idx,rsmi,psmi,rinchi,pinchi,dE0,dHrxn298,rmg_family
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+",64.99521999999999,39.7074,ketoenol
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",68.84957,14.126129999999998,"1,3_Insertion_ROR"
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",65.24584,12.35638,"1,3_Insertion_ROR"
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",71.60463,64.9453,Singlet_Carbene_Intra_Disproportionation
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;1H2,44.00671,23.20897,Retroene
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",69.59524,44.54889,Retroene
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",74.59363,21.543879999999998,"1,3_Insertion_ROR"
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-;",60.501830000000005,8.42243,2+2_cycloaddition
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",64.59506999999999,5.52773,2+2_cycloaddition
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",64.56919,53.347609999999996,Singlet_Carbene_Intra_Disproportionation
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;1H2,52.228359999999995,25.147370000000002,2+2_cycloaddition
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",60.449009999999994,24.87799,ketoenol
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",58.56474,45.979620000000004,Singlet_Carbene_Intra_Disproportionation
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+",77.1575,22.7688,ketoenol
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+;",56.94605,33.08262,Retroene