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,InChI=1S/C4H4O3/c5-4-3-6-1-2-7-4/h2-3H2,74.87664000000001,26.1994,
11659,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O+:1]#[C-:2].[O:3]=[C:4]([C@@:5]1([H:8])[C:6]([H:10])([H:11])[O:7]1)[H:9],InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,"InChI=1S/C3H4O2.CO/c4-1-3-2-5-3;1-2/h1,3H,2H2;/t3-;/m0./s1",73.90616,4.52752,
11660,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O:1]1[C@:2]2([O:3][C:4]2([H:8])[H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,"InChI=1S/C4H4O3/c1-3(5-1)4(7-3)2-6-4/h1-2H2/t3-,4+",86.37061,51.79883,
11661,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]1([O+:7]=[C-:6][H:10])[H:11],InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,"InChI=1S/C4H4O3/c1-6-3-2-7-4(3)5/h1,3H,2H2/t3-/m0/s1",81.0657,50.58412,
11662,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O:1]=[C:2]([O+:3]=[C-:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1,InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,"InChI=1S/C4H4O3/c1-6-4(5)3-2-7-3/h1,3H,2H2/t3-/m1/s1",86.6589,60.49275,
11663,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O:1]=[C:2]=[C:5]1[C:6]([H:10])([H:11])[O:7]1.[O:3]=[C:4]([H:8])[H:9],InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,InChI=1S/C3H2O2.CH2O/c4-1-3-2-5-3;1-2/h2H2;1H2,65.55541,54.2284,2+2_cycloaddition
11664,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O:1]=[C:2]1[C:5]2([O:3][C:4]2([H:8])[H:9])[O:7][C:6]1([H:10])[H:11],InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,InChI=1S/C4H4O3/c5-3-1-6-4(3)2-7-4/h1-2H2,78.52049,15.320079999999999,
11665,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O-:1][C:2]1=[C:5]([O+:7]=[C:6]([H:10])[H:11])[C:4]([H:8])([H:9])[O:3]1,InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,InChI=1S/C4H4O3/c1-6-3-2-7-4(3)5/h1-2H2,60.48628000000001,45.66218,
11666,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[C:3]1([H:9])([H:11])[C:4]([H:12])([H:13])[C:5]1([C:6]#[C:7][H:15])[H:14].[O:1]([C:2][H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C5H6.CH2O/c1-2-5-3-4-5;1-2/h1,5H,3-4H2;1-2H",87.74424,71.38611,
11667,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C@:7]1([H:15])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]1)([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c7-3-5-1-4-2-6(4)5/h4-7H,2-3H2/t4-,5-,6+/m1/s1",136.43798999999999,42.855509999999995,
11668,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:7](=[C:6])[H:15])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h2,5-7H,3-4H2/t5-,6-/m1/s1",61.32662,50.21119,Singlet_Carbene_Intra_Disproportionation
11669,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]1=[C:6]=[C:7]([H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h6-7H,1,3-4H2/t6-/m1/s1",92.27736,7.39924,
11670,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1](/[C:2](=[C:3](/[C:4]([C:5](=[C:6]=[C:7]([H:9])[H:15])[H:14])([H:12])[H:13])[H:11])[H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h3,5-7H,1,4H2/b6-5+",43.83883,-8.40926,
11671,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1](/[C:2](=[C:3](/[C:4]([C:5]1([H:14])[C:6]([H:9])=[C:7]1[H:15])([H:12])[H:13])[H:11])[H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c7-5-1-2-6-3-4-6/h1,3-7H,2H2/b5-1+",78.86069,13.04612,
11672,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]1=[C:7]([H:8])[H:15],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-4-6-2-5(6)3-7-4/h5-6H,1-3H2/t5-,6+/m1/s1",59.172290000000004,-26.05995,
11673,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]([C@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]1=[C:7]([H:9])[H:15])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-3-4-2-5(4)6(3)7/h4-7H,1-2H2/t4-,5-,6-/m0/s1",88.30959,-5.5292,
11674,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C-:5]=[C:6]=[C+:7][H:15])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-3-4-6(2)5-7/h1,6-7H,5H2,2H3/t6-/m0/s1",66.18648,57.472319999999996,
11675,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]=[C:2]([C:3]([C@@:5]([C:4]([H:8])([H:12])[H:13])([C:6]#[C:7][H:15])[H:14])([H:10])[H:11])[H:9],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-3-6(2)4-5-7/h1,5-6H,4H2,2H3/t6-/m0/s1",79.59187,-13.929179999999999,
11676,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[C@@:3]12([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[C:6]2=[C:7]([H:8])[H:15].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C5H6.CH2O/c1-3-4-2-5(3)4;1-2/h4-5H,1-2H2;1H2/t4-,5+;",66.12964000000001,29.77232,
11677,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5](=[C:6]([H:19])[H:20])[C:7]([H:21])([H:22])[H:23])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:17][H:18],"InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3/t7-/m1/s1","InChI=1S/C7H14.H2/c1-5-7(4)6(2)3;/h7H,2,5H2,1,3-4H3;1H/t7-;/m1./s1",109.25589,27.93589,
11678,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3](=[C:4]([H:14])[H:16])([C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])[H:13].[H:9][H:15],"InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3/t7-/m1/s1","InChI=1S/C5H10.C2H4.H2/c1-4-5(2)3;1-2;/h4-5H,1H2,2-3H3;1-2H2;1H",95.88835,53.04233000000001,
11679,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5][C:7]([H:21])([H:22])[H:23])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([H:17])([H:18])([H:19])[H:20],"InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3/t7-/m1/s1","InChI=1S/C6H12.CH4/c1-4-6(3)5-2;/h6H,4H2,1-3H3;1H4/t6-;/m1./s1",92.56355,87.78823,
11680,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4]([H:14])([H:15])[H:16])[H:13])[H:11])([H:8])([H:9])[H:10].[C:5](=[C:6]([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17].[H:12][H:18],"InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3/t7-/m1/s1","InChI=1S/C4H8.C3H6.H2/c1-3-4-2;1-3-2;/h3-4H,1-2H3;3H,1H2,2H3;1H/b4-3+;;",96.01357,47.53864,
11681,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]([H:13])([H:14])([H:15])[H:16],"InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3/t7-/m1/s1","InChI=1S/C6H12.CH4/c1-4-5-6(2)3;/h6H,4H2,1-3H3;1H4",93.09228,88.98419,
11682,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:14])/[C:5](=[N:6]\[H:13])[O:4][C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5+",94.21246,2.56062,
11683,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:7]([C:2]#[C:3][H:11])([C:5](=[O:4])[N:6]([H:12])[H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-3-4(2)5(6)7/h1,4H,2H3,(H2,6,7)/t4-/m0/s1",109.62252,13.621379999999998,
11684,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C-:3]([H:11])[O+:4]=[C:5]([N:6]([H:12])[H:13])[C:7]1([H:8])[H:14])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h3H,1-2,6H2",97.09792,61.10041,
11685,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:8])([H:11])[O:4][C:5]([N:6]([H:12])[H:13])=[C:7]1[H:14])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2H,1,3,6H2",85.39226,10.55223,
11686,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3](=[O:4])[H:11])[C:5]([N:6]([H:12])[H:13])=[C:7]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-5(3-7)2-4(5)6/h2-3H,6H2,1H3/t5-/m1/s1",63.71699,45.36407,ketoenol
11687,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C@@:7]1([C:5](=[O:4])[N:6]([H:12])[H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-3-2-4(3)5(6)7/h2,4H,1H3,(H2,6,7)/t4-/m0/s1",72.73131,25.341829999999998,ketoenol
11688,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[O:4]/[C:5](=[N:6]/[H:13])[C:7]1([H:12])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h3,6H,2H2,1H3/b6-5+",73.49189,5.29405,
11689,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[O+:4][C:5]([N:6]([H:12])[H:13])=[C:7]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,4H,6H2,1H3/t4-/m1/s1",60.34945,56.97395,Singlet_Carbene_Intra_Disproportionation
11690,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C:7](=[C:2]=[C:3]([O+:4]=[C-:5][N:6]([H:12])[H:13])[H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-2-3-4-7-5-6/h2,4H,6H2,1H3",137.13478999999998,66.66678,
11691,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:3][O+:4]=[C:5]([N:6]([H:12])[H:13])[C:7]1([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H2,1H3",87.06376,57.80899,
11692,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[O:4])[H:11])([H:8])([H:9])[H:10].[C:5]([N:6]([H:12])[H:13])#[C:7][H:14],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C3H4O.C2H3N/c1-2-3-4;1-2-3/h2H,1H3;1H,3H2",115.1434,57.27089,
11693,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]=[C:7]([C:5](=[O:4])[N:6]([H:12])[H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-2-3-4-5(6)7/h2,4H,1H3,(H2,6,7)",75.20169,11.10627,
11694,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C:2]([H:10])=[N:3][C:4]([H:11])([H:12])[C:5]12[C:6]([H:13])([H:14])[C:7]2([H:15])[H:16],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-2-6(1)3-4-7-5-6/h4H,1-3,5H2",82.76312,-40.70067,
11695,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:9])=[N:3][C@:2]1([C:5]1([C:4]([H:8])([H:11])[H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])[H:10],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-6(2-3-6)5-4-7-5/h4-5H,2-3H2,1H3/t5-/m1/s1",70.24224,-6.83385,
11696,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:9])=[C:2]([H:10])[N:3]1[C:4]([C:5]([C:6]([H:8])([H:13])[H:14])=[C:7]([H:15])[H:16])([H:11])[H:12],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-6(2)5-7-3-4-7/h3-4H,1,5H2,2H3",93.35769,30.06972,
11697,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C-:1]([N+:3]1=[C:2]([H:10])[C:5]2([C:4]1([H:11])[H:12])[C:6]([H:13])([H:14])[C:7]2([H:15])[H:16])([H:8])[H:9],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-7-4-6(5-7)2-3-6/h4H,1-3,5H2",58.72205,19.39047,
11698,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1](=[N:3][C:4]([C:5]1([C:2][H:10])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])[H:9],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-6(3-4-6)5-7-2/h1H,2-5H2",68.29718000000001,50.53818,
11699,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C@@:2]2([C:7]([H:10])([H:15])[H:16])[N:3]1[C:4]([H:11])([H:12])[C:5]2=[C:6]([H:13])[H:14],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-5-3-7-4-6(5,7)2/h1,3-4H2,2H3/t6-,7?/m1/s1",101.58601999999999,-11.89739,
11700,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N+:3]1([H:12])[C-:4]([H:11])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h4-5,7H,1-3H2/t5-/m1/s1",85.53756,59.40235,
11701,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]([C:2](=[C:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])[H:10])([N:3]=[C:4]([H:11])[H:12])([H:8])[H:9],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-7-5-4-6-2-3-6/h4H,1-3,5H2",52.376459999999994,-9.487260000000001,
11702,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])=[C:5]2[H:12].[C:6](=[C:7]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C4H5N.C2H4/c1-2-5-3-4(1)5;1-2/h1-2,4H,3H2;1-2H2/t4-,5?;/m0./s1",109.75200000000001,28.479540000000004,
11703,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C:2][C:5]2([C:4]([H:11])([H:12])[N:3]1[H:10])[C:6]([H:13])([H:14])[C:7]2([H:15])[H:16],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-2-6(1)3-4-7-5-6/h7H,1-2,4-5H2",57.85004,28.922890000000002,
11704,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1](=[N:3][C@@:2]1([H:10])[C:4]([H:11])([H:12])[C:5]12[C:6]([H:13])([H:14])[C:7]2([H:15])[H:16])([H:8])[H:9],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-7-5-4-6(5)2-3-6/h5H,1-4H2/t5-/m0/s1",70.1674,-9.9247,
11705,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:12])=[C:5]2[C:6](=[C:7]([H:15])[H:16])[H:13].[H:11][H:14],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H7N.H2/c1-2-5-3-7-4-6(5)7;/h2-3,6H,1,4H2;1H/t6-,7?;/m1./s1",113.36091,30.2884,
11706,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C-:1]1([H:8])[C@@:2]2([H:10])[N+:3]1([H:9])[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h3,5,7H,1-2,4H2/t5-/m1/s1",63.78821,48.98705,
11707,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C-:2]([H:10])[N+:3]12[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-2-6(1)5-7(6)3-4-7/h3H,1-2,4-5H2",96.07183,69.87222,
11708,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1](=[C:2]([N:3]1[C:4]([H:11])([H:12])[C:5]12[C:6]([H:13])([H:14])[C:7]2([H:15])[H:16])[H:10])([H:8])[H:9],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-2-7-5-6(7)3-4-6/h2H,1,3-5H2",73.38409,-0.08945,
11709,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C+:2]2[N:3]1[C:4]([H:11])([H:12])[C@@:5]21[C-:6]([H:14])[C:7]1([H:15])[H:16].[H:10][H:13],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H7N.H2/c1-2-6(1)4-7-3-5(6)7;/h1H,2-4H2;1H/t6-,7?;/m0./s1",124.0801,123.00348000000001,
11710,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[O+:4][C:5]([H:12])=[C:6]1[N-:7][H:13])([H:8])[H:10].[H:9][H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H5NO.H2/c1-4-2-7-3-5(4)6;/h2-3,6H,1H2;1H",97.39274,81.45536,
11711,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:12])[C-:3]([H:11])[O+:4]=[C:5]=[C:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2,4H,6H2,1H3/t4-/m1/s1",91.99993,80.45512,
11712,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[O:4])[H:11])([H:8])([H:9])[H:10].[C:5](#[C:6][N:7]([H:13])[H:14])[H:12],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C3H4O.C2H3N/c1-2-3-4;1-2-3/h2H,1H3;1H,3H2",112.73931,52.84008000000001,
11713,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C-:2]1[C:6](=[C:5]([O+:4]=[C-:3][H:11])[H:12])[N+:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-5(6-4)3-7-2/h2-3H,6H2,1H3",150.76956,152.41699,
11714,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([N:7]([H:13])[H:14])[C@@:5]2([H:12])[C@:3]1([H:11])[O:4]2)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-2-3(6)5-4(2)7-5/h4-5H,6H2,1H3/t4-,5+/m1/s1",93.58713,56.77052,Intra_2+2_cycloaddition_Cd
11715,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:9])([H:11])[O:4][C:5]([H:12])=[C:6]1[N:7]([H:13])[H:14])([H:8])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h3H,1-2,6H2",91.93113000000001,17.0357,
11716,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:6](=[C:2]=[C:3]([O+:4]=[C-:5][H:12])[H:11])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-5(6)3-4-7-2/h2,4H,6H2,1H3",162.86163,95.44803,
11717,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:5](=[O:4])[H:12])[H:11])[C:6][N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h2-3H,6H2,1H3/b5-2-",82.06453,44.20227,
11718,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]=[C:6]([C:5](=[O:4])[H:12])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-2-3-5(6)4-7/h2,4H,6H2,1H3",79.47534,28.81028,
11719,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[O+:4][C:5]([H:12])=[C:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h3-4H,6H2,1H3/t4-/m0/s1",64.7275,56.93725,Singlet_Carbene_Intra_Disproportionation
11720,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([O-:4])[H:11])[C:6]1=[C:5]([H:12])[N+:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4(3-7)5-2-6-5/h2-3,6-7H,1H3",79.56905,75.69606999999999,
11721,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[o:4][c-:5][c:6]1[N+:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H6NO/c1-4-2-7-3-5(4)6/h2H,6H2,1H3/q-1/p+1",77.96568,71.02892,
11722,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3](=[O:4])[H:11])[C:5]([H:12])=[C:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-5(3-7)2-4(5)6/h2-3H,6H2,1H3/t5-/m0/s1",79.86859,41.772040000000004,ketoenol
11723,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[O:4][C:5]([H:12])([H:13])/[C:6]1=[N:7]/[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2,6H,3H2,1H3/b6-5-",73.31693,5.26016,
11724,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([N+:7]([C:6]1=[C:2]=[C:3]([H:11])[O:4][C-:5]1[H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H6NO/c1-6-5-2-3-7-4-5/h3-4,6H,1H3/q-1/p+1",122.71266000000001,82.74148000000001,
11725,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[O+:4]=[C-:5][C@@:6]1([N:7]([H:13])[H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2,5H,6H2,1H3/t5-/m0/s1",63.471740000000004,61.09911999999999,Singlet_Carbene_Intra_Disproportionation
11726,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:7]1([H:14])[C@@:4]2([H:12])[C@:3]3([H:11])[C@@:5]2([H:13])[N:6]31)([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-2-3-4-5-6(4)7(3)5/h3-6H,1H3/t3-,4-,5+,6-,7?/m0/s1",92.60204,65.89912,
11727,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]([H:12])([C@:5]3([H:13])[N:6]1[H:14])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-6-2-3-4(6)5(3)7-6/h3-5,7H,1H3/t3-,4+,5-,6+/m0/s1",50.93373,7.171069999999999,
11728,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C@:3]3([H:11])[C@:5]([H:13])([C:4]([H:12])=[C:7]1[H:14])[N:6]23)([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-6-3-2-4-5(6)7(4)6/h2-5H,1H3/t4-,5-,6+,7?/m0/s1",45.42732,-41.04472,
11729,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C@:3]3([H:11])[C:4][C@@:7]1([H:14])[N:6]2[C:5]3([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-6-4-2-5(6)7(6)3-4/h4-5H,3H2,1H3/t4-,5-,6+,7?/m1/s1",54.422819999999994,12.4696,
11730,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C@:3]3([H:11])[C:4]([H:12])=[C:7]([H:14])[N:6]1[C@:5]23[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-6-4-2-3-7(6)5(4)6/h2-5H,1H3/t4-,5+,6-,7?/m1/s1",55.88933000000001,-27.314690000000002,
11731,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([N:6]1[C@:5]2([H:13])[C@:3]3([H:11])[C:2][C@@:7]1([H:14])[C@@:4]32[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-7-4-2-3-5(4)6(3)7/h3-6H,1H3/t3-,4+,5-,6-/m1/s1",93.53703,16.55896,
11732,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([C:2][C@:3]1([H:11])[C@@:4]2([H:12])[C@:5]1([H:13])[N:6]=[C:7]2[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-2-4-5-3-7-6(4)5/h3-6H,1H3/t4-,5+,6-/m1/s1",65.79081,39.83562,
11733,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[c:5]([H:13])[c:4]([H:12])[c:7]([H:14])[n:6]1)([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3",53.82431999999999,-113.54018,
11734,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C@@:4]2([H:12])[C@@:5]3([H:13])[N:6]1[C@@:7]23[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-3-2-4-5-6(4)7(3)5/h2,4-6H,1H3/t4-,5+,6-,7?",55.808769999999996,-27.044490000000003,
11735,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10].[C:3](=[O:4])([H:11])[H:12],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C4H6O.CH2O/c1-3-2-4(3)5;1-2/h2,4-5H,1H3;1H2/t4-;/m1./s1",73.33681999999999,20.69485,2+2_cycloaddition
11736,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6][O:7][H:15])[H:13])([H:8])[H:9].[H:10][H:14],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2.H2/c1-4-3-7-5(4)2-6;/h5-6H,1,3H2;1H/t5-;/m0./s1",110.9483,58.930519999999994,
11737,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:6]([O:7][H:15])([H:13])[H:14])[C:3]([H:11])([H:12])[O+:4]=[C-:5]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-5(2-6)3-7-4-5/h6H,2-3H2,1H3/t5-/m0/s1",53.55013,28.285559999999997,
11738,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:7][H:15])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[C:6]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-5(6)2-3-7-4-5/h2-3,6H,4H2,1H3/t5-/m1/s1",88.00757,-34.773590000000006,
11739,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:13])[C:3]([H:11])([H:12])[O+:4]=[C-:5][C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-2-7-3-5(4)6/h4-6H,2H2,1H3/t4-,5+/m0/s1",56.739230000000006,10.89432,
11740,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2.H2/c1-2-3(6)5-4(2)7-5;/h3-6H,1H2;1H/t3-,4+,5-;/m0./s1",102.33809000000001,26.843459999999997,
11741,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@:5]([O+:4]=[C-:3][H:12])([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-3-4(6)5(3)7-2/h2-6H,1H3/t3-,4-,5+/m0/s1",82.68138,47.77187,
11742,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]([O:4][H:15])([H:11])[H:12])=[C:5](/[C:6](=[O:7])[H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-5(4-7)2-3-6/h2-3,7H,4H2,1H3/b5-2-",61.714319999999994,-34.19153,
11743,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:6][O:7][H:15])[C:3]([H:11])([H:12])[O:4][C:5]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-5(2-6)3-7-4-5/h6H,3-4H2,1H3",58.57903,35.34421,
11744,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([O:4]/[C:5](=[C:6](\[O:7][H:15])[H:14])[H:13])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h2-3,5-6H,1,4H2/b5-3-",86.15595,-12.42004,
11745,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:14])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6][O:7][H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-3-7-5(4)2-6/h4-6H,3H2,1H3/t4-,5+/m1/s1",54.94955,26.16688,
11746,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1]1([H:8])=[C+:2][C:3]([N-:7][H:11])=[C:4]([H:9])[C:5]([H:10])=[N:6]1,"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c6-5-1-3-7-4-2-5/h1,3-4H,(H-,6,7)",149.02225,58.45584,
11747,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6]([H:11])[n:7]1)[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)",49.20254,0.73012,
11748,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C+:1](=[C:2]=[C:3]1[C:4]([H:9])=[C-:5][N:6]([H:10])[N:7]1[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3,6-7H",79.33917,54.30005,
11749,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](#[C:2][C:3]([C:4](=[C:5]=[N:6][H:10])[H:9])=[N:7][H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5(7)3-4-6/h1,3,6-7H",89.69424000000001,23.4568,
11750,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](#[C:2][C:3](=[C:4]=[C:5](/[N:6]=[N:7]/[H:11])[H:10])[H:9])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-3-4-5-7-6/h1,3,5-6H/b7-6+",83.95217,65.19637,
11751,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](#[C:2][C@:3]1([H:9])[C+:4]=[C:5]([H:10])[N-:6][N:7]1[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,4-5,7H/t5-/m1/s1",83.93835,85.66604,Singlet_Carbene_Intra_Disproportionation
11752,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](#[C:2][C:3]1([N:7]([N:6])[H:11])[C:4]([H:9])=[C:5]1[H:10])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5(7-6)3-4-5/h1,3-4,7H",145.41343999999998,100.47662,
11753,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](#[C:2][C@@:3]1([H:11])[C:4]([H:9])=[C:5]([H:10])[N:6]=[N:7]1)[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-5H/t5-/m0/s1",55.692519999999995,36.1876,
11754,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C-:1]#[C:2][C+:3]1[C:4]([H:8])([H:9])[C:5]([H:10])=[N:6][N:7]1[H:11],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h4,7H,3H2",101.2737,60.67844,
11755,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](=[C:2])([c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h2-4H,(H,6,7)",53.3625,52.823440000000005,Singlet_Carbene_Intra_Disproportionation
11756,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1]1([H:8])=[C:2]2/[C:3](=[N:7]\[H:11])[C@:4]12[H:9].[C:5](#[N:6])[H:10],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C4H3N.CHN/c5-4-2-1-3(2)4;1-2/h1-2,5H;1H/b5-4-;/t2-;/m1./s1",114.6924,77.52725,
11757,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](#[C:2][C:3]1=[C+:4][C:5]([H:9])([H:10])[N-:6][N:7]1[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,7H,4H2",84.77497,83.56328,
11758,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](#[C:2]/[C:3]([C@@:4]1([H:9])[C:5]([H:10])=[N:6]1)=[N:7]\[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-4(6)5-3-7-5/h1,3,5-6H/b6-4+/t5-/m1/s1",95.93165,45.79466,
11759,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](#[C:2][C@@:4]1([H:9])[C:3][N:7]([H:11])[N:6]=[C:5]1[H:10])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3,5,7H/t5-/m1/s1",81.22651,59.94138,
11760,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C-:1]#[C:2][c:3]1[c:4]([H:9])[c+:5]([H:10])[n:6]([H:8])[n:7]1[H:11],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h3-4,6-7H",141.42002,61.65724,
11761,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]1[C@:7]23[H:14],[C:1]1([H:8])([H:9])[C@:2]([O:3][C:4](=[C:5]([H:12])[H:13])[H:11])([H:10])[C:7]([H:14])=[N:6]1,"InChI=1S/C5H7NO/c1-3-5-4(7-3)2-6(1)5/h3-5H,1-2H2/t3-,4+,5+","InChI=1S/C5H7NO/c1-2-7-5-3-6-4-5/h2-3,5H,1,4H2/t5-/m0/s1",76.8675,-17.59244,
11762,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]1[C@:7]23[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@@:4]3([H:11])[C-:5]([H:13])[N+:6]1=[C:7]23.[H:12][H:14],"InChI=1S/C5H7NO/c1-3-5-4(7-3)2-6(1)5/h3-5H,1-2H2/t3-,4+,5+","InChI=1S/C5H5NO.H2/c1-3-5-4(7-3)2-6(1)5;/h1,3-4H,2H2;1H/t3-,4+;/m0./s1",105.64832,94.96596,
11763,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]1[C@:7]23[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@@:4]([H:11])([C:5]([H:12])([H:13])[N:6]1[H:14])[C:7]2,"InChI=1S/C5H7NO/c1-3-5-4(7-3)2-6(1)5/h3-5H,1-2H2/t3-,4+,5+","InChI=1S/C5H7NO/c1-4-2-6-3-5(1)7-4/h4-6H,2-3H2/t4-,5+",61.72906999999999,43.09254,
11764,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]1[C@:7]23[H:14],[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]1[C@@:7]23[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-3-5-4(7-3)2-6(1)5/h3-5H,1-2H2/t3-,4+,5+","InChI=1S/C5H7NO/c1-5-4-3(7-5)2-6(4)5/h3-4H,2H2,1H3/t3-,4+,5-,6?/m0/s1",102.11249000000001,-1.6540599999999999,
11765,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]1[C@:7]23[H:14],[C:1]1([H:8])([H:9])[C:5]([H:12])([H:13])[C@:4]2([H:11])[O:3][C@:2]3([H:10])[N:6]1[C@@:7]32[H:14],"InChI=1S/C5H7NO/c1-3-5-4(7-3)2-6(1)5/h3-5H,1-2H2/t3-,4+,5+","InChI=1S/C5H7NO/c1-2-6-4-3(1)7-5(4)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1",118.06943999999999,-20.020020000000002,
11766,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:13])[C:6](=[O:7])[N:5]([H:16])[C:4]1([H:14])[H:15])([H:8])[H:10].[H:9][H:12],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H7NO.H2/c1-4-2-5(7)6-3-4;/h1-3H2,(H,6,7);1H",114.53213000000001,13.974860000000001,
11767,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C-:1]([O+:7]=[C:6]1[C@@:2]([C:3]([H:11])([H:12])[H:13])([H:9])[C:4]([H:14])([H:15])[N:5]1[H:16])([H:8])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-4-3-6-5(4)7-2/h4,6H,2-3H2,1H3/t4-/m1/s1",108.67693,91.12642,
11768,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:13])[C@:4]1([H:14])[N:5]([H:16])[C:6]2=[O:7])([H:8])([H:9])[H:10].[H:12][H:15],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H7NO.H2/c1-5-2-3(5)6-4(5)7;/h3H,2H2,1H3,(H,6,7);1H/t3-,5+;/m0./s1",121.4239,43.621829999999996,
11769,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[C:6]1=[N:5][O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-5(2,3)4-6-7-4/h1-3H3",81.69161,67.90729,
11770,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:6]=[O:7])([H:8])([H:9])[H:10].[C:4](=[N:5][H:16])([H:14])[H:15],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C4H6O.CH3N/c1-4(2)3-5;1-2/h1-2H3;2H,1H2",63.8168,37.97163,
11771,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:7][C:6]1=[C:2]([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-4-3-6-5(4)7-2/h6H,3H2,1-2H3",116.31008999999999,44.41117,ketoenol
11772,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]=[C:6]1[O:7][H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)",62.51489,16.05035,ketoenol
11773,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:4]([C@@:2]1([C:3]([H:11])([H:12])[H:13])[N:5]([H:16])[C:6]1=[O:7])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-3-5(2)4(7)6-5/h3H2,1-2H3,(H,6,7)/t5-/m1/s1",79.83175,24.673939999999998,
11774,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])(/[C:4](=[N:5]/[H:16])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C4H9N.CO/c1-4(2)3-5;1-2/h3-5H,1-2H3;/b5-3+;",89.82603,11.67412,
11775,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:6]([N:5]([C-:4]([H:14])[H:15])[H:16])=[O+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-5(2)4(6-3)7-5/h6H,3H2,1-2H3",101.64413,85.84340999999999,
11776,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:4]([N:5]([H:12])[H:16])([H:14])[H:15])[C:3]([H:11])([H:13])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-5(3-6)2-4(5)7/h2-3,6H2,1H3/t5-/m1/s1",87.54907,35.93805,
11777,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:13])[C@@:6]1([O:7][H:12])[N:5]([H:16])[C:4]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-4-2-5(4,7)6-3-4/h6-7H,2-3H2,1H3/t4-,5+/m1/s1",87.65651,43.61636,
11778,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:6]([N:5]([C+:4]([H:14])[H:15])[H:16])[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-4(2)5(7)6-3/h6H,3H2,1-2H3",63.81567,52.966319999999996,
11779,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[C:4]([N:5]=[C:6]=[O:7])([H:14])[H:15])([H:8])[H:10].[H:9][H:16],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H7NO.H2/c1-5(2)3-6-4-7;/h1,3H2,2H3;1H",116.42917,22.972739999999998,
11780,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([H:14])[H:15])([H:8])([H:9])[H:10].[N:5](=[C:6]=[O:7])[H:16],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C4H8.CHNO/c1-4(2)3;2-1-3/h1H2,2-3H3;2H",55.76795,4.888780000000001,
11781,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C-:4]=[N+:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H7NO.H2/c1-5(2)3-6-4(5)7;/h6H,1-2H3;1H",89.40785,67.64712,
11782,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:6]1=[O+:7][C-:2]([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-4-3-6-5(2)7-4/h6H,3H2,1-2H3",104.85444,63.20205,
11783,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:6]([N+:5](=[C-:4][H:15])[H:16])=[O:7])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-4(2)5(7)6-3/h3-4,6H,1-2H3",84.79952,45.78818,
11784,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](/[C:5](=[N:4]/[H:12])[C:7]([H:13])([H:14])[H:15])=[O:6])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-3(5)4(7)6-2/h5H,1-2H3,(H,6,7)/b5-3+",80.63022,-0.31361999999999995,
11785,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C-:5]=[O+:6][C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-6-4(5)3-7-2/h1-2H3,(H2,5,6)",118.18196,73.78819,
11786,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[N:4]([H:11])[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)",50.07574,7.7828800000000005,
11787,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3](=[N:4]\[H:12])[O+:6]=[C-:5][C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-3-7-4(5)6-2/h1-2H3,(H2,5,6)",90.5776,59.327630000000006,
11788,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]#[N:4])[H:11])([H:8])([H:9])[H:10].[C:5](=[O:6])([C:7]([H:13])([H:14])[H:15])[H:12],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C2H4N2.C2H4O/c1-4-2-3;1-2-3/h4H,1H3;2H,1H3",92.70235,24.20692,
11789,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][H:11])([H:8])[H:10].[C:3](=[N:4][H:12])=[C:5]([O:6][H:9])[C:7]([H:13])([H:14])[H:15],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C3H5NO.CH3N/c1-3(5)2-4;1-2/h4-5H,1H3;2H,1H2",89.83881,56.00767,Retroene
11790,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C+:3]([N:4]([H:12])[H:13])[C:5]([O-:6])=[C:7]([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h6H,1,5H2,2H3",38.83485,23.84211,
11791,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C+:1]([N:2]([C:3]([N-:4][H:12])=[C:5]([O:6][H:9])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h5-7H,2H2,1H3",96.9629,70.36431999999999,
11792,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([c:3]1[n:4]([H:12])[o:6][c:5]1[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-3-4(5-2)6-7-3/h5-6H,1-2H3",97.13014,77.17105,
11793,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C+:3]=[C:5]([O:6][N-:4][H:12])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-4(7-5)3-6-2/h5-6H,1-2H3",129.39941000000002,131.11661999999998,ketoenol
11794,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([H:11])[H:12])([H:8])([H:9])[H:10].[C:3](#[N:4])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C3H3NO.CH5N/c1-3(5)2-4;1-2/h1H3;2H2,1H3",62.24873,23.32125,
11795,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]=[N:4][C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)",InChI=1S/C4H6N2O.H2/c1-4(7)6-3-5-2;/h1-2H3;1H,108.88503999999999,24.77005,
11796,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C+:1]([N:2]([C:3]([N:4]([H:9])[H:12])=[C:5]([O-:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h6H,2,5H2,1H3",56.825309999999995,30.69642,
11797,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C@@:5]1([H:13])[O:6][C:7]1([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-6-4(5)3-2-7-3/h3H,2H2,1H3,(H2,5,6)/t3-/m0/s1",94.91099,29.36485,
11798,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3](=[N:4]\[H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:5](=[O:6])=[C:7]([H:14])[H:15],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C2H6N2.C2H2O/c1-4-2-3;1-2-3/h2H,1H3,(H2,3,4);1H2",85.35963000000001,29.40213,
11799,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2](=[C-:3][N:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-4(7)6-3-5-2/h5H,1-2H3,(H,6,7)",50.81162,19.06939,
11800,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]1([H:11])[C:2][C@@:3]2([H:8])[O:4][C@@:5]3([H:9])[C@:6]1([H:10])[C@@:7]23[H:12],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c1-2-3-4(6-1)5(3)7-2/h2-6H/t2-,3-,4+,5-/m1/s1",96.61771,46.46147,
11801,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]#[C:2][C@@:3]1([H:8])[O+:4]=[C-:5][C@:7]1([C:6]([H:9])([H:10])[H:11])[H:12],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c1-4-3-7-5(4)2-6/h4-5H,1H3/t4-,5-/m1/s1",53.71521,28.384009999999996,
11802,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1](=[C:2]1/[C@@:3]2([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C:7]1)\[H:12],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c6-3-1-2-4-5(3)7-4/h4-6H,2H2/b6-3+/t4-,5+/m0/s1",105.45279,63.14592,
11803,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]1=[C-:2][C@@:3]2([H:8])[O+:4]=[C:5]([H:9])[C@@:7]2([H:12])[C:6]1([H:10])[H:11],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c1-4-3-7-5(4)2-6-1/h3-5H,1H2/t4-,5-/m1/s1",89.33965,77.71891,
11804,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N+:1](#[C-:2])[C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c1-6-5-3-2-4(3)7-5/h3-5H,2H2/t3-,4+,5+/m1/s1",56.43199,17.89501,
11805,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]#[C:2]/[C:3](=[C:7](\[C:6]([C:5](=[O:4])[H:9])([H:10])[H:11])[H:12])[H:8],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c6-4-2-1-3-5-7/h1-2,5H,3H2/b2-1-",42.17285,-36.333890000000004,
11806,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]#[C:2][C@@:3]1([H:8])[O:4][C:5]([H:9])=[C:6]([H:10])[C:7]1([H:11])[H:12],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c6-4-5-2-1-3-7-5/h1,3,5H,2H2/t5-/m0/s1",65.57768,-31.148020000000002,
11807,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]#[C:2][C@@:3]([O:4][H:9])([C@@:7]1([H:12])[C:5][C:6]1([H:10])[H:11])[H:8],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c6-3-5(7)4-1-2-4/h4-5,7H,1H2/t4-,5-/m1/s1",73.10903,58.78105,
11808,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]#[C:2][C@@:3]([O:4][H:11])([C:7]1([H:12])[C:5]([H:9])=[C:6]1[H:10])[H:8],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c6-3-5(7)4-1-2-4/h1-2,4-5,7H/t5-/m1/s1",69.14817,8.58103,
11809,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]#[C:2][C@@:7]1([H:12])[C:3]([H:8])=[O+:4][C-:5]([H:9])[C:6]1([H:10])[H:11],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c6-3-5-1-2-7-4-5/h2,4-5H,1H2/t5-/m0/s1",71.40613,22.2162,
11810,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]#[C:2][C@@:3]1([H:8])[O+:4]=[C-:5][C:6]([H:10])([H:11])[C:7]1([H:9])[H:12],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c6-4-5-2-1-3-7-5/h5H,1-2H2/t5-/m0/s1",58.16185,8.31292,
11811,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@:5]([C:6][H:11])([H:9])[C:7]1([H:10])[H:12],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c1-4-2-5(3-6)7-4/h1,4-5H,2H2/t4-,5-/m0/s1",65.86413,62.55591,
11812,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]#[C:2][C@@:3]1([H:8])[O:4][C:5]([H:9])([H:10])[C@:7]1([C:6][H:11])[H:12],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c1-4-3-7-5(4)2-6/h1,4-5H,3H2/t4-,5-/m1/s1",67.32007,67.49115,
11813,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1](=[C:2]=[C:3]([O:4][C:5]1([H:9])[C:6]([H:10])=[C:7]1[H:12])[H:8])[H:11],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c6-3-4-7-5-1-2-5/h1-2,4-6H",81.51159,42.452709999999996,
11814,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N+:1]1#[C:2][C@@:3]2([H:8])[O:4][C-:5]([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c1-2-7-5-3-6-4(1)5/h2,4-5H,1H2/t4-,5-/m1/s1",97.59602,74.11888,
11815,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1](=[C:2]=[C:3]1[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12])[H:8],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-4,6H,1H2/t3-,4+/m1/s1",94.68178,29.09484,
11816,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1]([C@@:2]([C:3]([N+:5]#[C-:4])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c1-3-5(7)4-6-2/h1,5,7H,4H2/t5-/m1/s1",60.91158000000001,23.00147,
11817,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[C:2](=[C:3]([H:10])[H:11])([C:6]#[C:7][H:12])[H:9].[O:1]([C:4]#[N:5])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C4H4.CHNO/c1-3-4-2;2-1-3/h1,4H,2H2;3H",79.53334,25.97635,
11818,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1](/[C:2]([C:3]([C:4]#[N:5])([H:10])[H:11])=[C:6](\[C:7][H:12])[H:9])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1-2,7H,3H2/b5-2-",71.24809,45.7096,
11819,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1]([C@@:2]1([H:9])[C:6]([N:5]=[C:4]=[C:3]([H:10])[H:11])=[C:7]1[H:12])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c1-2-6-4-3-5(4)7/h3,5,7H,1H2/t5-/m1/s1",89.79014000000001,39.41563,
11820,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1]([C:2](=[C:6]=[C:7]([C:4]1=[N:5][C:3]1([H:10])[H:11])[H:12])[H:9])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c7-3-1-2-5-4-6-5/h2-3,7H,4H2",75.99481,33.8021,
11821,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1]([C:2](=[C:6]=[C:7]([N:5]=[C:4]=[C:3]([H:10])[H:11])[H:12])[H:9])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c1-2-6-4-3-5-7/h4-5,7H,1H2",51.14695,24.31095,
11822,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1]([C:2]([C:3]([C:4]#[N:5])([H:10])[H:11])=[C:6]=[C:7]([H:9])[H:12])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h7H,1,3H2",72.06624000000001,-5.20479,
11823,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1]([C:2]1=[C:6]([H:9])[C:7]([H:12])=[N+:5]=[C-:4][C:3]1([H:10])[H:11])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1,3,7H,2H2",93.38691,36.39861,
11824,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:9])[H:10].[O:3]([H:8])[H:11],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H4O2.H2O/c1-4(2-5)3-6;/h2-3H,1H2;1H2",69.85177,13.56342,"1,3_Insertion_ROR"
11825,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]([C@:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6][O:7][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2,6-7H,1H3/t4-/m0/s1",81.67267,54.54793000000001,
11826,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C@@:6]([C:4](=[O:5])[H:12])([O:7][H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m1/s1",35.25759,-5.14165,
11827,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([O:3][H:11])=[C:4]([H:12])[O:5]1.[C:6](=[O:7])([H:8])[H:13],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C3H4O2.CH2O/c4-3-1-5-2-3;1-2/h1,4H,2H2;1H2",106.18048999999999,59.15833000000001,
11828,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@:2]2([O:3][H:11])[C@@:4]1([H:12])[O:5][C@@:6]2([O:7][H:8])[H:13],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c5-3-4(6)1-2(4)7-3/h2-3,5-6H,1H2/t2-,3-,4-/m0/s1",80.77309,37.10575,
11829,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C@:6]1([O:7][H:8])[H:13],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c5-2-4(7)1-3(4)6/h2-3,6-7H,1H2/t3-,4-/m0/s1",79.24398000000001,17.61657,
11830,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1](=[C:2]([O:3][H:11])[C:4](=[O:5])[H:12])([H:9])[H:10].[H:8][H:13],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C3H4O2.CO.H2/c1-3(5)2-4;1-2;/h2,5H,1H2;;1H",72.62021999999999,28.023529999999997,
11831,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:3][H:11])[C@@:4]2([H:12])[O:5][C@:6]1([H:13])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c1-4(5)2-6-3(4)7-2/h2-3,5H,1H3/t2-,3+,4-",70.91108,58.38945,
11832,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:11])=[C:4](\[O:5][H:8])[H:12])([C:6](=[O:7])[H:13])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c5-2-1-4(7)3-6/h2-3,6-7H,1H2/b4-3+",76.85768,8.56017,
11833,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]([O:5]/[C:4](=[C:2](/[O:3][H:11])[C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c1-7-3-4(6)2-5/h2-3,6H,1H3/b4-3+",85.43938,15.35409,ketoenol
11834,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](\[O:5][O:3][H:11])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c1-4(2-5)3-7-6/h2-3,6H,1H3/b4-3+",109.8573,65.93339,ketoenol
11835,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C-:4]#[O+:5].[C:1](/[C:2]([O:3][H:11])=[C:6](/[O:7][H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C3H6O2.CO/c1-3(5)2-4;1-2/h2,4-5H,1H3;/b3-2-;",40.89047,2.9572,
11836,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]([C@:2]12[O:3][C@@:4]1([H:12])[O:5][C@:6]2([O:7][H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c1-4-2(5)6-3(4)7-4/h2-3,5H,1H3/t2-,3-,4-/m1/s1",48.91222,32.281459999999996,
11837,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:12])([C:6](=[O:7])[H:13])([H:9])[H:10].[H:8][H:11],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H4O3.H2/c5-2-1-4(7)3-6;/h2-3H,1H2;1H",105.95076999999999,25.132379999999998,
11838,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]1[C:4]([H:11])([H:12])[C@:5]1([O:6][H:10])[C:7]([H:13])([H:14])[H:15])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-3-5-4-6(5,2)7/h7H,1,4H2,2H3/t6-/m1/s1",59.40635,31.880440000000004,
11839,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]([C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-3-4-5-6(2)7/h4H,1,5H2,2H3",84.01250999999999,3.4905,
11840,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3][C:4]([H:11])([H:12])[C@@:5]1([C:7]([H:13])([H:14])[H:15])[O:6]2)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-5-3-4-6(5,2)7-5/h3H2,1-2H3/t5-,6+/m1/s1",64.05864,67.40574000000001,
11841,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([H:11])[H:12])[H:13])([H:8])([H:9])[H:10].[C:5](=[O:6])=[C:7]([H:14])[H:15],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C4H6.C2H2O/c1-3-4-2;1-2-3/h4H,1H2,2H3;1H2",68.38653000000001,25.24175,Retroene
11842,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]/[C:3](=[C:4](\[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-3-4-5-6(2)7/h4-5H,1-2H3/b5-4-",73.30303,56.64878,
11843,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]=[C:4]([H:11])[H:12])([H:8])[H:9].[C:5](=[O:6])([C:7]([H:13])([H:14])[H:15])[H:10],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C4H4.C2H4O/c1-3-4-2;1-2-3/h1-2H2;2H,1H3",92.21611999999999,38.77325,
11844,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:7]([H:13])([H:14])[H:15])[o:6]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3",57.216159999999995,-28.56782,
11845,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][O:6][C:5](=[C:4]([H:11])[H:12])[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-4-5-7-6(2)3/h2H2,1,3H3",92.67819,28.18195,ketoenol
11846,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C@:4]([C:5](=[O:6])[H:12])([C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-3-4-6(2)5-7/h5-6H,1-2H3/t6-/m1/s1",85.40991,7.358439999999999,
11847,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]([C-:3]([C:4]#[N:5])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h7H2,1H3",56.24971,25.26243,
11848,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][H:11])([H:8])[H:10].[C:3]([C:4]#[N:5])(=[C:6]=[N:7][H:9])[H:12],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C3H2N2.CH3N/c4-2-1-3-5;1-2/h1,4H;2H,1H2",60.306619999999995,25.05208,Retroene
11849,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:7]#[C-:6])([H:8])([H:9])[H:10].[N:2](=[C:3](\[C:4]#[N:5])[H:12])\[H:11],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C2H2N2.C2H3N/c3-1-2-4;1-3-2/h1,3H;1H3/b3-1-;",109.87924,26.21472,
11850,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:4]1=[N:5][C@:3]1([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C4H5N3/c1-6-4-3(2-5)7-4/h3H,1H3,(H,6,7)/t3-/m0/s1",91.63356999999999,17.05723,
11851,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](\[C:6]#[N:7])[H:12])([H:8])([H:9])[H:10].[C:4]=[N:5][H:11],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C3H4N2.CHN/c1-5-3-2-4;1-2/h3H,1H3;2H/b5-3-;",53.273109999999996,29.42966,
11852,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[C:4]=[N:5][C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C4H5N3/c1-6-2-3-7-4-5/h2,6H,1H3",72.85398,28.36065,
11853,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([C:4]#[N:5])=[C:6]=[N:7][H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h5,7H,1H3",78.9076,16.66829,
11854,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]([C-:3]([C:4]#[N:5])[H:12])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C4H5N3/c1-7(4-6)3-2-5/h3,7H,1H3",72.5228,64.09619,
11855,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([H:10])[H:11])([N:5]=[C:4]=[C:3]([C:6]#[N:7])[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C4H5N3/c5-2-1-3-7-4-6/h1H,4,6H2",85.2225,8.176630000000001,
11856,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C@@:3]([N+:5]#[C-:4])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C4H5N3/c1-6-4(3-5)7-2/h4,6H,1H3/t4-/m0/s1",47.89005,18.97824,
11857,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])=[C:5]1[C:6]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:15])[H:19],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H10.H2O/c1-3-6-4-5(6)2;/h4,6H,3H2,1-2H3;1H2/t6-;/m0./s1",78.05971,34.017720000000004,
11858,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]1)([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([O:7][H:19])([H:16])([H:17])[H:18],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C5H8.CH4O/c1-2-5-3-4-5;1-2/h5H,2-3H2,1H3;2H,1H3/t5-;/m0./s1",126.95414,99.31000999999999,
11859,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][C:4]([C@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-4-5-6(2)7/h6-7H,3,5H2,1-2H3/t6-/m0/s1",71.14373,63.0308,
11860,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4]([C@@:5]([C:6]([H:11])([H:17])[H:18])([O:7][H:19])[H:16])([H:14])[H:15])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-4,6-7H,5H2,1-2H3/b4-3+/t6-/m1/s1",98.52306,-5.61036,
11861,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1=[C:5]([C:6]([H:16])([H:17])[H:18])[C:4]1([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:13])[H:19],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H10.H2O/c1-3-6-4-5(6)2;/h3-4H2,1-2H3;1H2",79.42475,30.7752,
11862,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]1([C:4]([C@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:8])([H:14])[H:15])[H:13],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-5(7)4-6-2-3-6/h5-7H,2-4H2,1H3/t5-/m0/s1",100.43625,1.34083,
11863,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]1=[C:6]([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:16])[H:19],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H10.H2O/c1-3-6-4-5(6)2;/h6H,2-4H2,1H3;1H2/t6-;/m0./s1",72.62876999999999,22.5247,"1,3_Insertion_ROR"
11864,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[C:4]([C:5](=[C:6]([H:17])[H:18])[O:7][H:19])([H:14])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10].[H:12][H:16],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H10O.H2/c1-3-4-5-6(2)7;/h3-4,7H,2,5H2,1H3;1H/b4-3-;",68.4974,20.27006,
11865,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([C:5][O:7][H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-6(4-2)5-7/h6-7H,3-4H2,1-2H3",91.95804,39.721959999999996,
11866,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([C:6]([H:16])([H:17])[H:18])[O:7][H:19],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3/h3H,1,4H2,2H3;3H,1H3",69.06494,58.224819999999994,
11867,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])[H:11],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C5H8O.CH4/c1-4-3-5(4,2)6;/h1,4,6H,3H2,2H3;1H4/t4-,5-;/m0./s1",92.72796,87.26572,
11868,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:5]([C:3]1([H:13])[C:2]([H:11])([H:12])[C:4]1([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-6(2,7)5-3-4-5/h5,7H,3-4H2,1-2H3",121.50295,-0.29403,
11869,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([C:5][C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([O:7][H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-5-6(7)4-2/h6-7H,4-5H2,1-2H3/t6-/m0/s1",99.98668,60.12291999999999,
11870,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([H:16])([H:17])[H:18])=[O:7])([H:14])[H:15])([H:13])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3",63.8677,-21.41424,
11871,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:19])([C:5]([C:6]([H:16])([H:17])[H:18])=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3/t5-/m1/s1",63.53276999999999,-20.68242,
11872,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3]([C:4]([H:13])([H:14])[H:15])=[C:5](\[C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-4-5(2)6(3)7/h7H,4H2,1-3H3/b6-5+",63.993,-10.56265,
11873,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[C:4](/[C:5](=[N+:6]=[C-:7][H:15])[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-3-7-5-4-6-2/h2,4-5H,3H2,1H3/b7-5+",68.18073000000001,63.78069,
11874,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]=[C:7]([N:6]=[C:5]=[C:4]([H:13])[H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-3-6-5-7-4-2/h5H,1,4H2,2H3",102.4518,39.3549,
11875,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:3]1=[C:4]([H:13])[C:5]([H:14])=[N:6][C:7]1([H:11])[H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h2-4H,5H2,1H3",98.27411,43.76851,
11876,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[N:3]2[C@@:4]1([H:13])[C:5]([H:14])=[N:6][C:7]2([H:9])[H:15],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-7-4-6-3-5(1)7/h3,5H,1-2,4H2/t5-/m1/s1",98.38964,35.31954,
11877,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C-:5]=[N+:6]=[C:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h5H,2,4H2,1H3",76.5466,68.01174,Singlet_Carbene_Intra_Disproportionation
11878,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:7]1([H:15])[N+:3]([C-:2]([H:11])[H:12])=[C:4]([H:13])[C:5]([H:14])=[N:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-5-6-3-4-7(5)2/h3-5H,2H2,1H3/t5-/m0/s1",132.3641,44.13496,
11879,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([N+:3]1([C-:2]([H:11])[H:12])[C:4]([H:13])=[C:5]([H:14])[N:6]=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-7(2)4-3-6-5-7/h3-5H,1H2,2H3",133.10176,99.53156,
11880,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[N:3]2[C:4]([H:9])([H:13])[C:5]([H:14])=[N:6][C@:7]12[H:15],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-3-7-4-2-6-5(1)7/h2,5H,1,3-4H2/t5-/m0/s1",95.5813,33.45485,
11881,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:4]1([H:13])[N:3]=[C:7]([H:15])[N:6]=[C:5]1[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-5-3-6-4-7-5/h3-5H,2H2,1H3/t5-/m1/s1",65.46216,13.04486,
11882,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([n:3]1[c:4]([H:13])[c-:5][n:6]([H:14])[c+:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h4-6H,2H2,1H3",83.85208,48.45735,
11883,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:3]1=[C:4]([H:13])[C:5]([H:11])([H:14])[N:6]=[C:7]1[H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h2,4-5H,3H2,1H3",109.53811999999999,60.59044,
11884,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:3]1=[C:7]([H:15])[N:6]=[C:5]([H:14])[C:4]1([H:11])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h2-3,5H,4H2,1H3",102.15614000000001,55.31516,
11885,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[C:7](/[N:6]1[C:4]([H:13])=[C:5]1[H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-6-5-7-3-4-7/h3-5H,2H2,1H3/b6-5+",112.99293,91.63468,
11886,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]=[C:7]=[N:6][H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](#[C:5][H:14])[H:13],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C3H6N2.C2H2/c1-2-5-3-4;1-2/h4H,2H2,1H3;1-2H",136.6535,58.97028,
11887,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N+:3]1([H:13])[C-:4]=[C:5]([H:14])[N:6]=[C:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3,5,7H,2H2,1H3",89.71651,82.5422,
11888,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:12])[N:3]2[C:4]([H:11])([H:13])[C:5]([H:14])=[N:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-4-5-6-2-3-7(4)5/h2,4-5H,3H2,1H3/t4-,5+,7?/m0/s1",109.7818,34.57082,
11889,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:7]1([H:15])[N:3]=[C:4]([H:13])[C:5]([H:14])=[N:6]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-5-6-3-4-7-5/h3-5H,2H2,1H3",59.63207,12.49864,
11890,[C:1]([C@@:2]([O:3][H:11])([C:4]#[C:5][H:12])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]#[C:5][H:12])([H:8])([H:9])[H:10].[C:6]=[N:7][H:11],"InChI=1S/C5H5NO/c1-3-5(2,7)4-6/h1,7H,2H3/t5-/m1/s1","InChI=1S/C4H4O.CHN/c1-3-4(2)5;1-2/h1H,2H3;2H",57.722719999999995,23.83469,
11891,[C:1]([C@@:2]([O:3][H:11])([C:4]#[C:5][H:12])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:11])([C:4]#[C:5][H:12])[N+:7]#[C-:6])([H:8])([H:9])[H:10],"InChI=1S/C5H5NO/c1-3-5(2,7)4-6/h1,7H,2H3/t5-/m1/s1","InChI=1S/C5H5NO/c1-4-5(2,7)6-3/h1,7H,2H3/t5-/m1/s1",54.47067,17.74832,
11892,[C:1]([C@@:2]([O:3][H:11])([C:4]#[C:5][H:12])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:4]#[C:5][H:12])[C:6]([O:3][H:11])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H5NO/c1-3-5(2,7)4-6/h1,7H,2H3/t5-/m1/s1","InChI=1S/C5H5NO/c1-3-5(2)4(7)6-5/h1H,2H3,(H,6,7)/t5-/m0/s1",79.64884,25.787370000000003,
11893,[C:1]([C@@:2]([O:3][H:11])([C:4]#[C:5][H:12])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:6]=[N:7][C:4]#[C:5][H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H5NO/c1-3-5(2,7)4-6/h1,7H,2H3/t5-/m1/s1","InChI=1S/C5H5NO/c1-3-6-4-5(2)7/h1,7H,2H3",102.54235,30.91246,
11894,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@:6]1([O:7][H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c6-4-2-1-3-5(4)7/h1-2,4-7H,3H2/t4-,5+/m1/s1",58.90574,-18.989929999999998,
11895,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[C-:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])=[O+:7]1.[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C3H4O.C2H4O/c1-2-4-3-1;1-2-3/h2-3H,1H2;2-3H,1H2",86.40705,85.43545,
11896,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[C:3]1([H:10])([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[O:7]2.[O:1]([C:2][H:9])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C4H6O.CH2O/c1-3-2-4(1)5-3;1-2/h3-4H,1-2H2;1-2H/t3-,4+;",137.60203,106.79413999999998,
11897,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]=[C:2]([C@@:6]([C:5]([C:4](=[C:3]([H:10])[H:11])[H:12])([H:13])[H:14])([O:7][H:8])[H:15])[H:9],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h2,4-5,7H,1,3H2/t5-/m1/s1",50.08572,-12.713339999999999,
11898,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]([C:3]([C@:4]1([H:12])[C:5]([H:13])([H:14])[O:7]1)([H:10])[H:11])([C:6][H:15])[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4(6)2-5-3-7-5/h1,4-6H,2-3H2/t4-,5-/m1/s1",106.22733000000001,79.1431,
11899,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[C:2]1([H:9])=[C:3]([H:10])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2.[O:1]([H:8])[H:11],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O.H2O/c1-2-5-3-4(1)6-5;/h1-2,4-5H,3H2;1H2/t4-,5+;",74.87818,29.46755,"1,3_Insertion_ROR"
11900,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4][C:5]([H:13])([H:14])[C@:6]1([O:7][H:12])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c6-4-2-1-3-5(4)7/h4-7H,2-3H2/t4-,5+",72.75581,49.84492,
11901,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:7][C@@:6]1([C:5]([C:4][H:12])([H:13])[H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-2-5-4(6)3-7-5/h1,4-6H,2-3H2/t4-,5+/m0/s1",121.70618,90.9499,
11902,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C:2]([C:3]([C@:4]1([H:12])[C:5]([H:13])([H:14])[C-:6]=[O+:7]1)([H:10])[H:11])([H:9])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c6-3-1-5-2-4-7-5/h5-6H,1-3H2/t5-/m1/s1",72.25657,48.169940000000004,
11903,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1](/[C:2](=[C:6](/[C:5]([C:4]([C:3]([H:10])([H:11])[H:12])=[O:7])([H:13])[H:14])[H:15])[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h2,4,6H,3H2,1H3/b4-2+",85.71506,-21.61753,
11904,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]([C:5]([C:6][H:15])([H:13])[H:14])([H:12])[O:7]1)[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-2-4-3-5(6)7-4/h1,4-6H,2-3H2/t4-,5+/m0/s1",106.37682,82.59107,
11905,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]([C:5][H:13])([H:12])[O:7][C:6]1([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(6)3-7-4/h1,4-6H,2-3H2/t4-,5-/m0/s1",84.18053,63.711459999999995,
11906,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]([C:3]([C:4][H:12])([H:10])[H:11])([C@@:6]1([H:15])[C:5]([H:13])([H:14])[O:7]1)[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-2-4(6)5-3-7-5/h1,4-6H,2-3H2/t4-,5+/m0/s1",108.85533999999998,84.72739,
11907,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[H:8][H:9].[O:1]=[C:2]1[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2,"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2.H2/c6-4-1-3-2-5(4)7-3;/h3,5H,1-2H2;1H/t3-,5-;/m1./s1",87.3489,17.985310000000002,
11908,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C-:4]=[O+:7][C@@:6]1([C:5]([H:12])([H:13])[H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4-6H,2H2,1H3/t4-,5+/m1/s1",74.98961,23.953570000000003,
11909,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]([C:5]([H:13])([H:14])[H:15])([H:12])[O+:7]=[C-:6]1)[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(6)3-7-4/h4-6H,2H2,1H3/t4-,5-/m0/s1",77.1204,24.59514,
11910,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:9])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:11])([H:8])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h2-3,5,7H,1,4,6H2/t7-/m1/s1",44.45897,-1.79522,
11911,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6][C@@:7]12[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h5-7H,2-3H2,1H3/t5-,6+,7-/m0/s1",66.58325,64.16725,Singlet_Carbene_Intra_Disproportionation
11912,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:17])[C:6]([H:16])=[C:7]12)([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h3,5,7H,2,4H2,1H3/t5-,7-/m1/s1",106.6353,36.01076,
11913,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3][C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C:7]1([H:12])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,7H,4-5H2,1H3/t7-/m1/s1",70.13166,62.024269999999994,
11914,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@@:5]2([H:15])[C:6]([H:9])([H:16])[C@@:7]12[H:17])[H:11])([H:8])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-2-5-3-6-4-7(5)6/h2,5-7H,1,3-4H2/t5-,6-,7-/m0/s1",90.29604,23.42449,
11915,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C@:6]([C:5](=[C:4]([H:13])[H:14])[H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-3-5-6-4(2)7(5)6/h3-7H,1H2,2H3/t4-,5+,6-,7+",87.34053,37.24017,
11916,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:7]1([H:17])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3,5,7H,4,6H2,1H3/t7-/m1/s1",69.00878,66.20487,
11917,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3]([C:7](=[C:6](/[C:5](=[C:4]([H:13])[H:14])[H:15])[H:16])\[H:17])/[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-3-5-7-6-4-2/h3-7H,1H2,2H3/b6-4-,7-5-",66.24943,10.24287,
11918,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C-:4]=[C:5]([H:15])[C+:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H8.H2/c1-5-6-3-2-4-7(5)6;/h2-3,5-7H,1H3;1H/t5-,6+,7-;/m1./s1",94.7814,90.53778,
11919,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:7]1([H:17])[C:3][C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3,5,7H,2,4H2,1H3/t7-/m1/s1",68.31903,62.63475,
11920,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])=[C:7]1[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-5,7H,6H2,1H3/t7-/m1/s1",52.80118,-10.92121,
11921,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5](=[C:6]([H:15])[H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-4-3-6-5(2)7(4)6/h5-7H,1,3H2,2H3/t5-,6+,7-/m0/s1",98.38419,20.695829999999997,
11922,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:7]1([H:17])[C@:6]2([C:5](=[C:4]([H:13])[H:14])[H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-3-5-6-4-7(5,6)2/h3,5-6H,1,4H2,2H3/t5-,6+,7-/m1/s1",117.48318,31.76502,
11923,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]=[C:7]1[H:17])[H:11])([H:8])[H:10].[H:9][H:16],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H8.H2/c1-2-7-5-3-4-6-7;/h2-3,6-7H,1,5H2;1H/t7-;/m0./s1",122.57768999999999,93.99812,
11924,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h5-7H,3-4H2,1H3/t5-,6+,7-",67.69816,66.87763000000001,Singlet_Carbene_Intra_Disproportionation
11925,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C:7]1([H:17])[C:3]([H:12])=[C:4]([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:9])[H:11])([H:8])([H:10])[H:13],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3-7H,2H2,1H3",96.98235,-8.501669999999999,
11926,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:17])[C:4]([H:13])([H:14])[C+:5]([H:15])[C:6]([H:16])=[C-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,7H,4,6H2,1H3/t7-/m1/s1",67.58776,56.12961,
11927,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]2([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-5-6-2-3-7(5)4-6/h2-3,5-7H,4H2,1H3/t5-,6-,7+",72.8429,19.41461,
11928,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C+:5]([H:15])[C:6]([H:16])=[C-:7]1)([H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3-4,7H,2,5H2,1H3/t7-/m0/s1",63.98939,55.035,
11929,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C:7]1([H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3-4,7H,5-6H2,1H3",67.12151,65.47875,
11930,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:17])[C:6]([H:16])=[C:5]([H:15])[C:4]([H:13])([H:14])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3",69.15654,49.19365,
11931,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]1[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C:7]1([H:12])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h2-4H,5-6H2,1H3",70.11318,-8.083860000000001,
11932,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[C:4]([C:5](=[C:6]=[C:7]([H:16])[H:17])[H:15])([H:13])[H:14])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-3-5-7-6-4-2/h4-6H,1,7H2,2H3/b6-4-",87.02685,20.85098,
11933,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[C-:3][N+:4]([H:10])([H:11])[C:5]([O:6][H:12])=[N:7]1)([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h4-5H2,(H,6,7)",89.87746,82.98644,
11934,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N+:7]=[C-:5][N:4]([H:11])[C@@:3]1([O:6][H:12])[H:10])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-3(7)6-1-5-2/h3,6-7H,4H2/t3-/m1/s1",128.0302,49.648070000000004,
11935,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1](=[C:2]1[C:3]([H:8])([H:10])[N:4]([H:11])[C:5]([O:6][H:12])=[N:7]1)[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H2,(H3,4,5,6,7)",68.25917,1.45716,
11936,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N-:1]([c:2]1[c:3]([H:10])[n+:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:9])[H:8],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H4N3O/c4-2-1-5-3(7)6-2/h1,4H,(H2,5,6,7)/q-1/p+1",62.99334,38.65903,
11937,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)",41.28314,-5.82303,ketoenol
11938,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N+:1]([c:2]1[c-:3][n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H4N3O/c4-2-1-5-3(7)6-2/h4H2,(H2,5,6,7)/q-1/p+1",76.46755,64.94946999999999,
11939,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([C@:2]1([H:10])[C-:3]=[N+:4]([H:11])[C:5]([O:6][H:12])=[N:7]1)([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h2,5H,4H2,(H,6,7)/t2-/m0/s1",57.53224,51.659040000000005,Singlet_Carbene_Intra_Disproportionation
11941,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][C:5]([O:6][H:12])=[N:4][C:3]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H2,(H3,4,5,6,7)",43.35235,-0.9107299999999999,
11942,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[H:11][H:12].[N:1]([C+:2]1[C:3]([H:10])=[N:4][C:5](=[O:6])[N-:7]1)([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H3N3O.H2/c4-2-1-5-3(7)6-2;/h1H,4H2;1H",94.60162,29.841920000000002,
11943,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([n+:7]1[c-:2][c:3]([H:10])[n:4]([H:11])[c:5]1[O:6][H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-6-2-1-5-3(6)7/h1,5,7H,4H2",151.14889,71.35558,
11944,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][C:5](=[O:6])[N:4]([H:11])[C:3]1([H:10])[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H2,(H3,4,5,6,7)",93.19183000000001,-11.73598,
11945,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][C@@:5]([O:6][H:12])([H:11])[N:4]=[C:3]1[H:10])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1,3,7H,(H2,4,6)/t3-/m1/s1",48.85869,16.235870000000002,
11946,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2](/[C:3](=[N:4]/[H:11])[H:10])=[N:7]/[C:5](=[O:6])[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-1-3(5)6-2-7/h1-2,4H,(H2,5,6,7)/b4-1+",77.43358,14.439,
11947,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N+:1]1([H:8])([H:9])[C:2](=[C:3]([N:4]([C:5][O:6][H:12])[H:11])[H:10])[N-:7]1,"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c7-2-4-1-3-5-6-3/h1,4,7H,5H2",129.66013,127.26319,
11948,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:12])=[C:4]([H:13])[H:14])([H:8])([H:9])[H:10].[O:5]=[C:6]([O:7][H:11])[H:15],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O2/c1-3(2)4;2-1-3/h4H,1H2,2H3;1H,(H,2,3)",52.759859999999996,6.2764,Retroene
11949,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4]([O+:5]=[C-:6][O:7][H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h4-6H,2H2,1H3/t4-/m1/s1",77.26795,45.07085,
11950,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([O:3][H:12])([H:11])[C:4]([H:13])([H:14])[O:5][C@@:6]1([O:7][H:9])[H:15],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O3/c5-3-1-4(6)7-2-3/h3-6H,1-2H2/t3-,4+/m1/s1",87.63014,9.248,
11951,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:15])([H:11])[H:14])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O3.H2/c1-4(6)2-7-3-5;/h3H,2H2,1H3;1H",94.19351999999999,16.35909,
11952,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:13])[H:14].[C:6](=[O:7])([H:12])[H:15],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C2H4O.2CH2O/c1-2-3;2*1-2/h2H,1H3;2*1H2",95.1593,47.95042,
11953,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:4]([H:13])([H:14])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10].[O:3]([H:12])[H:15],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2.H2O/c1-3-2-6-4(3)5;/h3H,2H2,1H3;1H2/t3-;/m1./s1",90.30378,7.00548,
11954,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2](\[O:3][H:12])(=[C:4](\[O:5][C:6](=[O:7])[H:15])[H:14])[H:11],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1",InChI=1S/C3H4O3.CH4/c4-1-2-6-3-5;/h1-4H;1H4/b2-1-;,84.619,17.68414,
11955,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]1([H:13])[H:14])([H:8])([H:9])[H:10].[O:5]=[C:6]([O:7][H:12])[H:15],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O2/c1-3-2-4-3;2-1-3/h3H,2H2,1H3;1H,(H,2,3)/t3-;/m1./s1",61.592690000000005,24.33314,
11956,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2][C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])([H:8])([H:9])[H:10].[O:3]([H:11])[H:12],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2.H2O/c1-2-3-6-4-5;/h4H,3H2,1H3;1H2",76.63046999999999,81.75287,
11957,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:6]([O:7][H:12])([H:15])[O:5][C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O3/c1-3-2-6-4(5)7-3/h3-5H,2H2,1H3/t3-,4+/m1/s1",43.8182,6.42893,
11958,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[H:14])[H:11])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:13])[H:15],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6O2.CH2O/c1-3(5)2-4;1-2/h2-3,5H,1H3;1H2/t3-;/m1./s1",73.72766999999999,31.87166,
11959,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])[H:10].[O:3]([H:9])[H:12],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2.H2O/c1-2-3-6-4-5;/h2,4H,1,3H2;1H2",66.77095,16.40895,"1,3_Insertion_ROR"
11960,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([O:5][C:6]([O:7][H:12])([H:11])[H:15])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h5H,2-3H2,1H3",52.4926,15.24899,