key,smiles,solvent,peakwavs_max
14657,Oc1ccc(Nc2ccc3ccccc3n2)cc1,CCO,361.0
14657,Oc1ccc(Nc2ccc3ccccc3n2)cc1,CCOC(C)=O,359.0
9645,COc1ccc(Nc2ccc3ccccc3n2)cc1,CCO,358.0
9645,COc1ccc(Nc2ccc3ccccc3n2)cc1,CCOC(C)=O,358.0
9645,COc1ccc(Nc2ccc3ccccc3n2)cc1,Cc1ccccc1,353.0
14657,Oc1ccc(Nc2ccc3ccccc3n2)cc1,Cc1ccccc1,354.0
11782,Clc1ccc(Nc2ccc3ccccc3n2)cc1,CCO,350.0
11782,Clc1ccc(Nc2ccc3ccccc3n2)cc1,CCOC(C)=O,347.0
11782,Clc1ccc(Nc2ccc3ccccc3n2)cc1,Cc1ccccc1,347.0
44,Brc1ccc(Nc2ccc3ccccc3n2)cc1,CCO,351.0
44,Brc1ccc(Nc2ccc3ccccc3n2)cc1,CCOC(C)=O,347.0
44,Brc1ccc(Nc2ccc3ccccc3n2)cc1,Cc1ccccc1,347.0
15315,c1ccc(Nc2ccc3ccccc3n2)cc1,CCO,350.0
15315,c1ccc(Nc2ccc3ccccc3n2)cc1,CCOC(C)=O,349.0
15315,c1ccc(Nc2ccc3ccccc3n2)cc1,Cc1ccccc1,348.0
7076,CCc1ccc(Nc2ccc3ccccc3n2)cc1,CCO,354.0
7076,CCc1ccc(Nc2ccc3ccccc3n2)cc1,CCOC(C)=O,353.0
7076,CCc1ccc(Nc2ccc3ccccc3n2)cc1,Cc1ccccc1,350.0
14364,O=[N+]([O-])c1ccc(Nc2ccc3ccccc3n2)cc1,CCO,385.0
14364,O=[N+]([O-])c1ccc(Nc2ccc3ccccc3n2)cc1,CCOC(C)=O,379.0
14364,O=[N+]([O-])c1ccc(Nc2ccc3ccccc3n2)cc1,Cc1ccccc1,373.0
12222,Fc1ccc(Nc2ccc3ccccc3n2)cc1,CCO,350.0
12222,Fc1ccc(Nc2ccc3ccccc3n2)cc1,CCOC(C)=O,349.0
12222,Fc1ccc(Nc2ccc3ccccc3n2)cc1,Cc1ccccc1,348.0
11363,Cc1ccc(Nc2ccc3ccccc3n2)cc1,CCO,355.0
11363,Cc1ccc(Nc2ccc3ccccc3n2)cc1,CCOC(C)=O,353.0
11363,Cc1ccc(Nc2ccc3ccccc3n2)cc1,Cc1ccccc1,350.0
11357,Cc1ccc(NC(=O)c2sc(Br)nc2C)cc1,ClC(Cl)Cl,288.3
11357,Cc1ccc(NC(=O)c2sc(Br)nc2C)cc1,C1CCOC1,301.5
11357,Cc1ccc(NC(=O)c2sc(Br)nc2C)cc1,CC#N,281.6
11357,Cc1ccc(NC(=O)c2sc(Br)nc2C)cc1,CCCCCC,286.9
11357,Cc1ccc(NC(=O)c2sc(Br)nc2C)cc1,CCOC(C)=O,286.1
11357,Cc1ccc(NC(=O)c2sc(Br)nc2C)cc1,CN(C)C=O,287.1
11357,Cc1ccc(NC(=O)c2sc(Br)nc2C)cc1,CO,282.1
11357,Cc1ccc(NC(=O)c2sc(Br)nc2C)cc1,CS(C)=O,283.5
10781,Cc1cc(C)cc(NC(=O)c2sc(Br)nc2C)c1,C1CCOC1,293.4
10781,Cc1cc(C)cc(NC(=O)c2sc(Br)nc2C)c1,CC#N,285.0
10781,Cc1cc(C)cc(NC(=O)c2sc(Br)nc2C)c1,CCCCCC,280.5
10781,Cc1cc(C)cc(NC(=O)c2sc(Br)nc2C)c1,CCOC(C)=O,282.5
10781,Cc1cc(C)cc(NC(=O)c2sc(Br)nc2C)c1,CN(C)C=O,285.3
10781,Cc1cc(C)cc(NC(=O)c2sc(Br)nc2C)c1,CO,271.5
10781,Cc1cc(C)cc(NC(=O)c2sc(Br)nc2C)c1,CS(C)=O,283.1
10781,Cc1cc(C)cc(NC(=O)c2sc(Br)nc2C)c1,ClC(Cl)Cl,278.0
2813,CCCCCC(=O)Oc1cc2[nH]c(cc2CCOC)c2nc(ccc3[nH]c(cc3CCOC)c3nc1C(CCOC)=C3)C(CCOC)=C2,Cc1ccccc1,646.0
2535,CCCC1=Cc2nc1ccc1[nH]c(c3nc(ccc4[nH]c2cc4CCC)C(CCC)=C3)c(CN(C)C)c1CCC,Cc1ccccc1,643.0
2536,CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(c(N)cc3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,710.0
2537,CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(c(NC(=O)CCCC(=O)O)cc3[nH]c2cc3CCC)C(CCC)=C1,ClCCl,636.0
2538,CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(c(NC(=O)CCCC(=O)OC)cc3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,634.0
2539,CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(c(NC(C)=O)cc3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,639.0
2540,CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(c(O)cc3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,677.0
2541,CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(c(OC(=O)CCCC(=O)OC(C)(C)C)cc3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,645.0
2542,CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(c(OC(=O)CCCNC(=O)OC(C)(C)C)cc3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,645.0
2543,CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(c(OC(=O)CNC(=O)OC(C)(C)C)cc3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,644.0
2544,CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(c(OC(C)=O)cc3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,645.0
2545,CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(c(OC)cc3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,682.0
2548,CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(ccc3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,667.0
2549,CCCC1=Cc2nc1ccc1[nH]c(cc1CCO)c1nc(ccc3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,637.0
2550,CCCC1=Cc2nc1ccc1[nH]c(cc1CCO)c1nc(ccc3[nH]c2cc3CCC)C(CCO)=C1,Cc1ccccc1,638.0
2551,CCCC1=Cc2nc1ccc1[nH]c(cc1CCOC)c1nc(ccc3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,637.0
2552,CCCC1=Cc2nc1ccc1[nH]c(cc1CCOC)c1nc(ccc3[nH]c2cc3CCC)C(CCOC)=C1,Cc1ccccc1,638.0
3076,CCCCCCCCCCCCCCCCCC(=O)Oc1cc2[nH]c(cc2CCOC)c2nc(ccc3[nH]c(cc3CCOC)c3nc1C(CCOC)=C3)C(CCOC)=C2,Cc1ccccc1,646.0
6867,CCOCCC1=Cc2nc1ccc1[nH]c(cc1CCOCC)c1nc(ccc3[nH]c2cc3CCOCC)C(CCOCC)=C1,Cc1ccccc1,638.0
2952,CCCCCCCCC(=O)Oc1cc2[nH]c(cc2CCOC)c2nc(ccc3[nH]c(cc3CCOC)c3nc1C(CCOC)=C3)C(CCOC)=C2,Cc1ccccc1,647.0
4222,CCCCCCOc1cc2[nH]c(cc2CCOC)c2nc(ccc3[nH]c(cc3CCOC)c3nc1C(CCOC)=C3)C(CCOC)=C2,Cc1ccccc1,684.0
8483,COCCC1=Cc2nc1ccc1[nH]c(c3nc(ccc4[nH]c2cc4CCOC)C(CCOC)=C3)c(CN(C)C)c1CCOC,Cc1ccccc1,643.0
8485,COCCC1=Cc2nc1ccc1[nH]c(cc1CCOC)c1nc(c(N)cc3[nH]c2cc3CCOC)C(CCOC)=C1,Cc1ccccc1,716.0
8487,COCCC1=Cc2nc1ccc1[nH]c(cc1CCOC)c1nc(c(NC(=O)CCCC(=O)O)cc3[nH]c2cc3CCOC)C(CCOC)=C1,Cc1ccccc1,645.0
8488,COCCC1=Cc2nc1ccc1[nH]c(cc1CCOC)c1nc(c(NC(=O)CCCC(=O)OC)cc3[nH]c2cc3CCOC)C(CCOC)=C1,Cc1ccccc1,670.0
8489,COCCC1=Cc2nc1ccc1[nH]c(cc1CCOC)c1nc(c(NC(C)=O)cc3[nH]c2cc3CCOC)C(CCOC)=C1,Cc1ccccc1,670.0
8490,COCCC1=Cc2nc1ccc1[nH]c(cc1CCOC)c1nc(c(O)cc3[nH]c2cc3CCOC)C(CCOC)=C1,Cc1ccccc1,680.0
8491,COCCC1=Cc2nc1ccc1[nH]c(cc1CCOC)c1nc(c(OC(=O)CNC(=O)OC(C)(C)C)cc3[nH]c2cc3CCOC)C(CCOC)=C1,Cc1ccccc1,644.0
8492,COCCC1=Cc2nc1ccc1[nH]c(cc1CCOC)c1nc(c(OC(C)=O)cc3[nH]c2cc3CCOC)C(CCOC)=C1,Cc1ccccc1,647.0
8493,COCCC1=Cc2nc1ccc1[nH]c(cc1CCOC)c1nc(c(OC)cc3[nH]c2cc3CCOC)C(CCOC)=C1,Cc1ccccc1,684.0
8494,COCCC1=Cc2nc1ccc1[nH]c(cc1CCOC)c1nc(ccc3[nH]c2cc3CCO)C(CCOC)=C1,Cc1ccccc1,637.0
8495,COCCC1=Cc2nc1ccc1[nH]c(cc1CCOC)c1nc(ccc3[nH]c2cc3CCOC)C(CCOC)=C1,Cc1ccccc1,638.0
5011,CCCCCCn1c(=O)c2c3nc4ccccc4nc3c3c(=O)n(CCCCCC)c(=O)c3c2c1=O,ClCCl,404.0
1730,CC1(C)c2cc(-c3ccncc3)cc3c2N2c4c1cc(-c1ccncc1)cc4C(C)(C)c1cc(-c4ccncc4)cc(c12)C3(C)C,ClCCl,373.0
1017,CC(C)(C)c1ccc(-c2cc3ccc(/C=C(/C#N)C(=O)O)c4cc(-c5ccc(C(C)(C)C)cc5)c5ccc2n5c34)cc1,CN(C)C=O,465.0
2651,CCCCC(CC)COc1ccc(-c2cc3ccc(C=C(C#N)C(=O)O)c4cc(-c5ccc(OCC(CC)CCCC)cc5)c5ccc2n5c34)cc1,ClC(Cl)Cl,530.0
12312,N#C/C(=C/c1ccc2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc1c2n34)C(=O)O,CN(C)C=O,446.0
12275,N#C/C(=C/c1ccc(-c2ccc(N(c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)cc2)s1)C(=O)O,C1CCOC1,425.0
12275,N#C/C(=C/c1ccc(-c2ccc(N(c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)cc2)s1)C(=O)O,CN(C)C=O,436.0
12276,N#C/C(=C/c1ccc(-c2ccc(N(c3ccc(-c4cccs4)cc3)c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)cc2)s1)C(=O)O,CN(C)C=O,421.0
4921,CCCCCCc1ccc(-c2ccc(N(c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)c3ccc(-c4ccc(CCCCCC)s4)cc3)cc2)s1,ClCCl,493.0
12689,N#CC(=Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)cc3)c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)cc3)cc2)s1)C(=O)O,ClC(Cl)Cl,484.0
12450,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)cc2)s1)C(=O)O,CN(C)C=O,436.0
12456,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(-c4cccs4)cc3)c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)cc2)s1)C(=O)O,CN(C)C=O,421.0
12458,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(-c4cccs4)cc3)c3ccc(-c4cccs4)cc3)cc2)s1)C(=O)O,CN(C)C=O,419.0
12458,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(-c4cccs4)cc3)c3ccc(-c4cccs4)cc3)cc2)s1)C(=O)O,ClCCl,470.0
1119,CC(C)(C)c1ccc(N(c2ccc(-c3ccc(C4=[O+][B-](F)(F)OC(c5ccc(-c6ccc(C(=O)O)cc6)cc5)=C4)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1,CC#N,487.0
3530,CCCCCCCCOc1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ncc(-c6ccc(C=C(C#N)C(=O)O)s6)c6nc(-c7ccccc7)c(-c7ccccc7)nc56)sc3-4)c3ccc(-c4ccc(OCCCCCCCC)cc4OCCCCCCCC)cc3-c3ccc(OCCCCCCCC)cc3OCCCCCCCC)cc2)c(OCCCCCCCC)c1,ClCCl,628.0
9588,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)c4nsnc34)s2)cc1,ClCCl,650.0
12699,N#CC(=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)s2)c2nsnc12)C(=O)O,ClCCl,613.0
4523,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)c4nsnc34)s2)cc1,ClCCl,654.0
15125,c1ccc(-c2nn(-c3ccccc3)c3nc4ccccc4cc23)cc1,C1CCOC1,398.5651654
15125,c1ccc(-c2nn(-c3ccccc3)c3nc4ccccc4cc23)cc1,CC#N,396.8253968
15125,c1ccc(-c2nn(-c3ccccc3)c3nc4ccccc4cc23)cc1,CC(C)=O,396.039604
15125,c1ccc(-c2nn(-c3ccccc3)c3nc4ccccc4cc23)cc1,CCCCCl,398.7240829
15125,c1ccc(-c2nn(-c3ccccc3)c3nc4ccccc4cc23)cc1,CCCCOCCCC,398.5651654
15125,c1ccc(-c2nn(-c3ccccc3)c3nc4ccccc4cc23)cc1,CN(C)C=O,397.93076
15125,c1ccc(-c2nn(-c3ccccc3)c3nc4ccccc4cc23)cc1,C1CCCCC1,401.4452027
7751,CN(C)c1ccc2nc3c(cc2c1)c(-c1ccccc1)nn3-c1ccccc1,CCCCCl,448.4304933
7751,CN(C)c1ccc2nc3c(cc2c1)c(-c1ccccc1)nn3-c1ccccc1,CCCCOCCCC,444.6420631
7751,CN(C)c1ccc2nc3c(cc2c1)c(-c1ccccc1)nn3-c1ccccc1,CN(C)C=O,452.6935265
7751,CN(C)c1ccc2nc3c(cc2c1)c(-c1ccccc1)nn3-c1ccccc1,C1CCCCC1,439.5604396
7751,CN(C)c1ccc2nc3c(cc2c1)c(-c1ccccc1)nn3-c1ccccc1,C1CCOC1,450.0450045
7751,CN(C)c1ccc2nc3c(cc2c1)c(-c1ccccc1)nn3-c1ccccc1,CC#N,449.2362983
7751,CN(C)c1ccc2nc3c(cc2c1)c(-c1ccccc1)nn3-c1ccccc1,CC(C)=O,450.4504505
370,C/C(=N\Nc1ccc(C#N)cc1)c1ccccn1,ClC(Cl)Cl,343.0
370,C/C(=N\Nc1ccc(C#N)cc1)c1ccccn1,CC#N,342.0
370,C/C(=N\Nc1ccc(C#N)cc1)c1ccccn1,CCCCCC,347.0
370,C/C(=N\Nc1ccc(C#N)cc1)c1ccccn1,CO,364.0
370,C/C(=N\Nc1ccc(C#N)cc1)c1ccccn1,CS(C)=O,351.0
5971,CCN(CC)c1ccc(/C=C/C2=[O+][B-](F)(F)Oc3c2c(=O)oc2cc(N(CC)CC)ccc32)cc1,C1CCCCC1,542.0
5971,CCN(CC)c1ccc(/C=C/C2=[O+][B-](F)(F)Oc3c2c(=O)oc2cc(N(CC)CC)ccc32)cc1,C1COCCO1,569.0
5971,CCN(CC)c1ccc(/C=C/C2=[O+][B-](F)(F)Oc3c2c(=O)oc2cc(N(CC)CC)ccc32)cc1,CC#N,589.0
5971,CCN(CC)c1ccc(/C=C/C2=[O+][B-](F)(F)Oc3c2c(=O)oc2cc(N(CC)CC)ccc32)cc1,CC(C)=O,584.0
5971,CCN(CC)c1ccc(/C=C/C2=[O+][B-](F)(F)Oc3c2c(=O)oc2cc(N(CC)CC)ccc32)cc1,CCO,581.0
5971,CCN(CC)c1ccc(/C=C/C2=[O+][B-](F)(F)Oc3c2c(=O)oc2cc(N(CC)CC)ccc32)cc1,CCOC(C)=O,571.0
5971,CCN(CC)c1ccc(/C=C/C2=[O+][B-](F)(F)Oc3c2c(=O)oc2cc(N(CC)CC)ccc32)cc1,CO,582.0
5971,CCN(CC)c1ccc(/C=C/C2=[O+][B-](F)(F)Oc3c2c(=O)oc2cc(N(CC)CC)ccc32)cc1,CS(C)=O,607.0
5971,CCN(CC)c1ccc(/C=C/C2=[O+][B-](F)(F)Oc3c2c(=O)oc2cc(N(CC)CC)ccc32)cc1,Cc1ccccc1,567.0
5971,CCN(CC)c1ccc(/C=C/C2=[O+][B-](F)(F)Oc3c2c(=O)oc2cc(N(CC)CC)ccc32)cc1,ClC(Cl)Cl,581.0
5971,CCN(CC)c1ccc(/C=C/C2=[O+][B-](F)(F)Oc3c2c(=O)oc2cc(N(CC)CC)ccc32)cc1,ClCCl,587.0
5971,CCN(CC)c1ccc(/C=C/C2=[O+][B-](F)(F)Oc3c2c(=O)oc2cc(N(CC)CC)ccc32)cc1,OCC(O)CO,610.0
5971,CCN(CC)c1ccc(/C=C/C2=[O+][B-](F)(F)Oc3c2c(=O)oc2cc(N(CC)CC)ccc32)cc1,OCCO,605.0
12924,N#Cc1c(-c2ccccc2)c(N)n2ccncc12,CN(C)C=O,399.0
6219,CCN(CC)c1ccc2cc(/C=C/C3=CC(/C=C/c4cc5ccc(N(CC)CC)cc5oc4=O)=[O+][B-](F)(F)O3)c(=O)oc2c1,CC#N,630.0
6219,CCN(CC)c1ccc2cc(/C=C/C3=CC(/C=C/c4cc5ccc(N(CC)CC)cc5oc4=O)=[O+][B-](F)(F)O3)c(=O)oc2c1,CC(C)=O,620.0
6219,CCN(CC)c1ccc2cc(/C=C/C3=CC(/C=C/c4cc5ccc(N(CC)CC)cc5oc4=O)=[O+][B-](F)(F)O3)c(=O)oc2c1,CCOC(C)=O,604.0
6219,CCN(CC)c1ccc2cc(/C=C/C3=CC(/C=C/c4cc5ccc(N(CC)CC)cc5oc4=O)=[O+][B-](F)(F)O3)c(=O)oc2c1,CN(C)C=O,641.0
6219,CCN(CC)c1ccc2cc(/C=C/C3=CC(/C=C/c4cc5ccc(N(CC)CC)cc5oc4=O)=[O+][B-](F)(F)O3)c(=O)oc2c1,CS(C)=O,652.0
6219,CCN(CC)c1ccc2cc(/C=C/C3=CC(/C=C/c4cc5ccc(N(CC)CC)cc5oc4=O)=[O+][B-](F)(F)O3)c(=O)oc2c1,Cc1ccccc1,598.0
6219,CCN(CC)c1ccc2cc(/C=C/C3=CC(/C=C/c4cc5ccc(N(CC)CC)cc5oc4=O)=[O+][B-](F)(F)O3)c(=O)oc2c1,ClC(Cl)Cl,615.0
6219,CCN(CC)c1ccc2cc(/C=C/C3=CC(/C=C/c4cc5ccc(N(CC)CC)cc5oc4=O)=[O+][B-](F)(F)O3)c(=O)oc2c1,ClCCl,625.0
6634,CCOC(=O)CSc1nc2c(c(C#N)c1C#N)CCCC2,c1ccccc1,364.0
14125,O=Cc1ccc(-c2ccc(C3=CCC(c4ccccc4)CC3)s2)s1,OCCOCCO,389.0
385,C1=C(c2ccc(-c3cccs3)s2)CCC(c2ccccc2)C1,C1CCOC1,342.0
385,C1=C(c2ccc(-c3cccs3)s2)CCC(c2ccccc2)C1,CC#N,341.0
385,C1=C(c2ccc(-c3cccs3)s2)CCC(c2ccccc2)C1,CCCCCC,344.0
385,C1=C(c2ccc(-c3cccs3)s2)CCC(c2ccccc2)C1,CCO,341.0
385,C1=C(c2ccc(-c3cccs3)s2)CCC(c2ccccc2)C1,OCCOCCO,346.0
385,C1=C(c2ccc(-c3cccs3)s2)CCC(c2ccccc2)C1,c1ccncc1,347.0
14125,O=Cc1ccc(-c2ccc(C3=CCC(c4ccccc4)CC3)s2)s1,c1ccncc1,393.0
14125,O=Cc1ccc(-c2ccc(C3=CCC(c4ccccc4)CC3)s2)s1,C1CCOC1,385.0
13082,N#Cc1ccc(-c2ccc(C3=CCC(c4ccccc4)CC3)s2)s1,C1CCOC1,367.0
13082,N#Cc1ccc(-c2ccc(C3=CCC(c4ccccc4)CC3)s2)s1,CC#N,366.0
13082,N#Cc1ccc(-c2ccc(C3=CCC(c4ccccc4)CC3)s2)s1,CCCCCC,366.0
13082,N#Cc1ccc(-c2ccc(C3=CCC(c4ccccc4)CC3)s2)s1,CCO,369.5
13082,N#Cc1ccc(-c2ccc(C3=CCC(c4ccccc4)CC3)s2)s1,OCCOCCO,372.0
13082,N#Cc1ccc(-c2ccc(C3=CCC(c4ccccc4)CC3)s2)s1,c1ccncc1,373.0
14125,O=Cc1ccc(-c2ccc(C3=CCC(c4ccccc4)CC3)s2)s1,CC#N,385.0
14125,O=Cc1ccc(-c2ccc(C3=CCC(c4ccccc4)CC3)s2)s1,CCCCCC,380.0
14125,O=Cc1ccc(-c2ccc(C3=CCC(c4ccccc4)CC3)s2)s1,CCO,391.0
2199,CC1CCC(O)(c2ccc(-c3cccs3)s2)CC1,C1CCOC1,341.0
2199,CC1CCC(O)(c2ccc(-c3cccs3)s2)CC1,CC#N,341.0
2199,CC1CCC(O)(c2ccc(-c3cccs3)s2)CC1,CCCCCC,341.0
2199,CC1CCC(O)(c2ccc(-c3cccs3)s2)CC1,CCO,341.0
2199,CC1CCC(O)(c2ccc(-c3cccs3)s2)CC1,OCCOCCO,345.0
2199,CC1CCC(O)(c2ccc(-c3cccs3)s2)CC1,c1ccncc1,345.0
14572,OC1(c2ccc(-c3cccs3)s2)CCCCC1,C1CCOC1,312.0
14572,OC1(c2ccc(-c3cccs3)s2)CCCCC1,CC#N,309.0
14572,OC1(c2ccc(-c3cccs3)s2)CCCCC1,CCCCCC,308.0
14572,OC1(c2ccc(-c3cccs3)s2)CCCCC1,CCO,309.0
14572,OC1(c2ccc(-c3cccs3)s2)CCCCC1,OCCOCCO,317.0
14572,OC1(c2ccc(-c3cccs3)s2)CCCCC1,c1ccncc1,315.0
5943,CCN(CC)c1ccc(-c2ccc(-c3nc(C#N)c4ccccc4n3)s2)cc1,CC#N,397.0
5943,CCN(CC)c1ccc(-c2ccc(-c3nc(C#N)c4ccccc4n3)s2)cc1,Cc1ccccc1,402.0
1399,CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c4ccccc4c(=O)c4ccccc4c3nc12)(C(C)C)C(C)C,ClCCl,615.0
15437,c1ccc2c(c1)c1ccccc1n1cccc21,CC#N,329.0
5947,CCN(CC)c1ccc(-c2nc(Oc3ccc(-c4nc5cc([N+](=O)[O-])ccc5[nH]4)cc3)nc(Oc3ccc(-c4nc5cc([N+](=O)[O-])ccc5[nH]4)cc3)n2)cc1,CN(C)C=O,383.0
5949,CCN(CC)c1ccc(-c2nc(Oc3ccc(-c4nc5ccccc5[nH]4)cc3)nc(Oc3ccc(-c4nc5ccccc5[nH]4)cc3)n2)cc1,CN(C)C=O,376.0
14444,O=c1c(N(c2ccccc2)c2ccc3ccccc3c2)c([O-])/c1=[N+](\c1ccccc1)c1ccc2ccccc2c1,CN(C)C=O,423.0
1190,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(C(=O)c2ccccn2)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1,Cc1ccccc1,394.0
6073,CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3c([o+]c2c1)/C(=C/c1ccc(N(C)C)s1)CCC3,ClCCl,733.0
9962,COc1ccccc1-c1nc2c3cccnc3c3ncccc3c2n1-c1ccccc1,Cc1ccccc1,363.0
14696,Oc1ccccc1-c1nc2c3cccnc3c3ncccc3c2n1-c1ccccc1,Cc1ccccc1,334.0
6150,CCN(CC)c1ccc2c(c1)Oc1cc3c(cc1=C2c1ccccc1C(=O)[O-])Sc1ccccc1[N+]=3CC,CCO,606.0
2034,CC1=CC(C)(C)Nc2ccc3c(-c4cccc(CN5CCCCC5)c4)c4ccc(=[NH2+])cc-4n(C)c3c21,O,505.0
1606,CC1(C)C(c2ncc(/C=C(\C#N)C(=O)O)s2)=Nc2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,480.0
4267,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)c3ccc4c5sc(-c6ccc(-c7ccc(C=C(C#N)C(=O)O)cc7)c7nsnc67)cc5n(CC)c4c3)cc2)c(OCCCCCC)c1,C1CCOC1,531.0
4268,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)c3ccc4c5sc(-c6ccc(-c7ccc(C=C(C#N)C(=O)O)cc7)c7nsnc67)cc5n(CCCCCC)c4c3)cc2)c(OCCCCCC)c1,C1CCOC1,543.0
8030,CN1c2cc3c(cc2-c2ccsc2C1(C)C)C(c1ccccc1C(=O)[O-])=c1cc2c(cc1O3)=[N+](C)C(C)(C)c1sccc1-2,CO,581.0
6021,CCN(CC)c1ccc(C=C(C#N)c2nc3ccc(C(=O)O)cc3[nH]2)cc1,CN(C)C=O,421.0
8663,COc1cc(/C2=C3\C=CC(=N3)/C(c3cc(OC)c(OC)c(OC)c3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccc(/N=C/c3ccc(C(=O)O)cc3)cc2)=C2/C=CC(=N2)/C=4c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,CN(C)C=O,600.0
15052,c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ccccc54)c3)n2)cc1,Cc1ccccc1,359.602649
14230,O=S(=O)([O-])c1ccccc1-c1c2ccc(N3C4CCC3CC4)cc2[o+]c2cc(N3C4CCC3CC4)ccc12,CO,548.0
11657,Cc1nc(-c2ccccc2)c2ccccn12,C1CCCCC1,374.0
11657,Cc1nc(-c2ccccc2)c2ccccn12,CC#N,364.0
11657,Cc1nc(-c2ccccc2)c2ccccn12,CO,354.0
11657,Cc1nc(-c2ccccc2)c2ccccn12,ClCCl,367.0
11657,Cc1nc(-c2ccccc2)c2ccccn12,O,338.0
1297,CC(C)(C)c1ccc2oc3nc4oc5ccc(-n6c7ccccc7c(=O)c7ccccc76)cc5c4cc3c2c1,ClC(Cl)Cl,396.0
3210,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)s2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(N(C)C)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,671.0
2997,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc4c(c3)C3CCCC3N4c3ccc(C)cc3)ccc2-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc21,ClCCl,433.0
2998,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc4c(c3)C3CCCC3N4c3ccc(OC)cc3)ccc2-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc21,ClCCl,439.0
10193,C[Si](C)(C)c1sc([Si](C)(C)C)c2c1sc1c3sc4c(sc5c4sc4c([Si](C)(C)C)sc([Si](C)(C)C)c45)c3sc12,ClC(Cl)Cl,405.0
10123,C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCCCCC5)c4F)C=C3CCC2)C(C)(C)c2ccccc21,CCO,632.0
10123,C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCCCCC5)c4F)C=C3CCC2)C(C)(C)c2ccccc21,ClC(Cl)Cl,709.0
10123,C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCCCCC5)c4F)C=C3CCC2)C(C)(C)c2ccccc21,O,634.0
12523,N#C/C(=C\c1ccc(/C=C/c2ccc3cc(N4CCCC4)ccc3c2)cc1)C(=O)O,CCO,422.0
8508,COCCOCCOCCN1c2ccccc2Sc2cc(C3=C(C#N)C(OC)=NC34C(C#N)=C(N)Oc3ccccc34)ccc21,CS(C)=O,444.0
8507,COCCOCCOCCN1c2ccccc2Sc2cc(C3=C(C#N)C(NCCN)=NC34C(C#N)=C(N)Oc3ccccc34)ccc21,C1CCOC1,422.0
8507,COCCOCCOCCN1c2ccccc2Sc2cc(C3=C(C#N)C(NCCN)=NC34C(C#N)=C(N)Oc3ccccc34)ccc21,CS(C)=O,427.0
8508,COCCOCCOCCN1c2ccccc2Sc2cc(C3=C(C#N)C(OC)=NC34C(C#N)=C(N)Oc3ccccc34)ccc21,C1CCOC1,435.0
15267,c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3-4)cc2)cc1,ClCCl,375.0
3560,CCCCCCCCOc1ccc(N(c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)c2ccc3c(c2)Sc2cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc2N3CCCCCCCC)cc1,C1CCOC1,481.0
7476,CN(C)c1ccc(/C=c2\o/c(=C\c3ccc4ccccc4c3)c3ccccc23)cc1,ClCCl,417.0
495,C=CC(=CC)N(c1ccccc1)c1ccc(-c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)o4)c4nn(CCCCCC)nc34)o2)cc1,C1CCOC1,460.0
3829,CCCCCCCCn1c2ccccc2c(=O)c2ccccc21,CS(C)=O,404.0
611,CC(=O)Nc1ccc2c(c1)c(=O)c1cc(NC(C)=O)ccc1n2CCCCCC(=O)O,O,430.0
612,CC(=O)Nc1ccc2c(c1)c(=O)c1ccccc1n2CCCCCC(=O)O,O,398.0
11869,Cn1c2ccc(S(=O)(=O)Cl)cc2c(=O)c2cc(S(=O)(=O)Cl)ccc21,CS(C)=O,406.0
11870,Cn1c2ccc(S(=O)(=O)O)cc2c(=O)c2cc(S(=O)(=O)O)ccc21,CS(C)=O,405.0
11870,Cn1c2ccc(S(=O)(=O)O)cc2c(=O)c2cc(S(=O)(=O)O)ccc21,O,403.0
11872,Cn1c2ccccc2c(=O)c2ccccc21,CS(C)=O,403.0
11872,Cn1c2ccccc2c(=O)c2ccccc21,O,394.0
1515,CC(C)n1c2cc(O)c(F)cc2c(=O)c2cc(F)c(O)cc21,CCO,379.0
14453,O=c1c2cc(Cl)ccc2[nH]c2ccc(COO)cc12,O,415.0
8851,COc1cc2c(cc1F)c(=O)c1cc(F)c(OC)cc1n2C(C)C,CCO,383.0
13770,O=C(O)c1cccc2c(=O)c3ccccc3[nH]c12,O,413.0
14466,O=c1c2cc(S(=O)(=O)Cl)ccc2[nH]c2ccc(S(=O)(=O)Cl)cc12,CS(C)=O,399.0
14467,O=c1c2cc(S(=O)(=O)O)ccc2[nH]c2ccc(S(=O)(=O)O)cc12,CS(C)=O,399.0
9734,COc1ccc2c(c1)c(=O)c1ccccc1n2CCCCCC(=O)O,O,422.0
13664,O=C(O)Cn1c2ccccc2c(=O)c2ccccc21,O,409.0
14467,O=c1c2cc(S(=O)(=O)O)ccc2[nH]c2ccc(S(=O)(=O)O)cc12,O,396.0
13560,O=C(O)CCCCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12,O,409.0
5210,CCCCCn1c2ccc(S(=O)(=O)Cl)cc2c(=O)c2cc(S(=O)(=O)Cl)ccc21,CS(C)=O,406.0
5211,CCCCCn1c2ccc(S(=O)(=O)O)cc2c(=O)c2cc(S(=O)(=O)O)ccc21,CS(C)=O,406.0
5211,CCCCCn1c2ccc(S(=O)(=O)O)cc2c(=O)c2cc(S(=O)(=O)O)ccc21,O,406.0
5212,CCCCCn1c2ccccc2c(=O)c2ccccc21,CS(C)=O,403.0
5212,CCCCCn1c2ccccc2c(=O)c2ccccc21,O,394.0
14477,O=c1c2ccccc2[nH]c2ccccc12,CS(C)=O,398.0
14477,O=c1c2ccccc2[nH]c2ccccc12,O,385.0
13570,O=C(O)CCCCCn1c2ccc(Br)cc2c(=O)c2cc(Br)ccc21,O,425.0
13571,O=C(O)CCCCCn1c2ccc(Br)cc2c(=O)c2cc(S(=O)(=O)O)ccc21,O,416.0
13573,O=C(O)CCCCCn1c2ccccc2c(=O)c2cc(Br)ccc21,O,439.0
6591,CCOC(=O)CCCCCn1c2ccc(N)cc2c(=O)c2cc(N)ccc21,O,455.0
13574,O=C(O)CCCCCn1c2ccccc2c(=O)c2cc(F)ccc21,O,420.0
13575,O=C(O)CCCCCn1c2ccccc2c(=O)c2cc(S(=O)(=O)O)ccc21,O,409.0
6594,CCOC(=O)CCCCCn1c2ccc([N+](=O)[O-])cc2c(=O)c2cc([N+](=O)[O-])ccc21,CCO,387.0
11447,Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCCCC(=O)O,O,419.0
6596,CCOC(=O)CCCCCn1c2ccccc2c(=O)c2cc(I)ccc21,CO,414.0
6597,CCOC(=O)CCCCCn1c2ccccc2c(=O)c2cc(N)ccc21,O,405.0
6598,CCOC(=O)CCCCCn1c2ccccc2c(=O)c2cc([N+](=O)[O-])ccc21,O,413.0
13576,O=C(O)CCCCCn1c2ccccc2c(=O)c2ccccc21,O,410.0
7287,CN(C)c1cc2c(cc1F)c(=O)c1cc(F)c(N(C)C)cc1n2C,CCO,384.0
7288,CN(C)c1cc2c(cc1F)c(=O)c1cc(F)c(N)cc1n2C,CCO,369.0
1381,CC(C)Nc1cc2c(cc1F)c(=O)c1cc(F)c(NC(C)C)cc1n2C,CCO,377.0
1382,CC(C)Nc1cc2c(cc1F)c(=O)c1cc(F)c(NC(C)C)cc1n2C(C)C,CCO,376.0
5517,CCCCOc1ccccc1/C1=C2\C=CC(=N2)/C(c2ccccc2OCCCC)=c2/cc/c3n2[Zn]n2c1ccc2/C(c1ccccc1OCCCC)=C1\N=C(C=C1C#Cc1ccc(/C=C(\C#N)C(=O)O)cc1)/C=3c1ccccc1OCCCC,C1CCOC1,607.0
1072,CC(C)(C)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(C)(C)C)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C(C)(C)C)cc2)=C2\N=C(C=C2C#Cc2ccc(C(=O)O)cc2)/C=4c2ccc(C(C)(C)C)cc2)cc1,ClCCl,606.0
13739,O=C(O)c1ccc(C#CC2=CC3=N/C2=C(/c2ccccc2)c2ccc4n2[Zn]n2/c(cc/c2=C/3c2ccccc2)=C(/c2ccccc2)C2=N/C(=C\4c3ccccc3)C=C2)cc1,ClCCl,604.0
3223,CCCCCCCCCCCCOc1ccccc1/C1=C2\C=CC(=N2)/C(c2ccccc2OCCCCCCCCCCCC)=c2/cc/c3n2[Zn]n2c1ccc2/C(c1ccccc1OCCCCCCCCCCCC)=C1\N=C(C=C1C#Cc1ccc(/C=C(\C#N)C(=O)O)cc1)/C=3c1ccccc1OCCCCCCCCCCCC,C1CCOC1,604.0
11042,Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C)cc2)=C2\N=C(C=C2C#Cc2ccc(C(=O)O)cc2)/C=4c2ccc(C)cc2)cc1,ClCCl,605.0
2675,CCCCC(CC)COc1ccccc1/C1=C2\C=CC(=N2)/C(c2ccccc2OCC(CC)CCCC)=c2/cc/c3n2[Zn]n2c1ccc2/C(c1ccccc1OCC(CC)CCCC)=C1\N=C(C=C1C#Cc1ccc(/C=C(\C#N)C(=O)O)cc1)/C=3c1ccccc1OCC(CC)CCCC,C1CCOC1,605.0
1378,CC(C)Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(CC(C)C)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(CC(C)C)cc2)=C2\N=C(C=C2C#Cc2ccc(C(=O)O)cc2)/C=4c2ccc(CC(C)C)cc2)cc1,ClCCl,606.0
4634,CCCCCCOc1ccccc1/C1=C2\C=CC(=N2)/C(c2ccccc2OCCCCCC)=c2/cc/c3n2[Zn]n2c1ccc2/C(c1ccccc1OCCCCCC)=C1\N=C(C=C1C#Cc1ccc(/C=C(\C#N)C(=O)O)cc1)/C=3c1ccccc1OCCCCCC,C1CCOC1,604.0
3672,CCCCCCCCOc1ccccc1/C1=C2\C=CC(=N2)/C(c2ccccc2OCCCCCCCC)=c2/cc/c3n2[Zn]n2c1ccc2/C(c1ccccc1OCCCCCCCC)=C1\N=C(C=C1C#Cc1ccc(/C=C(\C#N)C(=O)O)cc1)/C=3c1ccccc1OCCCCCCCC,C1CCOC1,605.0
11828,Cn1c(/C=C/c2ccc(/C=C/c3nc4ccccc4[nH]3)cc2)[n+](C)c2ccccc21,C1CCOC1,363.0
11828,Cn1c(/C=C/c2ccc(/C=C/c3nc4ccccc4[nH]3)cc2)[n+](C)c2ccccc21,CC#N,377.0
11828,Cn1c(/C=C/c2ccc(/C=C/c3nc4ccccc4[nH]3)cc2)[n+](C)c2ccccc21,CC(C)=O,386.0
11828,Cn1c(/C=C/c2ccc(/C=C/c3nc4ccccc4[nH]3)cc2)[n+](C)c2ccccc21,CN(C)C=O,389.0
11828,Cn1c(/C=C/c2ccc(/C=C/c3nc4ccccc4[nH]3)cc2)[n+](C)c2ccccc21,CO,391.0
11828,Cn1c(/C=C/c2ccc(/C=C/c3nc4ccccc4[nH]3)cc2)[n+](C)c2ccccc21,CS(C)=O,392.0
11828,Cn1c(/C=C/c2ccc(/C=C/c3nc4ccccc4[nH]3)cc2)[n+](C)c2ccccc21,O,376.0
4978,CCCCCCc1nc(-c2nc(CCCCCC)c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)sc1-c1ccc(C=C(C#N)C(=O)O)cc1,ClCCl,433.0
6938,CC[B-]1(CC)c2cccc3c4c5c(cccc5c(c23)-c2cccc(C)[n+]21)[B-](CC)(CC)[n+]1c(C)cccc1-4,ClCCl,538.0
15081,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1,Cc1ccccc1,364.0
5184,CCCCC[Si]1(CCCCC)c2cc(-c3ccc(/C=C(/C#N)C(=O)O)cc3)ccc2-c2ccc(-c3ccc4c(c3)C3CCCC3N4c3ccc(OC)cc3)cc21,CN(C)C=O,390.0
5182,CCCCC[Si]1(CCCCC)c2cc(-c3ccc(/C=C(/C#N)C(=O)O)cc3)ccc2-c2ccc(-c3ccc4c(c3)C3CCCC3N4c3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)cc21,CN(C)C=O,391.0
5183,CCCCC[Si]1(CCCCC)c2cc(-c3ccc(/C=C(/C#N)C(=O)O)cc3)ccc2-c2ccc(-c3ccc4c(c3)C3CCCC3N4c3ccc(C)cc3)cc21,CN(C)C=O,386.0
14468,O=c1c2cc3[nH]c4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c(=O)c3cc2[nH]c2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc12,O,517.0
6588,CCOC(=O)CCCCCn1c2ccc(C)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(C)ccc1n3CCCCCC(=O)OCC,CO,540.0
6589,CCOC(=O)CCCCCn1c2ccc(Cl)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(Cl)ccc1n3CCCCCC(=O)OCC,CO,534.0
6590,CCOC(=O)CCCCCn1c2ccc(F)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(F)ccc1n3CCCCCC(=O)OCC,CO,540.0
13572,O=C(O)CCCCCn1c2ccc(Br)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(Br)ccc1n3CCCCCC(=O)O,CO,533.0
6592,CCOC(=O)CCCCCn1c2ccc(N)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(N)ccc1n3CCCCCC(=O)OCC,ClCCl,574.0
6593,CCOC(=O)CCCCCn1c2ccc(OC)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(OC)ccc1n3CCCCCC(=O)OCC,CCO,555.0
6595,CCOC(=O)CCCCCn1c2ccc([N+](=O)[O-])cc2c(=O)c2cc3c(cc21)c(=O)c1cc([N+](=O)[O-])ccc1n3CCCCCC(=O)OCC,ClCCl,506.0
7155,CCn1c2ccc(S(=O)(=O)O)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(S(=O)(=O)O)ccc1n3CCCCCC(=O)O,O,536.0
6599,CCOC(=O)CCCCCn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1cc(I)ccc1n3CCCCCC(=O)OCC,CO,535.0
6600,CCOC(=O)CCCCCn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3CC,CO,528.0
6601,CCOC(=O)CCCCCn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3CCCCCC(=O)OCC,CO,527.0
5557,CCCC[C@H](CC)COc1ccc(-n2c(-c3ccc(-c4ccc(C(=C(c5ccccc5)c5ccccc5)c5ccccc5)cc4)cc3)cc3c2cc(-c2ccc(-c4ccc(C=C(C#N)C(=O)O)s4)cc2)n3-c2ccc(OC[C@@H](CC)CCCC)cc2)cc1,ClCCl,412.0
467,C1=Cc2nc1c(-c1ccco1)c1ccc(s1)c(-c1ccco1)c1nc(c(-c3ccco3)c3ccc(s3)c2-c2ccco2)C=C1,ClCCl,458.0
2665,CCCCC(CC)COc1ccc(N(c2ccc(OCC(CC)CCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(C=C(C#N)C(=O)O)cc3[Si]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,Clc1ccccc1,506.0
4678,CCCCCC[Si]1(CCCCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc21,CCO,481.0
4413,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(/C=C(\C#N)C(=O)O)cc3[Si]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,C1CCOC1,496.0
4679,CCCCCC[Si]1(CCCCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,CCO,468.0
10234,C[Si]1(C)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,CCO,463.0
14570,OC1(c2ccc(-c3cccs3)s2)CCC1,OCCOCCO,314.0
14570,OC1(c2ccc(-c3cccs3)s2)CCC1,c1ccncc1,316.0
14570,OC1(c2ccc(-c3cccs3)s2)CCC1,C1CCOC1,311.0
14570,OC1(c2ccc(-c3cccs3)s2)CCC1,CC#N,309.0
14570,OC1(c2ccc(-c3cccs3)s2)CCC1,CCO,310.0
1731,CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2N(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc21,Cc1ccccc1,373.3791749
14883,c1cc2ccc1CCCc1cc3c(cc1CCCc1ccc(c4nsnc14)CCC3)CCC2,ClC(Cl)Cl,402.0
14883,c1cc2ccc1CCCc1cc3c(cc1CCCc1ccc(c4nsnc14)CCC3)CCC2,C1CCCCC1,402.0
14883,c1cc2ccc1CCCc1cc3c(cc1CCCc1ccc(c4nsnc14)CCC3)CCC2,CC#N,403.0
4127,CCCCCCN1c2ccccc2Sc2cc(-c3ccc(C4=C5C(=O)N(CC(CC)CCCC)C(c6ccc(-c7ccc(/C=C(\C#N)C(=O)O)cc7)s6)=C5C(=O)N4CC(CC)CCCC)s3)ccc21,ClCCl,604.0
5473,CCCCOc1cc2ccccc2c2c1oc1cc3ccccc3cc12,C1CCOC1,351.0
1803,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5sc(-c6ccc(C=C(C#N)C(=O)O)c(F)c6)cc5s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,C1CCOC1,422.0
1804,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5sc(-c6ccc(C=C(C#N)C(=O)O)cc6)cc5s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,C1CCOC1,415.0
1801,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5sc(-c6cc(F)c(C=C(C#N)C(=O)O)c(F)c6)cc5s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,C1CCOC1,428.0
4165,CCCCCCOc1c(OCCCCCC)c(-c2ccc(/C=C(\C#N)C(=O)O)s2)c2nsnc2c1C#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,478.0
11439,Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)Oc1ccccc1P2(=S)c1ccccc1,Cc1ccccc1,311.2466125
13813,O=C([O-])c1ccccc1-c1c2ccc(=[N+]3CCC3)cc-2oc2cc(N3CCC3)ccc12,O,549.0
12843,N#CC(C#N)=Cc1ccc(-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc(C=C(C#N)C#N)s4)cc3)cc2)s1,CC#N,491.0
14719,Oc1nc(-c2ccc(-c3ccc(/C=C/c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)s2)nc(-c2ccc(-c3ccc(/C=C/c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)s2)n1,CN(C)C=O,493.0
15277,c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)cc1,C1COCCN1,383.0
15277,c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)cc1,C1COCCO1,381.0
15277,c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)cc1,CC(=O)O,384.0
15277,c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)cc1,CCCCO,373.0
15277,c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)cc1,CCO,373.0
14614,Oc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1,C1CCOC1,386.0
14614,Oc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1,CC#N,383.0
14614,Oc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1,CCCCCC,385.0
14614,Oc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1,CO,383.0
14614,Oc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1,CS(C)=O,388.0
14614,Oc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1,Cc1ccccc1,390.0
14614,Oc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1,ClCCl,389.0
12300,N#C/C(=C/c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)cc1)C(=O)O,CCO,397.0
4695,CCCCCCc1c(C#Cc2ccc(N(C)C)cc2)sc2cc(/C=C(\C#N)C(=O)O)sc12,CN(C)C=O,419.0
11834,Cn1c(=O)c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)c(O)c2ccccc21,C1CCOC1,454.0
11834,Cn1c(=O)c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)c(O)c2ccccc21,CC(C)=O,453.0
11834,Cn1c(=O)c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)c(O)c2ccccc21,CCOC(C)=O,452.0
11834,Cn1c(=O)c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)c(O)c2ccccc21,CO,452.0
11834,Cn1c(=O)c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)c(O)c2ccccc21,CS(C)=O,460.0
11834,Cn1c(=O)c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)c(O)c2ccccc21,Cc1ccccc1,458.0
11834,Cn1c(=O)c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)c(O)c2ccccc21,ClCCl,457.0
11834,Cn1c(=O)c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)c(O)c2ccccc21,O,447.0
11252,Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3cc4sc(C=C(C#N)C(=O)O)cc4s3)cc2)cc1,CN(C)C=O,443.0
7129,CCn1c2cc(-c3cccs3)ccc2c2ccc(-c3cccs3)cc21,ClCCl,370.0
13487,O=C(COc1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCC(=O)ON1C(=O)CCC1=O,CO,590.0
15078,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n7c8ccccc8c(c54)c67)cc3)n2)cc1,Cc1ccccc1,383.0
886,CC(C)(C)[Si](C)(C)OCc1cc(C=C(C#N)C(=O)O)sc1C=C1C=C(c2ccccc2)OC(c2ccccc2)=C1,ClCCl,570.0
12764,N#CC(=Cc1ccc(C=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)s1)C(=O)O,ClCCl,556.0
1092,CC(C)(C)c1ccc(C2=CC(=Cc3ccc(/C=C(\C#N)C(=O)O)s3)C=C(c3ccc(C(C)(C)C)cc3)O2)cc1,ClCCl,573.0
1566,CC1(C)C(/C=C/C2=C(Oc3ccc(CCN=C=S)cc3)/C(=C/C=C3/N(CCCS(=O)(=O)[O-])c4ccccc4C3(C)C)CCC2)=[N+](CCCS(=O)(=O)[O-])c2ccccc21,CO,765.0
1567,CC1(C)C(/C=C/C2=C(Oc3ccc(CCN=C=S)cc3Br)/C(=C/C=C3/N(CCCS(=O)(=O)[O-])c4ccccc4C3(C)C)CCC2)=[N+](CCCS(=O)(=O)[O-])c2ccccc21,CO,768.0
1568,CC1(C)C(/C=C/C2=C(Oc3ccc(CCN=C=S)cc3Cl)/C(=C/C=C3/N(CCCS(=O)(=O)[O-])c4ccccc4C3(C)C)CCC2)=[N+](CCCS(=O)(=O)[O-])c2ccccc21,CO,768.0
1569,CC1(C)C(/C=C/C2=C(Oc3ccc(CCN=C=S)cc3F)/C(=C/C=C3/N(CCCS(=O)(=O)[O-])c4ccccc4C3(C)C)CCC2)=[N+](CCCS(=O)(=O)[O-])c2ccccc21,CO,768.0
1570,CC1(C)C(/C=C/C2=C(Oc3ccc(CCN=C=S)cc3I)/C(=C/C=C3/N(CCCS(=O)(=O)[O-])c4ccccc4C3(C)C)CCC2)=[N+](CCCS(=O)(=O)[O-])c2ccccc21,CO,766.0
1571,CC1(C)C(/C=C/C2=C(Oc3ccc(S(=O)(=O)[O-])cc3)/C(=C/C=C3/N(CCCS(=O)(=O)[O-])c4ccccc4C3(C)CCCC(=O)O)CCC2)=[N+](CCCS(=O)(=O)[O-])c2ccccc21,CCO,777.0
7579,CN(C)c1ccc(C2=Nc3sc4cc(-c5cccs5)ccc4[n+]3[B-](F)(F)O2)cc1,C1CCOC1,436.0
7579,CN(C)c1ccc(C2=Nc3sc4cc(-c5cccs5)ccc4[n+]3[B-](F)(F)O2)cc1,CC#N,435.0
7579,CN(C)c1ccc(C2=Nc3sc4cc(-c5cccs5)ccc4[n+]3[B-](F)(F)O2)cc1,CC(C)=O,435.0
7579,CN(C)c1ccc(C2=Nc3sc4cc(-c5cccs5)ccc4[n+]3[B-](F)(F)O2)cc1,Cc1ccccc1,436.0
7579,CN(C)c1ccc(C2=Nc3sc4cc(-c5cccs5)ccc4[n+]3[B-](F)(F)O2)cc1,ClCCl,439.0
5395,CCCCN1c2ccccc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)o3)ccc21,ClCCl,442.0
2728,CCCCC(CC)Cn1c2ccc(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)cc4)s3)cc2c2ccc3ccccc3c21,C1CCOC1,427.0
4830,CCCCCCc1cc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5ccccc5n6CC)cc4CCCCCC)cc3CCCCCC)cc2CCCCCC)sc1/C=C(\C#N)C(=O)O,Cc1ccccc1,489.0
4831,CCCCCCc1cc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5ccccc5n6CC)cc4CCCCCC)cc3CCCCCC)cc2CCCCCC)sc1C=C(C#N)C(=O)NCC(=O)O,Cc1ccccc1,485.0
4832,CCCCCCc1cc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5ccccc5n6CC)cc4CCCCCC)cc3CCCCCC)cc2CCCCCC)sc1C=C(C#N)C(=O)NCCC(=O)O,Cc1ccccc1,480.0
4833,CCCCCCc1cc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5ccccc5n6CC)cc4CCCCCC)cc3CCCCCC)cc2CCCCCC)sc1C=C(C#N)C(=O)O,Cc1ccccc1,495.0
4834,CCCCCCc1cc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5ccccc5n6CC)cc4CCCCCC)cc3CCCCCC)cc2CCCCCC)sc1C=C(C#N)P(=O)(O)O,CC#N,450.0
4835,CCCCCCc1cc(-c2sc(-c3sc(-c4sc(/C=C(/C#N)C(=O)O)cc4CCCCCC)cc3CCCCCC)cc2CCCCCC)sc1-c1ccc2c(c1)c1ccccc1n2CC,ClC(Cl)Cl,473.0
15126,c1ccc(-c2nn(-c3ccccn3)c3nc4ccccc4cc23)cc1,C1CCCCC1,385.0
15126,c1ccc(-c2nn(-c3ccccn3)c3nc4ccccc4cc23)cc1,C1CCOC1,384.0
15126,c1ccc(-c2nn(-c3ccccn3)c3nc4ccccc4cc23)cc1,CC#N,383.0
15126,c1ccc(-c2nn(-c3ccccn3)c3nc4ccccc4cc23)cc1,CC(C)=O,383.0
15126,c1ccc(-c2nn(-c3ccccn3)c3nc4ccccc4cc23)cc1,CCCCOCCCC,385.0
15126,c1ccc(-c2nn(-c3ccccn3)c3nc4ccccc4cc23)cc1,CN(C)C=O,383.0
9438,COc1ccc(C2=C3C=c4c(oc5cc6c(cc45)[C@H]4CC[C@]5(C)C(=O)CC[C@H]5[C@@H]4CC6)=[N+]3[B-](F)(F)n3c2cc2c4cc5c(cc4oc23)CC[C@@H]2[C@@H]5CC[C@]3(C)C(=O)CC[C@@H]23)cc1,CCOC(C)=O,596.5
9438,COc1ccc(C2=C3C=c4c(oc5cc6c(cc45)[C@H]4CC[C@]5(C)C(=O)CC[C@H]5[C@@H]4CC6)=[N+]3[B-](F)(F)n3c2cc2c4cc5c(cc4oc23)CC[C@@H]2[C@@H]5CC[C@]3(C)C(=O)CC[C@@H]23)cc1,CCOCC,596.5
9438,COc1ccc(C2=C3C=c4c(oc5cc6c(cc45)[C@H]4CC[C@]5(C)C(=O)CC[C@H]5[C@@H]4CC6)=[N+]3[B-](F)(F)n3c2cc2c4cc5c(cc4oc23)CC[C@@H]2[C@@H]5CC[C@]3(C)C(=O)CC[C@@H]23)cc1,CO,595.5
13472,O=C(/C=C(\O)c1ccc(N2c3ccccc3Oc3ccccc32)cc1)c1ccc(N2c3ccccc3Oc3ccccc32)cc1,Cc1ccccc1,441.0
1468,CC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc32)c(C(C)C)c1,Cc1ccccc1,436.0
4518,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(C#Cc4ccc(C(=O)O)cc4)c4nsnc34)cc2)cc1,ClCCl,489.0
11717,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,431.0
11716,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,427.0
1864,CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)c2ccccc21,Cc1ccccc1,366.6011788
11313,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)c5nc(-c6ccc(C)s6)c(-c6ccc(C)s6)nc45)cc3C3CCCC32)cc1,ClCCl,530.0
11296,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nc(-c6ccc(C)s6)c(-c6ccc(C)s6)nc45)cc3C3CCCC32)cc1,ClCCl,418.0
11297,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nc(-c6ccc(C)s6)c(-c6ccc(C)s6)nc45)cc3[C@H]3CCC[C@H]32)cc1,ClCCl,530.0
10847,Cc1cc2c3ccccc3[nH]c2c2[nH]c3ccccc3c12,ClCCl,323.0
10848,Cc1cc2c3ccccc3n(C)c2c2c1c1ccccc1n2C,ClCCl,329.0
402,C1=C(c2ccccc2)S[C@]23C1=C(c1ccccc1)[C@H](c1ccccc12)c1ccccc13,ClCCl,378.0
7557,CN(C)c1ccc(C2=C3C=C(c4ccc(C#N)cc4)S[C@]34c3ccccc3[C@H]2c2ccccc24)cc1,ClCCl,451.0
7558,CN(C)c1ccc(C2=C3C=C(c4ccc(C=C(C#N)C#N)cc4)S[C@]34c3ccccc3[C@H]2c2ccccc24)cc1,ClCCl,558.0
7559,CN(C)c1ccc(C2=C3C=C(c4ccc(C=O)cc4)S[C@]34c3ccccc3[C@H]2c2ccccc24)cc1,ClCCl,464.0
7562,CN(C)c1ccc(C2=CC3=C(c4ccc(C#N)cc4)[C@H]4c5ccccc5[C@]3(S2)c2ccccc24)cc1,ClCCl,436.0
7563,CN(C)c1ccc(C2=CC3=C(c4ccc(C=C(C#N)C#N)cc4)[C@H]4c5ccccc5[C@]3(S2)c2ccccc24)cc1,ClCCl,543.0
7564,CN(C)c1ccc(C2=CC3=C(c4ccc(C=O)cc4)[C@H]4c5ccccc5[C@]3(S2)c2ccccc24)cc1,ClCCl,449.0
7565,CN(C)c1ccc(C2=CC3=C(c4ccc([N+](=O)[O-])cc4)[C@H]4c5ccccc5[C@]3(S2)c2ccccc24)cc1,ClCCl,484.0
246,C(=C/c1ccc2ccccc2c1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CCCCCC,371.0
246,C(=C/c1ccc2ccccc2c1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CC#N,371.0
14106,O=Cc1c2cc(OCc3ccccc3)ccc2n2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c12,CC#N,402.0
14106,O=Cc1c2cc(OCc3ccccc3)ccc2n2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c12,CS(C)=O,408.0
7194,CCn1c2ccccc2c2cc(/C=C/C3=C(Sc4ccccc4)C(=C(C#N)C#N)OC3(C)C)ccc21,C1CCOC1,465.0
7194,CCn1c2ccccc2c2cc(/C=C/C3=C(Sc4ccccc4)C(=C(C#N)C#N)OC3(C)C)ccc21,CC(C)=O,458.0
7194,CCn1c2ccccc2c2cc(/C=C/C3=C(Sc4ccccc4)C(=C(C#N)C#N)OC3(C)C)ccc21,CS(C)=O,472.0
7194,CCn1c2ccccc2c2cc(/C=C/C3=C(Sc4ccccc4)C(=C(C#N)C#N)OC3(C)C)ccc21,Cc1ccccc1,463.0
7194,CCn1c2ccccc2c2cc(/C=C/C3=C(Sc4ccccc4)C(=C(C#N)C#N)OC3(C)C)ccc21,ClC(Cl)Cl,468.0
7194,CCn1c2ccccc2c2cc(/C=C/C3=C(Sc4ccccc4)C(=C(C#N)C#N)OC3(C)C)ccc21,ClCCl,464.0
15222,c1ccc(C2c3ccc4ccc5ccccc5c4c3-c3c2ccc2ccc4ccccc4c32)cc1,ClCCl,401.0
9442,COc1ccc(C2=CC(c3ccc4cc(N(C)C)ccc4c3)=[O+][B-](F)(F)O2)cc1,C1CCOC1,486.0
9442,COc1ccc(C2=CC(c3ccc4cc(N(C)C)ccc4c3)=[O+][B-](F)(F)O2)cc1,CC#N,496.0
9442,COc1ccc(C2=CC(c3ccc4cc(N(C)C)ccc4c3)=[O+][B-](F)(F)O2)cc1,CC(C)=O,492.0
9442,COc1ccc(C2=CC(c3ccc4cc(N(C)C)ccc4c3)=[O+][B-](F)(F)O2)cc1,CS(C)=O,512.0
9442,COc1ccc(C2=CC(c3ccc4cc(N(C)C)ccc4c3)=[O+][B-](F)(F)O2)cc1,Cc1ccccc1,484.0
9442,COc1ccc(C2=CC(c3ccc4cc(N(C)C)ccc4c3)=[O+][B-](F)(F)O2)cc1,ClC(Cl)Cl,494.0
9442,COc1ccc(C2=CC(c3ccc4cc(N(C)C)ccc4c3)=[O+][B-](F)(F)O2)cc1,ClCCl,499.0
9443,COc1ccc(C2=CC(c3ccc4ccccc4c3)=[O+][B-](C(C)=O)(C(C)=O)O2)cc1,CC#N,411.0
9443,COc1ccc(C2=CC(c3ccc4ccccc4c3)=[O+][B-](C(C)=O)(C(C)=O)O2)cc1,ClC(Cl)(Cl)Cl,413.0
651,CC(=O)[B-]1(C(C)=O)OC(c2ccccc2)=CC(c2ccc3ccccc3c2)=[O+]1,CC#N,400.0
651,CC(=O)[B-]1(C(C)=O)OC(c2ccccc2)=CC(c2ccc3ccccc3c2)=[O+]1,ClC(Cl)(Cl)Cl,400.0
7728,CN(C)c1ccc2cc(C3=[O+][B-](F)(F)OC(c4ccc(C#N)cc4)=C3)ccc2c1,C1CCOC1,525.0
7728,CN(C)c1ccc2cc(C3=[O+][B-](F)(F)OC(c4ccc(C#N)cc4)=C3)ccc2c1,CC#N,539.0
7728,CN(C)c1ccc2cc(C3=[O+][B-](F)(F)OC(c4ccc(C#N)cc4)=C3)ccc2c1,CC(C)=O,533.0
7728,CN(C)c1ccc2cc(C3=[O+][B-](F)(F)OC(c4ccc(C#N)cc4)=C3)ccc2c1,CS(C)=O,559.0
7728,CN(C)c1ccc2cc(C3=[O+][B-](F)(F)OC(c4ccc(C#N)cc4)=C3)ccc2c1,Cc1ccccc1,519.0
7728,CN(C)c1ccc2cc(C3=[O+][B-](F)(F)OC(c4ccc(C#N)cc4)=C3)ccc2c1,ClC(Cl)Cl,532.0
7728,CN(C)c1ccc2cc(C3=[O+][B-](F)(F)OC(c4ccc(C#N)cc4)=C3)ccc2c1,ClCCl,539.0
7729,CN(C)c1ccc2cc(C3=[O+][B-](F)(F)OC(c4ccccc4)=C3)ccc2c1,C1CCOC1,492.0
7729,CN(C)c1ccc2cc(C3=[O+][B-](F)(F)OC(c4ccccc4)=C3)ccc2c1,CC#N,503.0
7729,CN(C)c1ccc2cc(C3=[O+][B-](F)(F)OC(c4ccccc4)=C3)ccc2c1,CC(C)=O,498.0
7729,CN(C)c1ccc2cc(C3=[O+][B-](F)(F)OC(c4ccccc4)=C3)ccc2c1,CS(C)=O,520.0
7729,CN(C)c1ccc2cc(C3=[O+][B-](F)(F)OC(c4ccccc4)=C3)ccc2c1,Cc1ccccc1,489.0
7729,CN(C)c1ccc2cc(C3=[O+][B-](F)(F)OC(c4ccccc4)=C3)ccc2c1,ClC(Cl)Cl,500.0
7729,CN(C)c1ccc2cc(C3=[O+][B-](F)(F)OC(c4ccccc4)=C3)ccc2c1,ClCCl,504.0
6996,CC[N+]1=c2cc3c(cc2CCC1)=Cc1ccc(N(C)C)cc1C3(C)C,CCO,616.0
5456,CCCCOc1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(OCCCC)c3c4c(OCCCC)c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c(OCCCC)c(c1c23)c54,ClCCl,422.0
7117,CCn1c(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)c(-c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1-c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1,CCOC(C)=O,296.0
11205,Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(-c3c4cc(Cl)c(=O)cc-4oc4cc(O)c(Cl)cc34)ccc2N(CC(=O)O)CC(=O)O)c1,O,506.0
11206,Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)ccc2N(CC(=O)O)CC(=O)O)c1,O,494.0
438,C1=CN2B(C=Cc3ccccc32)C(c2ccccc2)=C1,C1CCCCC1,316.0
13618,O=C(O)CN1C(=O)/C(=C/c2ccc3c(c2)CC(O)CN3c2ccccc2)SC1=S,C1CCOC1,473.0
5835,CCCOC1Cc2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)ccc2N(c2ccccc2)C1,C1CCOC1,472.0
5181,CCCCC[C@H](CC)N1c2ccccc2Oc2cc(-c3ccc(/C=C(/C#N)C(=O)O)s3)ccc21,C1CCOC1,465.0
4923,CCCCCCc1ccc(-c2ccc3c(c2)Oc2cc(/C=C(\C#N)C(=O)O)ccc2N3CCCCCC)s1,C1CCOC1,465.0
4924,CCCCCCc1ccc(-c2ccc3c(c2)Oc2cc(C=C(C#N)C(=O)O)ccc2N3CCCCCC)s1,C1CCOC1,465.0
2128,CC1=[N+]2C(=C(C3=CC4OCCOCCOCCOCCOC4C=C3)c3c4ccccc4c(/C=C/c4ccc(N(C)C)cc4)n3[B-]2(F)F)c2ccccc21,CC#N,693.0
13361,Nc1ccc2c(-c3ccc(OC4CCCCO4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,500.0
12673,N#CC(=Cc1ccc(-c2ccc(-c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c3OCCO4)s2)s1)C(=O)O,C1CCOC1,510.0
1156,CC(C)(C)c1ccc(Oc2cc3c4c(ccc5c6c(Oc7ccc(C(C)(C)C)cc7)cc7c8c(ccc(c2c45)c86)C(=O)N(c2ccc4c(c2)C2(c5ccccc5-4)c4cc(N(c5ccccc5)c5ccccc5)ccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc42)C7=O)C(=O)OC3=O)cc1,ClCCl,546.0
13863,O=C(c1ccncc1)c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1,C1CCOC1,342.6395939
13863,O=C(c1ccncc1)c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1,CCCCCC,342.6395939
13863,O=C(c1ccncc1)c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1,Cc1ccccc1,362.0
13863,O=C(c1ccncc1)c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1,ClCCl,342.6395939
10931,Cc1ccc(-c2c3nc(c(C#Cc4ccc(C(=O)O)cc4)c4ccc(s4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,C1CCOC1,444.0
10932,Cc1ccc(-c2c3nc(c(C#Cc4ccc(C=C(C#N)C(=O)O)cc4)c4ccc(s4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,C1CCOC1,449.0
7646,CN(C)c1ccc2c(-c3ccc(CN4CCCC4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
1958,CC1=C(c2ccccc2)Oc2ccc3c4c(ccc1c24)C(C)=C(c1ccccc1)O3,ClCCl,466.0
5983,CCN(CC)c1ccc(/C=C2\CC/C(=C\c3ccc(N(c4ccccc4)c4ccccc4)cc3)C2=C(C#N)C#N)cc1,CN(C)C=O,579.0
7393,CN(C)c1ccc(-n2nc(Cl)ccc2=O)cc1,CS(C)=O,304.0
9609,COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc4C=C3)c3ccccc3-c3ccccc32)cc1,ClCCl,414.0
447,C1=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2C2(c3cc(N(c4ccccc4)c4ccccc4)ccc31)c1ccccc1-c1ccccc12,ClCCl,406.0
806,CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c1ccc(C2=C3C=CC(c4ccc([N+](=O)[O-])cc4)=[N+]3[B-](F)(F)n3cccc32)cc1,C1CCOC1,537.0
806,CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c1ccc(C2=C3C=CC(c4ccc([N+](=O)[O-])cc4)=[N+]3[B-](F)(F)n3cccc32)cc1,CC#N,530.5
807,CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c1ccc(C2=C3C=CC(c4ccc([N+](=O)[O-])cc4)=[N+]3[B-](F)(F)n3cccc32)cc1F,C1CCOC1,538.5
807,CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c1ccc(C2=C3C=CC(c4ccc([N+](=O)[O-])cc4)=[N+]3[B-](F)(F)n3cccc32)cc1F,CC#N,533.0
4649,CCCCCCSC1=C(SCCCCCC)SC(=c2c3ccccc3c(=C3SC(SCCCCCC)=C(SCCCCCC)S3)c3cc(-c4ccc(-c5ccc(/C=C6\SC(=S)N(CC(=O)O)C6=O)s5)c5nsnc45)ccc23)S1,CN(C)C=O,478.0
4996,CCCCCCc1sc(-c2ccc3c(c2)Sc2cc(-c4ccc(C=C(C#N)C(=O)O)s4)ccc2N3CCCCCC)c2c1OCCO2,ClCCl,490.0
4039,CCCCCCN1c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2Sc2cc(-c3scc4c3OCCO4)ccc21,ClCCl,480.0
3352,CCCCCCCCN(CCCCCCCC)c1ccc(C2=C([O-])/C(=C/c3[se]c4ccccc4[n+]3CC(=O)O)C2=O)cc1,C1CCOC1,631.0
3352,CCCCCCCCN(CCCCCCCC)c1ccc(C2=C([O-])/C(=C/c3[se]c4ccccc4[n+]3CC(=O)O)C2=O)cc1,CN(C)C=O,611.0
3352,CCCCCCCCN(CCCCCCCC)c1ccc(C2=C([O-])/C(=C/c3[se]c4ccccc4[n+]3CC(=O)O)C2=O)cc1,CO,610.0
3352,CCCCCCCCN(CCCCCCCC)c1ccc(C2=C([O-])/C(=C/c3[se]c4ccccc4[n+]3CC(=O)O)C2=O)cc1,CS(C)=O,619.0
3352,CCCCCCCCN(CCCCCCCC)c1ccc(C2=C([O-])/C(=C/c3[se]c4ccccc4[n+]3CC(=O)O)C2=O)cc1,Cc1ccccc1,624.0
3352,CCCCCCCCN(CCCCCCCC)c1ccc(C2=C([O-])/C(=C/c3[se]c4ccccc4[n+]3CC(=O)O)C2=O)cc1,c1ccccc1,624.0
1805,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5sc(-c6sc(/C=C(\C#N)C(=O)O)c7c6OCCO7)cc5s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,ClC(Cl)Cl,469.0
12082,F[B-]1(F)n2c(c(-c3ccccc3)c3ccccc32)C(c2ccccc2)=C2C(c3ccccc3)=c3ccccc3=[N+]21,ClCCl,568.0
2322,CCC1(CC)c2cc(/C=C(\C#N)C(=O)O)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,424.0
12582,N#C/C(=C\c1ccc2c(c1)C(CCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(CCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1cc(N(c3ccc(OCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc3)c3ccc(OCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc3)ccc1-2)C(=O)O,CCO,434.0
2388,CCC1(CC)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(/C=C(\C#N)C(=O)O)cc3)cc21,ClCCl,440.0
12583,N#C/C(=C\c1ccc2c(c1)C(CCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(CCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2)C(=O)O,CCO,425.0
2782,CCCCC1(CCCC)c2cc(C(=O)O)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CCO,369.0
2769,CCCCC1(CCCC)c2cc(/C=C(\C#N)C(=O)O)ccc2-c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc21,CCO,451.0
2772,CCCCC1(CCCC)c2cc(/C=C(\C#N)C(=O)O)ccc2-c2ccc(N(c3ccc(OCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc3)c3ccc(OCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc3)cc21,CCO,432.0
2773,CCCCC1(CCCC)c2cc(/C=C(\C#N)C(=O)O)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CCO,420.0
15459,c1ccc2c(c1)cc1ccc3cc4c5ccccc5cc5ccc6cc2c1c3c6c54,Cc1ccccc1,461.0
5400,CCCCN1c2ccccc2Sc2cc(-c3ccc4c(c3)C3(OCCO3)C3(OCCO3)c3cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)ccc3-4)ccc21,ClCCl,460.0
5408,CCCCN1c2ccccc2Sc2cc(/C=C/C3=Nc4ccc5ccccc5c4C3(C)C)ccc21,C1CCCCC1,414.0
5408,CCCCN1c2ccccc2Sc2cc(/C=C/C3=Nc4ccc5ccccc5c4C3(C)C)ccc21,C1COCCO1,417.0
5408,CCCCN1c2ccccc2Sc2cc(/C=C/C3=Nc4ccc5ccccc5c4C3(C)C)ccc21,CCOC(C)=O,416.0
5408,CCCCN1c2ccccc2Sc2cc(/C=C/C3=Nc4ccc5ccccc5c4C3(C)C)ccc21,CCOCC,414.0
5408,CCCCN1c2ccccc2Sc2cc(/C=C/C3=Nc4ccc5ccccc5c4C3(C)C)ccc21,Cc1ccccc1,423.0
5777,CCCCn1nc2c(-c3ccc(/C=C(\C#N)C(=O)O)cc3)ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2n1,C1CCOC1,405.0
4238,CCCCCCOc1ccc(-c2ccc(-c3c(CC(CC)CCCC)c4cc(-c5ccc(OCCCCCC)cc5OCCCCCC)ccn4c3-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)c(OCCCCCC)c1,ClCCl,607.5
3667,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(c2ccc(N(c3ccc(OCCCCCC)cc3)c3ccc(OCCCCCC)cc3)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1cnc(-c2ccc(C(=O)O)cc2)c2nn(CCCCCC)nc12)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,450.0
7693,CN(C)c1ccc2c(c1)CCc1cc(C=O)ccc1-2,CO,387.0
7693,CN(C)c1ccc2c(c1)CCc1cc(C=O)ccc1-2,Cc1ccccc1,387.0
7693,CN(C)c1ccc2c(c1)CCc1cc(C=O)ccc1-2,ClCCl,387.0
7693,CN(C)c1ccc2c(c1)CCc1cc(C=O)ccc1-2,C1CCOC1,387.0
7693,CN(C)c1ccc2c(c1)CCc1cc(C=O)ccc1-2,CC#N,387.0
7693,CN(C)c1ccc2c(c1)CCc1cc(C=O)ccc1-2,CCCCCC,387.0
7693,CN(C)c1ccc2c(c1)CCc1cc(C=O)ccc1-2,CN(C)C=O,387.0
14420,O=c1[nH]c2[n+](c3ccccc13)[B-](F)(F)Oc1ccccc1-2,CC#N,343.0
14420,O=c1[nH]c2[n+](c3ccccc13)[B-](F)(F)Oc1ccccc1-2,Cc1ccccc1,354.0
965,CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[B-](F)(F)[n+]1c-2[nH]c(=O)c2ccccc21,CC#N,357.0
965,CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[B-](F)(F)[n+]1c-2[nH]c(=O)c2ccccc21,Cc1ccccc1,366.0
15398,c1ccc2c(c1)Cc1c-2sc2c1Cc1ccccc1-2,C1CCOC1,354.0
3548,CCCCCCCCOc1ccc(C#Cc2ccc3oc4ccccc4c3c2)c(OCCCCCCCC)c1,ClCCl,314.0
10145,C[P+](c1ccccc1)(c1ccccc1)c1c2ccccc2c(N(c2ccccc2)c2ccccc2)c2ccccc12,CC#N,496.0
10145,C[P+](c1ccccc1)(c1ccccc1)c1c2ccccc2c(N(c2ccccc2)c2ccccc2)c2ccccc12,CO,499.0
10145,C[P+](c1ccccc1)(c1ccccc1)c1c2ccccc2c(N(c2ccccc2)c2ccccc2)c2ccccc12,ClCCl,519.0
10145,C[P+](c1ccccc1)(c1ccccc1)c1c2ccccc2c(N(c2ccccc2)c2ccccc2)c2ccccc12,O,489.0
8028,CN1c2cc3c(cc2-c2ccc4ccccc4c2C1(C)C)C(c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-])=c1cc2c(cc1O3)=[N+](C)C(C)(C)c1c-2ccc2ccccc12,CO,627.0
14933,c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)nc1,ClCCl,375.0
4584,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(C3C4C(=O)N(CCCCCC)C(c5ccc(-c6ccc(C=C(C#N)C(=O)O)s6)cc5)=C4C(=O)N3CCCCCC)cc2)cc1,ClCCl,556.0
2588,CCCCC(CC)CN1C(=O)C2C(=C1c1ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc1)C(=O)N(CC(CC)CCCC)C2c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1,ClCCl,535.0
4583,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(C3C4C(=O)N(CC(CC)CCCC)C(c5ccc(-c6ccc(C=C(C#N)C(=O)O)s6)cc5)=C4C(=O)N3CC(CC)CCCC)cc2)cc1,ClCCl,542.0
1,B1C=Cc2cc3c(cc2N1)C=CBN3,C1CCCCC1,357.0
12396,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc6c(c5)OCCO6)c5ccc6c(c5)OCCO6)cc4)s3)s2)s1)C(=O)O,ClCCl,526.0
248,C(=C/c1ccc2ccccc2n1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,399.0
248,C(=C/c1ccc2ccccc2n1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,399.0
3268,CCCCCCCCCCCCn1c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)cc2c2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc21,ClCCl,443.0
10551,Cc1cc(/C=C/c2ccc3c(c2)-c2ccccc2C3)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,571.0
11121,Cc1ccc(C2(c3ccc(C)cc3)c3cccc4c3N3c5c2cccc5C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(C=Cc5ccc(C=C(C#N)C(=O)O)s5)cc(c23)C4(c2ccc(C)cc2)c2ccc(C)cc2)cc1,ClCCl,507.0
15123,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4cc23)cc1,C1CCCCC1,448.0286738
15123,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4cc23)cc1,C1CCOC1,447.0272687
15123,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4cc23)cc1,CC#N,445.0378282
15123,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4cc23)cc1,CC(C)=O,446.0303301
15123,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4cc23)cc1,CCCCCl,448.0286738
15123,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4cc23)cc1,CCCCOCCCC,447.0272687
15123,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4cc23)cc1,CN(C)C=O,448.0286738
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCOC(C)=O,480.0
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCOCC,475.0
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,CN(C)C=O,507.0
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,CO,523.0
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,CS(C)=O,512.0
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,Cc1ccccc1,495.0
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,ClC(Cl)(Cl)Cl,465.0
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,ClCCl,503.0
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,OCC(F)(F)F,534.0
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,S=C=S,480.0
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,c1ccccc1,475.0
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,c1ccncc1,507.0
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,C1CCCCC1,480.0
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,CC#N,490.0
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,CC(C)=O,493.0
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,CC(C)O,515.0
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCCCCC,478.0
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCCCO,524.0
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCCO,515.0
7413,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCO,510.0
5982,CCN(CC)c1ccc(/C=C2\CC/C(=C\c3ccc(N(c4ccccc4)c4ccc(/C=C5\CC/C(=C\c6ccc(N(CC)CC)cc6)C5=C(C#N)C#N)cc4)cc3)C2=C(C#N)C#N)cc1,CN(C)C=O,592.0
10850,Cc1cc2c3ccccc3oc2c2c1c1ccccc1n2-c1ccc(C#N)cc1,ClCCl,354.0
9186,COc1ccc(-c2sc3c(c2Br)=[N+]2C(=C(C(F)(F)F)c4c(Br)c5sc(-c6ccc(OC)cc6)c(Br)c5n4[B-]2(F)F)C=3Br)cc1,C1CCOC1,764.0
9186,COc1ccc(-c2sc3c(c2Br)=[N+]2C(=C(C(F)(F)F)c4c(Br)c5sc(-c6ccc(OC)cc6)c(Br)c5n4[B-]2(F)F)C=3Br)cc1,ClC(Cl)Cl,766.0
9187,COc1ccc(-c2sc3c(c2Br)=[N+]2C(=C(C(F)(F)F)c4cc5sc(-c6ccc(OC)cc6)c(Br)c5n4[B-]2(F)F)C=3)cc1,C1CCOC1,717.0
9007,COc1ccc(-c2cc3c(s2)=CC2=C(C(F)(F)F)c4cc5sc(-c6ccc(OC)cc6)cc5n4[B-](F)(F)[N+]=32)cc1,C1CCOC1,730.0
9007,COc1ccc(-c2cc3c(s2)=CC2=C(C(F)(F)F)c4cc5sc(-c6ccc(OC)cc6)cc5n4[B-](F)(F)[N+]=32)cc1,ClC(Cl)Cl,731.0
9187,COc1ccc(-c2sc3c(c2Br)=[N+]2C(=C(C(F)(F)F)c4cc5sc(-c6ccc(OC)cc6)c(Br)c5n4[B-]2(F)F)C=3)cc1,ClC(Cl)Cl,720.0
4068,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)ccc21,ClCCl,474.0
4103,CCCCCCN1c2ccc(C=C(C#N)C(=O)O)cc2Sc2cc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)ccc21,ClCCl,474.0
2847,CCCCCC1c2c(C)c(/C=C(/C#N)C(=O)O)c(C)n2[B-](F)(F)[N+]2=C(C)C(c3ccc4c(c3)Sc3ccccc3N4CCC)=C(C)C12,ClCCl,530.0
6827,CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2c1c(=O)oc1cc(N(CC)CC)ccc12,CCO,595.0
6827,CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2c1c(=O)oc1cc(N(CC)CC)ccc12,ClC(Cl)Cl,601.0
6827,CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2c1c(=O)oc1cc(N(CC)CC)ccc12,O,596.0
6155,CCN(CC)c1ccc2c(c1)oc(=O)c1c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc12,CCO,591.0
6155,CCN(CC)c1ccc2c(c1)oc(=O)c1c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc12,ClC(Cl)Cl,602.0
6155,CCN(CC)c1ccc2c(c1)oc(=O)c1c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc12,O,594.0
6951,CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3c(=O)oc4ccccc4c3oc-2c1,CCO,598.0
12094,F[B-]1(F)n2c(cc(-c3ccccc3)c2-c2ccccc2)C(c2ccccc2)=C2C=C(c3ccccc3)C(c3ccccc3)=[N+]21,C1CCOC1,586.0
12094,F[B-]1(F)n2c(cc(-c3ccccc3)c2-c2ccccc2)C(c2ccccc2)=C2C=C(c3ccccc3)C(c3ccccc3)=[N+]21,CC#N,576.0
12094,F[B-]1(F)n2c(cc(-c3ccccc3)c2-c2ccccc2)C(c2ccccc2)=C2C=C(c3ccccc3)C(c3ccccc3)=[N+]21,Cc1ccccc1,592.0
12094,F[B-]1(F)n2c(cc(-c3ccccc3)c2-c2ccccc2)C(c2ccccc2)=C2C=C(c3ccccc3)C(c3ccccc3)=[N+]21,ClCCl,584.0
8725,COc1cc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cc(OC)c(OC)c(OC)c5)c(-c5cc(OC)c(OC)c(OC)c5)n4[B-](F)(F)[N+]3=C2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,C1CCCCC1,626.0
8725,COc1cc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cc(OC)c(OC)c(OC)c5)c(-c5cc(OC)c(OC)c(OC)c5)n4[B-](F)(F)[N+]3=C2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,C1CCOC1,621.0
8725,COc1cc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cc(OC)c(OC)c(OC)c5)c(-c5cc(OC)c(OC)c(OC)c5)n4[B-](F)(F)[N+]3=C2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,CC#N,608.0
8725,COc1cc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cc(OC)c(OC)c(OC)c5)c(-c5cc(OC)c(OC)c(OC)c5)n4[B-](F)(F)[N+]3=C2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,Cc1ccccc1,629.0
8725,COc1cc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cc(OC)c(OC)c(OC)c5)c(-c5cc(OC)c(OC)c(OC)c5)n4[B-](F)(F)[N+]3=C2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,ClCCl,617.0
9446,COc1ccc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)n4[B-](F)(F)[N+]3=C2c2ccc(OC)cc2)cc1,C1CCCCC1,621.0
9446,COc1ccc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)n4[B-](F)(F)[N+]3=C2c2ccc(OC)cc2)cc1,C1CCOC1,621.0
9446,COc1ccc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)n4[B-](F)(F)[N+]3=C2c2ccc(OC)cc2)cc1,CC#N,608.0
9446,COc1ccc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)n4[B-](F)(F)[N+]3=C2c2ccc(OC)cc2)cc1,Cc1ccccc1,625.0
9446,COc1ccc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)n4[B-](F)(F)[N+]3=C2c2ccc(OC)cc2)cc1,ClCCl,616.0
9461,COc1ccc(C2=[N+]3C(=C(c4ccc(C#N)cc4)c4cc(-c5ccc(C#N)cc5)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C=C2c2ccc(C#N)cc2)cc1,C1CCOC1,618.0
9461,COc1ccc(C2=[N+]3C(=C(c4ccc(C#N)cc4)c4cc(-c5ccc(C#N)cc5)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C=C2c2ccc(C#N)cc2)cc1,CC#N,606.0
9461,COc1ccc(C2=[N+]3C(=C(c4ccc(C#N)cc4)c4cc(-c5ccc(C#N)cc5)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C=C2c2ccc(C#N)cc2)cc1,Cc1ccccc1,626.0
11536,Cc1cccc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cccc(C)c5)c(-c5cccc(C)c5)n4[B-](F)(F)[N+]3=C2c2cccc(C)c2)c1,ClCCl,573.0
11536,Cc1cccc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cccc(C)c5)c(-c5cccc(C)c5)n4[B-](F)(F)[N+]3=C2c2cccc(C)c2)c1,C1CCCCC1,579.0
11536,Cc1cccc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cccc(C)c5)c(-c5cccc(C)c5)n4[B-](F)(F)[N+]3=C2c2cccc(C)c2)c1,C1CCOC1,577.0
11536,Cc1cccc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cccc(C)c5)c(-c5cccc(C)c5)n4[B-](F)(F)[N+]3=C2c2cccc(C)c2)c1,CC#N,559.0
11536,Cc1cccc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cccc(C)c5)c(-c5cccc(C)c5)n4[B-](F)(F)[N+]3=C2c2cccc(C)c2)c1,Cc1ccccc1,571.0
1085,CC(C)(C)c1ccc(C2=C(Br)C3=C(c4ccccc4)c4c(Br)c(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(C(C)(C)C)cc5)n4[B-](F)(F)[N+]3=C2c2ccc(C(C)(C)C)cc2)cc1,C1CCCCC1,577.0
1085,CC(C)(C)c1ccc(C2=C(Br)C3=C(c4ccccc4)c4c(Br)c(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(C(C)(C)C)cc5)n4[B-](F)(F)[N+]3=C2c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,577.0
1085,CC(C)(C)c1ccc(C2=C(Br)C3=C(c4ccccc4)c4c(Br)c(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(C(C)(C)C)cc5)n4[B-](F)(F)[N+]3=C2c2ccc(C(C)(C)C)cc2)cc1,CC#N,559.0
1085,CC(C)(C)c1ccc(C2=C(Br)C3=C(c4ccccc4)c4c(Br)c(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(C(C)(C)C)cc5)n4[B-](F)(F)[N+]3=C2c2ccc(C(C)(C)C)cc2)cc1,Cc1ccccc1,581.0
1085,CC(C)(C)c1ccc(C2=C(Br)C3=C(c4ccccc4)c4c(Br)c(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(C(C)(C)C)cc5)n4[B-](F)(F)[N+]3=C2c2ccc(C(C)(C)C)cc2)cc1,ClCCl,572.0
9907,COc1cccc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cccc(OC)c5)c(-c5cccc(OC)c5)n4[B-](F)(F)[N+]3=C2c2cccc(OC)c2)c1,C1CCCCC1,596.0
9907,COc1cccc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cccc(OC)c5)c(-c5cccc(OC)c5)n4[B-](F)(F)[N+]3=C2c2cccc(OC)c2)c1,C1CCOC1,592.0
9907,COc1cccc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cccc(OC)c5)c(-c5cccc(OC)c5)n4[B-](F)(F)[N+]3=C2c2cccc(OC)c2)c1,CC#N,581.0
9907,COc1cccc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cccc(OC)c5)c(-c5cccc(OC)c5)n4[B-](F)(F)[N+]3=C2c2cccc(OC)c2)c1,Cc1ccccc1,596.0
9907,COc1cccc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cccc(OC)c5)c(-c5cccc(OC)c5)n4[B-](F)(F)[N+]3=C2c2cccc(OC)c2)c1,ClCCl,588.0
10726,Cc1cc(C)c(C2=C3C=C(c4ccc(C(C)(C)C)cc4)C(c4ccc(C(C)(C)C)cc4)=[N+]3[B-](F)(F)n3c2cc(-c2ccc(C(C)(C)C)cc2)c3-c2ccc(C(C)(C)C)cc2)c(C)c1,C1CCCCC1,602.0
10726,Cc1cc(C)c(C2=C3C=C(c4ccc(C(C)(C)C)cc4)C(c4ccc(C(C)(C)C)cc4)=[N+]3[B-](F)(F)n3c2cc(-c2ccc(C(C)(C)C)cc2)c3-c2ccc(C(C)(C)C)cc2)c(C)c1,C1CCOC1,602.0
1096,CC(C)(C)c1ccc(C2=CC3=C(c4ccccc4)c4cc(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(C(C)(C)C)cc5)n4[B-](F)(F)[N+]3=C2c2ccc(C(C)(C)C)cc2)cc1,C1CCCCC1,602.0
1096,CC(C)(C)c1ccc(C2=CC3=C(c4ccccc4)c4cc(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(C(C)(C)C)cc5)n4[B-](F)(F)[N+]3=C2c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,601.0
1096,CC(C)(C)c1ccc(C2=CC3=C(c4ccccc4)c4cc(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(C(C)(C)C)cc5)n4[B-](F)(F)[N+]3=C2c2ccc(C(C)(C)C)cc2)cc1,CC#N,590.0
1096,CC(C)(C)c1ccc(C2=CC3=C(c4ccccc4)c4cc(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(C(C)(C)C)cc5)n4[B-](F)(F)[N+]3=C2c2ccc(C(C)(C)C)cc2)cc1,Cc1ccccc1,605.0
1096,CC(C)(C)c1ccc(C2=CC3=C(c4ccccc4)c4cc(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(C(C)(C)C)cc5)n4[B-](F)(F)[N+]3=C2c2ccc(C(C)(C)C)cc2)cc1,ClCCl,598.0
10726,Cc1cc(C)c(C2=C3C=C(c4ccc(C(C)(C)C)cc4)C(c4ccc(C(C)(C)C)cc4)=[N+]3[B-](F)(F)n3c2cc(-c2ccc(C(C)(C)C)cc2)c3-c2ccc(C(C)(C)C)cc2)c(C)c1,CC#N,592.0
10726,Cc1cc(C)c(C2=C3C=C(c4ccc(C(C)(C)C)cc4)C(c4ccc(C(C)(C)C)cc4)=[N+]3[B-](F)(F)n3c2cc(-c2ccc(C(C)(C)C)cc2)c3-c2ccc(C(C)(C)C)cc2)c(C)c1,Cc1ccccc1,606.0
10726,Cc1cc(C)c(C2=C3C=C(c4ccc(C(C)(C)C)cc4)C(c4ccc(C(C)(C)C)cc4)=[N+]3[B-](F)(F)n3c2cc(-c2ccc(C(C)(C)C)cc2)c3-c2ccc(C(C)(C)C)cc2)c(C)c1,ClCCl,599.0
10727,Cc1cc(C)c(C2=C3C=C(c4ccccc4)C(c4ccccc4)=[N+]3[B-](F)(F)n3c2cc(-c2ccccc2)c3-c2ccccc2)c(C)c1,C1CCCCC1,590.0
10727,Cc1cc(C)c(C2=C3C=C(c4ccccc4)C(c4ccccc4)=[N+]3[B-](F)(F)n3c2cc(-c2ccccc2)c3-c2ccccc2)c(C)c1,C1CCOC1,587.0
10727,Cc1cc(C)c(C2=C3C=C(c4ccccc4)C(c4ccccc4)=[N+]3[B-](F)(F)n3c2cc(-c2ccccc2)c3-c2ccccc2)c(C)c1,CC#N,578.0
10727,Cc1cc(C)c(C2=C3C=C(c4ccccc4)C(c4ccccc4)=[N+]3[B-](F)(F)n3c2cc(-c2ccccc2)c3-c2ccccc2)c(C)c1,Cc1ccccc1,592.0
10727,Cc1cc(C)c(C2=C3C=C(c4ccccc4)C(c4ccccc4)=[N+]3[B-](F)(F)n3c2cc(-c2ccccc2)c3-c2ccccc2)c(C)c1,ClCCl,585.0
10884,Cc1cc2sccc2c2[nH]c3ccccc3c12,ClCCl,290.0
8449,COC(=O)c1nc(-c2ccco2)oc1C,CCO,277.0
8449,COC(=O)c1nc(-c2ccco2)oc1C,CCOC(C)=O,276.0
8449,COC(=O)c1nc(-c2ccco2)oc1C,C1CCCCC1,276.0
8449,COC(=O)c1nc(-c2ccco2)oc1C,CC#N,276.0
14969,c1ccc(-c2cc3ccc4c(ccc5cc(-c6ccccc6)oc54)c3o2)cc1,ClCCl,377.0
12952,N#Cc1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21,Cc1ccccc1,355.0
1263,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1C#N,Cc1ccccc1,367.0
9750,COc1ccc2c(c1)c1cc(OC)ccc1n2-c1cccc(-n2c3ccc(OC)cc3c3cc(OC)ccc32)c1C#N,Cc1ccccc1,391.0
11454,Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1C#N,Cc1ccccc1,368.0
13051,N#Cc1cc(C#N)c(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21,Cc1ccccc1,374.0
15273,c1ccc(N(c2ccccc2)c2ccc(-c3cnc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)cc2)cc1,CO,398.0
414,C1=C2B(OB3C(=Cc4ccccc4N3Cc3ccccc3)C(c3ccccc3)=C2c2ccccc2)N(Cc2ccccc2)c2ccccc21,ClCCl,415.0
12225,Fc1ccc2c(c1)N(Cc1ccccc1)B1OB3C(=Cc4ccc(F)cc4N3Cc3ccccc3)C(c3ccccc3)=C(c3ccccc3)C1=C2,ClCCl,412.0
11445,Cc1ccc2c(c1)N(Cc1ccccc1)B1OB3C(=Cc4ccc(C)cc4N3Cc3ccccc3)C(c3ccccc3)=C(c3ccccc3)C1=C2,ClCCl,421.0
7941,CN1/C(=C\C=C\C2=C3C=CC(c4ccccc4)=[N+]3[B-](F)(F)n3c2ccc3-c2ccccc2)Sc2ccccc21,CC#N,683.0
14459,O=c1c2cc(F)c(O)cc2n(-c2ccccc2)c2cc(O)c(F)cc12,CCO,377.0
8850,COc1cc2c(cc1F)c(=O)c1cc(F)c(OC)cc1n2-c1ccccc1,CCO,378.0
5366,CCCCN1c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2Sc2cc(-c3nc4ccccc4n3-c3ccccc3)ccc21,C1CCOC1,459.0
7995,CN1C(=O)/C(=C/c2ccncc2)N=C1/C=C/c1ccncc1,O,402.0
7995,CN1C(=O)/C(=C/c2ccncc2)N=C1/C=C/c1ccncc1,C1COCCO1,408.0
7995,CN1C(=O)/C(=C/c2ccncc2)N=C1/C=C/c1ccncc1,CC#N,408.0
7995,CN1C(=O)/C(=C/c2ccncc2)N=C1/C=C/c1ccncc1,CCO,408.0
7995,CN1C(=O)/C(=C/c2ccncc2)N=C1/C=C/c1ccncc1,CCOC(C)=O,408.0
5179,CCCCC[C@H](CC)N1c2ccc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc2Oc2cc(-c3ccc(/C=C(/C#N)C(=O)O)s3)ccc21,C1CCOC1,476.0
7022,CC[n+]1c(-c2ccccc2)c2cc(NC(=O)N[C@H]3C[C@@H]([NH3+])[C@H](O)[C@@H](O)[C@@H]3O)ccc2c2ccc(NC(=O)N[C@@H]3C[C@H]([NH3+])[C@@H](O)[C@@H](O)[C@H]3O)cc21,O,438.0
12387,N#C/C(=C\c1ccc(-c2cc3sc4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)sc4c3s2)cc1)C(=O)O,ClCCl,470.0
2084,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(-c3[nH]c(C)cc3C)n1[B-]2(F)F,ClCCl,609.0
2294,CCC1(CC)c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,487.0
2878,CCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(/C=C(\C#N)C(=O)O)s4)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,Cc1ccccc1,426.0
2883,CCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4ccc(C=C(C#N)C#N)s4)s3)ccc2-c2ccc(N(c3ccccc3)c3ccc(C(=O)O)cc3)cc21,C1CCOC1,489.0
4742,CCCCCCc1cc(-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)s2)sc1/C=C(\C#N)C(=O)O,Cc1ccccc1,469.0
4781,CCCCCCc1cc(-c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)sc1-c1ccc(/C=C(\C#N)C(=O)O)s1,Cc1ccccc1,452.0
2872,CCCCCCC1(CCCCCC)c2cc(-c3cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,Cc1ccccc1,466.0
4602,CCCCCCOc1ccc(N2c3ccc(/C=C(\C#N)C(=O)O)cc3Oc3cc(-c4ccc(OCCCC)cc4OCCCC)ccc32)cc1,CCO,480.0
4602,CCCCCCOc1ccc(N2c3ccc(/C=C(\C#N)C(=O)O)cc3Oc3cc(-c4ccc(OCCCC)cc4OCCCC)ccc32)cc1,ClCCl,500.0
14550,O=c1oc2ccccc2c2cc(N3c4ccccc4Oc4ccccc43)ccc12,Cc1ccccc1,395.0
204,C(=C/c1c[nH]c2ccccc12)\c1cc[n+]2ccc(/C=C/c3c[nH]c4ccccc34)cc2c1,CO,489.0
4211,CCCCCCOc1cc(N(CC)CC)ccc1/C=C/C(=C(C#N)C#N)c1ccc2c(c1)c1ccccc1n2CC,ClCCl,504.0
627,CC(=O)OCCOCCN1C(=O)c2cc(NCCOCCO)c3c4c(cc(NCCOCCO)c(c24)C1=O)C(=O)N(CCOCCOC(C)=O)C3=O,CO,604.0
627,CC(=O)OCCOCCN1C(=O)c2cc(NCCOCCO)c3c4c(cc(NCCOCCO)c(c24)C1=O)C(=O)N(CCOCCOC(C)=O)C3=O,ClC(Cl)Cl,610.0
627,CC(=O)OCCOCCN1C(=O)c2cc(NCCOCCO)c3c4c(cc(NCCOCCO)c(c24)C1=O)C(=O)N(CCOCCOC(C)=O)C3=O,O,622.0
8506,COCCOCCOCCN1C(=O)c2cc(NCCOCCO)c3c4c(cc(NCCOCCO)c(c24)C1=O)C(=O)N(CCOCCOCCOC)C3=O,CO,604.0
8506,COCCOCCOCCN1C(=O)c2cc(NCCOCCO)c3c4c(cc(NCCOCCO)c(c24)C1=O)C(=O)N(CCOCCOCCOC)C3=O,ClC(Cl)Cl,610.0
8506,COCCOCCOCCN1C(=O)c2cc(NCCOCCO)c3c4c(cc(NCCOCCO)c(c24)C1=O)C(=O)N(CCOCCOCCOC)C3=O,O,621.0
8509,COCCOCCOCCNc1cc2c3c(c(NCCOCCOCCOC)cc4c3c1C(=O)N(CCOCCOCCOC)C4=O)C(=O)N(CCOCCOCCOC)C2=O,CO,605.0
514,C=CCNc1cc2c3c(c(NC=C)cc4c3c1C(=O)N(CC=C)C4=O)C(=O)N(CC=C)C2=O,Cc1ccccc1,601.0
515,C=CCNc1cc2c3c(ccc4c3c1C(=O)N(CC=C)C4=O)C(=O)N(CC=C)C2=O,Cc1ccccc1,513.0
3280,CCCCCCCCCCN1C(=O)c2cc(NCCCOCCO)c3c4c(cc(NCCCOCCO)c(c24)C1=O)C(=O)N(CCCCCCCCCC)C3=O,CO,604.0
3280,CCCCCCCCCCN1C(=O)c2cc(NCCCOCCO)c3c4c(cc(NCCCOCCO)c(c24)C1=O)C(=O)N(CCCCCCCCCC)C3=O,ClC(Cl)Cl,609.0
8509,COCCOCCOCCNc1cc2c3c(c(NCCOCCOCCOC)cc4c3c1C(=O)N(CCOCCOCCOC)C4=O)C(=O)N(CCOCCOCCOC)C2=O,ClC(Cl)Cl,610.0
8509,COCCOCCOCCNc1cc2c3c(c(NCCOCCOCCOC)cc4c3c1C(=O)N(CCOCCOCCOC)C4=O)C(=O)N(CCOCCOCCOC)C2=O,O,623.0
14972,c1ccc(-c2cc3ccc4cccc5ccc(c2)c3c45)nc1,Cc1ccccc1,338.0
3143,CCCCCCCCCCCCN1C(=O)c2cccc3c(N(Cc4ccccn4)Cc4ccccn4)c4ccccc4c(c23)C1=O,C1CCOC1,497.0
3143,CCCCCCCCCCCCN1C(=O)c2cccc3c(N(Cc4ccccn4)Cc4ccccn4)c4ccccc4c(c23)C1=O,CCCCCC,480.0
3143,CCCCCCCCCCCCN1C(=O)c2cccc3c(N(Cc4ccccn4)Cc4ccccn4)c4ccccc4c(c23)C1=O,CCO,488.0
3143,CCCCCCCCCCCCN1C(=O)c2cccc3c(N(Cc4ccccn4)Cc4ccccn4)c4ccccc4c(c23)C1=O,Cc1ccccc1,492.0
3143,CCCCCCCCCCCCN1C(=O)c2cccc3c(N(Cc4ccccn4)Cc4ccccn4)c4ccccc4c(c23)C1=O,ClCCl,500.0
14263,O=S1(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2cc(-n3c4ccccc4c4ccccc43)ccc21,Cc1ccccc1,351.0
14263,O=S1(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2cc(-n3c4ccccc4c4ccccc43)ccc21,ClC(Cl)Cl,354.0
15200,c1ccc(C2(c3ccccc3)c3cc4c(cc3-c3ccc5ccc6cccc7cc2c3c5c67)-c2ccc3ccc5cccc6cc(c2c3c56)C4(c2ccccc2)c2ccccc2)cc1,CCOC(C)=O,400.0
15200,c1ccc(C2(c3ccccc3)c3cc4c(cc3-c3ccc5ccc6cccc7cc2c3c5c67)-c2ccc3ccc5cccc6cc(c2c3c56)C4(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,404.0
15200,c1ccc(C2(c3ccccc3)c3cc4c(cc3-c3ccc5ccc6cccc7cc2c3c5c67)-c2ccc3ccc5cccc6cc(c2c3c56)C4(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,404.0
15200,c1ccc(C2(c3ccccc3)c3cc4c(cc3-c3ccc5ccc6cccc7cc2c3c5c67)-c2ccc3ccc5cccc6cc(c2c3c56)C4(c2ccccc2)c2ccccc2)cc1,C1CCCCC1,401.0
15200,c1ccc(C2(c3ccccc3)c3cc4c(cc3-c3ccc5ccc6cccc7cc2c3c5c67)-c2ccc3ccc5cccc6cc(c2c3c56)C4(c2ccccc2)c2ccccc2)cc1,CC#N,400.0
8420,COC(=O)c1ccn2c(NC3CCCCC3)c(-c3ccc(Br)cc3)nc2c1,CS(C)=O,388.0
8424,COC(=O)c1ccn2c(NC3CCCCC3)c(-c3ccc(O)cc3O)nc2c1,CS(C)=O,394.0
8425,COC(=O)c1ccn2c(NC3CCCCC3)c(-c3ccc(OC)cc3)nc2c1,CS(C)=O,387.0
8426,COC(=O)c1ccn2c(NC3CCCCC3)c(-c3ccc(OC)cc3O)nc2c1,CS(C)=O,391.0
9150,COc1ccc(-c2nc3cc(C#N)ccn3c2NC2CCCCC2)cc1,CS(C)=O,389.0
8428,COC(=O)c1ccn2c(NC3CCCCC3)c(-c3cccc(OC)c3)nc2c1,CS(C)=O,384.0
8429,COC(=O)c1ccn2c(NC3CCCCC3)c(-c3ccccc3S(=O)(=O)O)nc2c1,CS(C)=O,382.0
9151,COc1ccc(-c2nc3cc(CO)ccn3c2NC2CCCCC2)cc1,CS(C)=O,341.0
8401,COC(=O)c1cccc2nc(-c3ccc(OC)cc3)c(NC3CCCCC3)n12,CS(C)=O,355.0
9152,COc1ccc(-c2nc3cc(Cl)ccn3c2NC2CCCCC2)cc1,CS(C)=O,357.0
9157,COc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1,CS(C)=O,350.0
14605,Oc1c(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)ccc2c1c1ccccc1n2-c1ccccc1,ClCCl,393.0
14605,Oc1c(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)ccc2c1c1ccccc1n2-c1ccccc1,C1CCOC1,392.0
14605,Oc1c(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)ccc2c1c1ccccc1n2-c1ccccc1,CC#N,389.0
14605,Oc1c(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)ccc2c1c1ccccc1n2-c1ccccc1,CCCCCC,391.0
14605,Oc1c(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)ccc2c1c1ccccc1n2-c1ccccc1,CO,388.0
14605,Oc1c(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)ccc2c1c1ccccc1n2-c1ccccc1,CS(C)=O,394.0
14605,Oc1c(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)ccc2c1c1ccccc1n2-c1ccccc1,Cc1ccccc1,394.0
972,CC(C)(C)c1cc2c3c(c1)C(C)(C)c1cc(C(C)(C)C)cc4c1N3c1c(cc(-c3ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s3)cc1C4(C)C)C2(C)C,C1CCOC1,471.0
7184,CCn1c2ccccc2c2cc(-c3ccc(C=C4C(=O)NC(=O)NC4=O)s3)ccc21,CCO,493.0
13612,O=C(O)CN1C(=O)/C(=C/c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4[nH]c4ccccc45)cc3)cc2)SC1=S,CCO,470.0
15241,c1ccc(Cn2c3ccccc3c3c(-c4ccccc4)c4oc5ccccc5c4cc32)cc1,CCO,330.0
4133,CCCCCCN1c2ccccc2Sc2cc(-c3ccc4c(c3)c3nc5cc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)ccc5nc3n4CC)ccc21,CN(C)C=O,392.0
10428,Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(S(=O)(=O)c2ccccc2)cc1C,Cc1ccccc1,340.0
10424,Cc1cc(-n2c3ccccc3c3cc(C#N)ccc32)ccc1-c1ccc(S(=O)(=O)c2ccccc2)cc1C,Cc1ccccc1,341.0
5315,CCCCN1C(=O)C2=C(c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)o4)cc3)N(CCCC)C(=O)C2=C1c1ccc(-c2ccc3c(c2)C2CCCC2N3c2ccc(C)cc2)cc1,ClCCl,529.0
10078,C[C@@H]1CC(C)(C)N(Cc2ccccc2)c2ccc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)s3)cc21,CCO,470.0
2190,CC1CC(C)(C)N(Cc2ccccc2)c2ccc(C=Cc3ccc(C=C(C#N)C(=O)O)s3)cc21,CCO,470.0
15181,c1ccc(/C(=C(\c2ccccc2)c2cc(-c3ccccc3)ccc2-c2ccccc2)c2cc(-c3ccccc3)ccc2-c2ccccc2)cc1,C1CCOC1,275.0
10944,Cc1ccc(-c2ccc(-c3ccc(C)cc3)c(/C(=C(/c3ccccc3)c3cc(-c4ccc(C)cc4)ccc3-c3ccc(C)cc3)c3ccccc3)c2)cc1,C1CCOC1,282.0
12423,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3n[se]nc23)s1)C(=O)O,C1CCOC1,503.0
12662,N#CC(=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3n[se]nc23)s1)C(=O)O,C1CCOC1,502.0
3579,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)c4n[se]nc34)cc2)cc1,C1CCOC1,503.0
3582,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)c4n[se]nc34)cc2)cc1,C1CCOC1,522.0
14425,O=c1[nH]nc(-c2ccc(/C=C/c3ccc(-c4n[nH]c(=O)o4)cc3)cc2)o1,CN(C)C=O,334.0
8700,COc1cc(/C=C/c2nc3ccccc3s2)c(OC)cc1/C=C/c1nc(C)nc(/C=C/c2cc(OC)c(/C=C/c3nc4ccccc4s3)cc2OC)n1,ClCCl,438.0
8700,COc1cc(/C=C/c2nc3ccccc3s2)c(OC)cc1/C=C/c1nc(C)nc(/C=C/c2cc(OC)c(/C=C/c3nc4ccccc4s3)cc2OC)n1,C1CCOC1,436.0
8700,COc1cc(/C=C/c2nc3ccccc3s2)c(OC)cc1/C=C/c1nc(C)nc(/C=C/c2cc(OC)c(/C=C/c3nc4ccccc4s3)cc2OC)n1,CC#N,435.0
8700,COc1cc(/C=C/c2nc3ccccc3s2)c(OC)cc1/C=C/c1nc(C)nc(/C=C/c2cc(OC)c(/C=C/c3nc4ccccc4s3)cc2OC)n1,ClC(Cl)Cl,441.0
442,C1=CSC(=C2SC=C(/C=C/C=C/C=C/C3=CSC(=C4SC=CS4)S3)S2)S1,CO,463.0
442,C1=CSC(=C2SC=C(/C=C/C=C/C=C/C3=CSC(=C4SC=CS4)S3)S2)S1,Cc1ccccc1,493.0
442,C1=CSC(=C2SC=C(/C=C/C=C/C=C/C3=CSC(=C4SC=CS4)S3)S2)S1,ClC(Cl)(Cl)Cl,499.0
442,C1=CSC(=C2SC=C(/C=C/C=C/C=C/C3=CSC(=C4SC=CS4)S3)S2)S1,ClC(Cl)Cl,483.0
442,C1=CSC(=C2SC=C(/C=C/C=C/C=C/C3=CSC(=C4SC=CS4)S3)S2)S1,ClCCl,482.0
442,C1=CSC(=C2SC=C(/C=C/C=C/C=C/C3=CSC(=C4SC=CS4)S3)S2)S1,C1CCOC1,476.0
442,C1=CSC(=C2SC=C(/C=C/C=C/C=C/C3=CSC(=C4SC=CS4)S3)S2)S1,C1COCCO1,479.0
442,C1=CSC(=C2SC=C(/C=C/C=C/C=C/C3=CSC(=C4SC=CS4)S3)S2)S1,CC#N,463.0
442,C1=CSC(=C2SC=C(/C=C/C=C/C=C/C3=CSC(=C4SC=CS4)S3)S2)S1,CC(C)=O,467.0
442,C1=CSC(=C2SC=C(/C=C/C=C/C=C/C3=CSC(=C4SC=CS4)S3)S2)S1,CC1CCCCC1,493.0
442,C1=CSC(=C2SC=C(/C=C/C=C/C=C/C3=CSC(=C4SC=CS4)S3)S2)S1,CCCCCC,491.0
442,C1=CSC(=C2SC=C(/C=C/C=C/C=C/C3=CSC(=C4SC=CS4)S3)S2)S1,CCOCC,479.0
442,C1=CSC(=C2SC=C(/C=C/C=C/C=C/C3=CSC(=C4SC=CS4)S3)S2)S1,CN(C)C=O,464.0
4493,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(OCCCCCC)cc5)c5ccc(OCCCCCC)cc5)cc4)c4nc(-c5ccc(C(=O)O)cc5)c(-c5ccc(C(=O)O)cc5)nc34)cc2)cc1,ClCCl,479.0
15099,c1ccc(-c2nc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3nc2-c2ccccc2)cc1,ClC(Cl)Cl,437.0
4438,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4sc5cc(-c6sc(/C=C(/C#N)C(=O)O)c7c6OCCO7)sc5c4s3)cc2)cc1,ClC(Cl)Cl,497.0
13606,O=C(O)CN1C(=O)/C(=C/c2ccc(N(c3ccc(-c4cccc5c4[nH]c4ccccc45)cc3)c3ccc(-c4cccc5c4[nH]c4ccccc45)cc3)cc2)SC1=S,CCO,477.0
4731,CCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(-c4ccc5c(c4)c4c6c(c7ccccc7n6CC(CC)CCCC)c6c(c7ccccc7n6CC(CC)CCCC)c4n5CC(CC)CCCC)s3)c3nsnc23)sc1C#Cc1ccc(C(=O)O)cc1,ClCCl,519.0
149,C(#Cc1ccccc1)C(C#Cc1ccccc1)=Cc1ccc(C=C(C#Cc2ccccc2)C#Cc2ccccc2)s1,ClC(Cl)Cl,468.0
15275,c1ccc(N(c2ccccc2)c2ccc(-c3cncs3)cc2)cc1,CO,346.0
11154,Cc1ccc(C2=C3C=CC(n4cc(-c5ccccc5)cn4)=[N+]3[B-](F)(F)n3c2ccc3-n2cc(-c3ccccc3)cn2)cc1,ClCCl,584.0
9214,COc1ccc(-n2nc(C#N)c(NC3CCCCC3)n2)cc1,CCO,333.0
9214,COc1ccc(-n2nc(C#N)c(NC3CCCCC3)n2)cc1,CN(C)C=O,336.0
9214,COc1ccc(-n2nc(C#N)c(NC3CCCCC3)n2)cc1,ClC(Cl)Cl,330.0
9214,COc1ccc(-n2nc(C#N)c(NC3CCCCC3)n2)cc1,CC#N,330.0
9214,COc1ccc(-n2nc(C#N)c(NC3CCCCC3)n2)cc1,CCCCCC,325.0
2797,CCCCC1(CCCC)c2ccccc2-c2ccc(N3c4ccc(/C=C5\C(=O)N(CC(=O)O)C(=O)C(C#N)=C5C)cc4C4CCCC43)cc21,ClC(Cl)Cl,577.0
2805,CCCCC1=C(C#N)C(=O)N(CC(=O)O)C(=O)/C1=C\c1ccc2c(c1)C1CCCC1N2c1ccc2c(c1)C(CCCC)(CCCC)c1ccccc1-2,ClC(Cl)Cl,577.0
12590,N#C/C(=C\c1ccc2c(c1)Sc1ccccc1N2CCCCCCCN1c2ccccc2Sc2cc(/C=C(\C#N)C(=O)O)ccc21)C(=O)O,CN(C)C=O,416.0
11930,Cn1nc2ccc([N+](=O)[O-])cc2c1-c1cn(C)c2ccccc12,CC#N,400.0
11930,Cn1nc2ccc([N+](=O)[O-])cc2c1-c1cn(C)c2ccccc12,ClCCl,395.0
7804,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1,CS(C)=O,429.0
7803,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)C3CCCC3)cc2)cc1,CS(C)=O,426.0
4499,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)c(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)n4CCCCCC)s3)cc2)cc1,C1CCOC1,484.0
14531,O=c1oc2cc3c(cc2cc1/C=C/c1ccccc1)OCO3,CC#N,369.0
7723,CN(C)c1ccc2cc(C(/C=C/c3c[nH]c4ccccc34)=C(C#N)C#N)c(=O)oc2c1,C1CCOC1,447.0
7723,CN(C)c1ccc2cc(C(/C=C/c3c[nH]c4ccccc34)=C(C#N)C#N)c(=O)oc2c1,C1COCCO1,444.0
7723,CN(C)c1ccc2cc(C(/C=C/c3c[nH]c4ccccc34)=C(C#N)C#N)c(=O)oc2c1,CN(C)C=O,466.0
7723,CN(C)c1ccc2cc(C(/C=C/c3c[nH]c4ccccc34)=C(C#N)C#N)c(=O)oc2c1,CS(C)=O,470.0
7723,CN(C)c1ccc2cc(C(/C=C/c3c[nH]c4ccccc34)=C(C#N)C#N)c(=O)oc2c1,ClCCl,446.0
7724,CN(C)c1ccc2cc(C(/C=C/c3cn(C)c4ccccc34)=C(C#N)C#N)c(=O)oc2c1,C1CCOC1,455.0
7724,CN(C)c1ccc2cc(C(/C=C/c3cn(C)c4ccccc34)=C(C#N)C#N)c(=O)oc2c1,C1COCCO1,452.0
7724,CN(C)c1ccc2cc(C(/C=C/c3cn(C)c4ccccc34)=C(C#N)C#N)c(=O)oc2c1,CN(C)C=O,471.0
7724,CN(C)c1ccc2cc(C(/C=C/c3cn(C)c4ccccc34)=C(C#N)C#N)c(=O)oc2c1,CS(C)=O,477.0
7724,CN(C)c1ccc2cc(C(/C=C/c3cn(C)c4ccccc34)=C(C#N)C#N)c(=O)oc2c1,ClCCl,461.0
11807,Clc1ncc(-c2c3ccccc3c(-c3cnc(Cl)nc3)c3ccccc23)cn1,CCO,394.0
11807,Clc1ncc(-c2c3ccccc3c(-c3cnc(Cl)nc3)c3ccccc23)cn1,ClCCl,396.0
13229,N#Cc1ncc(-c2c3ccccc3c(-c3cnc(C#N)nc3)c3ccccc23)cn1,ClCCl,397.0
13229,N#Cc1ncc(-c2c3ccccc3c(-c3cnc(C#N)nc3)c3ccccc23)cn1,CCO,395.0
8563,COCc1ncc(-c2c3ccccc3c(-c3cnc(COC)nc3)c3ccccc23)cn1,CCO,395.0
8563,COCc1ncc(-c2c3ccccc3c(-c3cnc(COC)nc3)c3ccccc23)cn1,ClCCl,397.0
15356,c1ccc2c(-c3cncnc3)c3ccccc3c(-c3cncnc3)c2c1,CCO,394.0
15356,c1ccc2c(-c3cncnc3)c3ccccc3c(-c3cncnc3)c2c1,ClCCl,397.0
6097,CCN(CC)c1ccc2c(/C=C3\Sc4ccccc4N3C)cc(N3CC[N+](C)(CC[N+](C)(C)C)CC3)[o+]c2c1,CCO,492.0
12779,N#CC(=Cc1ccc(N(c2ccc(C#Cc3cccnc3)cc2)c2ccc(C#Cc3cccnc3)cc2)cc1)C(=O)O,ClCCl,443.0
12052,F[B-]1(F)Oc2ccccc2-c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc[n+]21,Cc1ccccc1,374.0
5740,CCCCn1c2ccc(C#Cc3cccs3)cc2c2c1c1c3ccc(C#Cc4cccs4)cc3n(CCCC)c1c1c3ccc(C#Cc4cccs4)cc3n(CCCC)c21,C1CCOC1,348.0
10300,Cc1c(C(=O)ON2C(=O)C=CC2=O)c(=O)oc2c(F)c(O)c(F)cc12,O,416.0
9821,COc1ccc2cc(C(=O)ON3C(=O)C=CC3=O)c(=O)oc2c1,CO,358.0
13791,O=C(ON1C(=O)C=CC1=O)c1cc2ccc(O)cc2oc1=O,CO,419.0
2075,CC1=CC(C)=[N+]2C1=C(c1ccc(OCCN3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CCO,500.0
7528,CN(C)c1ccc(C(=Cc2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(/C=C6\SC(=S)N(CC(=O)O)C6=O)cc5)cc4)s3)cc2)c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,478.0
15386,c1ccc2c(c1)-c1ccccc1C21c2ccccc2N(c2ccc(-c3nc([C@]45CC6CC(C[C@@H](C6)C4)C5)nc([C@]45C[C@@H]6C[C@H](C[C@H](C6)C4)C5)n3)cc2)c2ccccc21,Cc1ccccc1,380.104712
1464,CC(C)c1cc(C(C)C)c(B2c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc3N(c3ccccc3)c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc32)c(C(C)C)c1,C1CCCCC1,374.829932
2127,CC1=[N+]2C(=C(/C=C/c3ccc(C(F)(F)F)cc3)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,C1CCCCC1,620.0
2127,CC1=[N+]2C(=C(/C=C/c3ccc(C(F)(F)F)cc3)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,CCOC(C)=O,617.5
9344,COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)cc2)cc1,C1CCCCC1,333.0
9344,COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)cc2)cc1,C1COCCO1,333.0
9344,COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)cc2)cc1,CC#N,331.0
9344,COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)cc2)cc1,CCO,333.0
9344,COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)cc2)cc1,CS(C)=O,336.0
9344,COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)cc2)cc1,ClC(Cl)Cl,335.0
9344,COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)cc2)cc1,ClCCl,334.0
5038,CCCCCCn1c2cc(/C=C(\C#N)C(=O)O)sc2c2c3nn(CC(CC)CCCC)nc3c3c4sc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4n(CCCCCC)c3c21,C1CCOC1,480.0
7942,CN1/C(=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2cc(CC(=O)O)ccc21,CCO,555.0
6325,CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21,CO,544.0
8548,COCC[N+]1=C(/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21,O,551.0
5295,CCCCN1/C(=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2cc(Br)ccc21,CS(C)=O,556.0
5296,CCCCN1/C(=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2cc(OC)ccc21,CS(C)=O,566.0
5297,CCCCN1/C(=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21,CS(C)=O,552.0
8549,COCC[N+]1=C(/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21,O,551.0
8551,COCC[N+]1=C(/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)CCCS(=O)(=O)O)C(C)(CCCS(=O)(=O)O)c2cc(S(=O)(=O)O)ccc21,O,556.0
8552,COCC[N+]1=C(/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)CCCS(=O)(=O)O)C(C)(CCCS(=O)(=O)O)c2cc(S(=O)(=O)[O-])ccc21,O,556.0
8554,COCC[N+]1=C(/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21,O,551.0
8555,COCC[N+]1=C(/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)CCCS(=O)(=O)O)C(C)(C)c2cc(S(=O)(=O)O)ccc21,O,554.0
8558,COCC[N+]1=C(/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)CCCS(=O)(=O)[O-])C(C)(C)c2cc(S(=O)(=O)[O-])ccc21,O,554.0
10128,C[N+]1=C(/C=C/C=C2/N(CCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2ccccc21,CS(C)=O,553.0
10129,C[N+]1=C(/C=C/C=C2/N(CCC[N+](C)(C)C)c3ccc(Br)cc3C2(C)C)C(C)(C)c2ccccc21,CS(C)=O,556.0
6315,CCN1/C(=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21,CS(C)=O,552.0
7931,CN1/C(=C/C=C/C2=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21,O,548.0
10130,C[N+]1=C(/C=C/C=C2/N(CCC[N+](C)(C)C)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2ccccc21,CS(C)=O,556.0
10131,C[N+]1=C(/C=C/C=C2/N(CCC[N+](C)(C)C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21,CS(C)=O,552.0
6992,CC[N+]1=c2cc3c(cc2C(C)=CC1(C)C)=Cc1ccc(N(C)C)cc1C3(C)C,CCO,634.0
2753,CCCCC(CC)Cn1nc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc(-c3ccc(C=C(C#N)C(=O)O)s3)c2n1,ClCCl,449.0
3883,CCCCCCCCn1nc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc(-c3ccc(C=C(C#N)C(=O)O)s3)c2n1,ClCCl,454.0
1462,CC(C)c1cc(C(C)C)c(B2c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc3N(c3ccccc3)c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc32)c(C(C)C)c1,C1CCCCC1,410.5442177
1463,CC(C)c1cc(C(C)C)c(B2c3cc(-n4c5ccccc5c5ccccc54)ccc3N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc32)c(C(C)C)c1,C1CCCCC1,400.0
10756,Cc1cc(C)c2c(c1)c1cc(C)cc(C)c1n2-c1ccc2c(c1)B(c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1cc(-n3c4c(C)cc(C)cc4c4cc(C)cc(C)c43)ccc1N2c1ccccc1,C1CCCCC1,395.2380952
15278,c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,ClCCl,400.0
11484,Cc1ccc2nc(-c3cccc4nc(C)[nH]c(=O)c34)oc2c1,CN(C)C=O,310.0
11685,Cc1nc2cccc(-c3nc4ccc(Cl)cc4o3)c2c(=O)[nH]1,CN(C)C=O,310.0
11688,Cc1nc2cccc(-c3nc4ccccc4o3)c2c(=O)[nH]1,CN(C)C=O,310.0
2991,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(N(C)C)cc3)ccc2-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc21,ClCCl,422.0
14877,c1cc2cc3occc3cc2o1,ClCCl,371.0
12083,F[B-]1(F)n2c(c(-c3cccs3)c3c2-c2ccccc2CC3)C=C2C(c3cccs3)=C3CCc4ccccc4C3=[N+]21,CC#N,636.0
2862,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(-c5ccc(OC)cc5)cc4)ccc(c23)C1=O,CN(C)C=O,369.0
2862,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(-c5ccc(OC)cc5)cc4)ccc(c23)C1=O,Cc1ccccc1,364.8
2862,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(-c5ccc(OC)cc5)cc4)ccc(c23)C1=O,ClC(Cl)Cl,364.4
2862,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(-c5ccc(OC)cc5)cc4)ccc(c23)C1=O,CCCCCC,354.0
2862,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(-c5ccc(OC)cc5)cc4)ccc(c23)C1=O,CCCCCCCCCCCCCC,357.6
2862,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(-c5ccc(OC)cc5)cc4)ccc(c23)C1=O,CCCCCCCCCCCO,369.4
2862,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(-c5ccc(OC)cc5)cc4)ccc(c23)C1=O,CCCCO,366.0
14899,c1cc2ccc3ccc4cc3c2cc1c1ccc2ccc3ccc(cc3c2c1)c1ccc2c(c1)c1cc4ccc1[C@]13OCCO[C@]21OCCO3,Cc1ccccc1,366.0
5642,CCCCn1c(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)s2)nc2c3cccnc3c3ncccc3c21,ClCCl,359.0
7760,CN(C)c1cccc(/C=C/c2ncc(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)o2)c1,ClCCl,350.0
14945,c1ccc(-c2cc(-c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1,Cc1ccccc1,368.8811189
2794,CCCCC1(CCCC)c2ccccc2-c2ccc(-n3c4ccsc4c4sc(/C=C(/C#N)C(=O)O)cc43)cc21,C1CCOC1,431.0
2795,CCCCC1(CCCC)c2ccccc2-c2ccc(-n3c4ccsc4c4sc(/C=C(\C#N)C(=O)O)cc43)cc21,C1CCOC1,431.0
12720,N#CC(=Cc1ccc(-c2cnc(-c3ccc(N(c4ccccc4)c4ccccc4)s3)c3nsnc23)s1)C(=O)O,ClCCl,620.0
6825,CCOC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(OC(=O)[C@H](CSCc3ccc(C)cc3)NC(=O)OC(C)(C)C)ccc12,C1CCOC1,431.0
6825,CCOC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(OC(=O)[C@H](CSCc3ccc(C)cc3)NC(=O)OC(C)(C)C)ccc12,CC#N,431.0
6825,CCOC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(OC(=O)[C@H](CSCc3ccc(C)cc3)NC(=O)OC(C)(C)C)ccc12,CCO,435.0
6825,CCOC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(OC(=O)[C@H](CSCc3ccc(C)cc3)NC(=O)OC(C)(C)C)ccc12,CS(C)=O,457.0
8718,COc1cc(C(C)(C)C)c(-n2c3ccccc3c3ccc4cc(-c5ccc(-c6ccc(-c7ccc(/C=C(\C#N)C(=O)O)s7)s6)s5)sc4c32)cc1C(C)(C)C,ClC(Cl)Cl,488.0
313,C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,370.0
13505,O=C(NCc1ccccc1)c1sc(-c2ccc(-c3cc(C4CC4)c(C(=O)NCc4ccccc4)s3)s2)cc1C1CC1,ClCCl,393.0
15010,c1ccc(-c2ccccc2-[n+]2nc3ccccc3c3ccccc32)cc1,ClCCl,425.0
14892,c1cc2ccc3cc4cccc5ccc6cc(c1)c2c3c6c54,ClCCl,433.0
5002,CCCCCCn1c(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1/C=C(\C#N)C(=O)O,ClCCl,487.0
2962,CCCCCCCCC(CCCCCC)Cn1c2c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3sc2c2sc3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc3c21,C1CCOC1,470.0
2701,CCCCC(CC)Cn1c2c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3sc2c2sc3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc3c21,C1CCOC1,471.0
2960,CCCCCCCCC(CCCCCC)Cn1c2c3ccc(-c4ccc(N(c5ccc(OCCCCCC)cc5)c5ccc(OCCCCCC)cc5)cc4)cc3sc2c2sc3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc3c21,C1CCOC1,472.0
6220,CCN(CC)c1ccc2cc(/C=C/c3cc[n+](C(C)CCCCC(=O)O)cc3S(=O)(=O)[O-])c(=O)oc2c1,CCO,522.0
6221,CCN(CC)c1ccc2cc(/C=C/c3cc[n+](CCCCCC(=O)O)cc3)c(=O)oc2c1,CCO,497.0
6273,CCN(CCCCCC(=O)O)c1ccc2cc(/C=C/c3cc[n+](CCCS(=O)(=O)[O-])cc3S(=O)(=O)[O-])c(=O)oc2c1,CCO,526.0
14631,Oc1ccc(/C2=C3\C=CC(=N3)/C(c3ccccc3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccccc2)=C2/C=CC(=N2)/C=4c2ccccc2)c2cccnc12,ClCCl,423.0
10496,Cc1cc(/C=C/c2ccc(-c3cccs3)s2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,596.0
3655,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc3c(c2)Sc2ccccc2N3CCCCCCCC)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccnc(C(=O)O)c1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,ClCCl,447.0
4671,CCCCCC[N+]1=C(/C=C2/C(=O)C(c3cc4c5c(c3)C(C)(C)c3cccc6c3N5c3c(cccc3C4(C)C)C6(C)C)=C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,CC#N,673.0
10138,C[N+]1=C(/C=C2/C(=O)C(c3cc4c5c(c3)C(C)(C)c3cccc6c3N5c3c(cccc3C4(C)C)C6(C)C)=C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,CC#N,643.0
3055,CCCCCCCCCCC1(CCCCCCCCCC)C(/C=C2/C(=O)C(c3cc4c5c(c3)C(C)(C)c3cccc6c3N5c3c(cccc3C4(C)C)C6(C)C)=C2[O-])=[N+](CCCCCC)c2ccc(C(=O)O)cc21,CC#N,674.0
5126,CCCCCCn1c2ccccc2c2cc(C=Cc3ccc(C=C4SC(=S)N(CC(=O)O)C4=O)cc3)ccc21,CCO,460.0
1187,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21,Cc1ccccc1,427.95
12945,N#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21,Cc1ccccc1,402.99
6094,CCN(CC)c1ccc2c(/C=C3/Sc4ccccc4N3C)cc(N(C)CCCC(=O)O)[o+]c2c1,CCO,478.0
6095,CCN(CC)c1ccc2c(/C=C3\Sc4ccccc4N3C)cc(N(C)CCCN(C)C)[o+]c2c1,CCO,477.0
3016,CCCCCCCCC1(CCCCCCCC)c2cc3c(cc2-c2sc(-c4ccc(/C=C5\SC(N6CCCCC6)=NC5=O)c5nsnc45)cc21)C(CCCCCCCC)(CCCCCCCC)c1cc(-c2ccc(/C=C4\SC(N5CCCCC5)=NC4=O)c4nsnc24)sc1-3,ClC(Cl)Cl,606.0
12773,N#CC(=Cc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)C(=O)O,CC#N,424.0
13825,O=C(c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1)c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cn1,Cc1ccccc1,345.0
10484,Cc1cc(/C=C/c2cc3ccccc3o2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,577.0
7534,CN(C)c1ccc(C(=Cc2ccc(-c3ccc(N(c4ccccc4)c4ccc(C=C(C#N)C(=O)O)cc4)cc3)cc2)c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,432.0
6707,CCOC(=O)c1c2c(c3n1CCCn1c(C(=O)OCC)c4c(c1-3)-c1ccc3c5c(ccc-4c15)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O)-c1ccc3c4c(ccc-2c14)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O,CO,489.0
6707,CCOC(=O)c1c2c(c3n1CCCn1c(C(=O)OCC)c4c(c1-3)-c1ccc3c5c(ccc-4c15)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O)-c1ccc3c4c(ccc-2c14)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O,Cc1ccccc1,489.0
6707,CCOC(=O)c1c2c(c3n1CCCn1c(C(=O)OCC)c4c(c1-3)-c1ccc3c5c(ccc-4c15)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O)-c1ccc3c4c(ccc-2c14)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O,ClCCl,489.0
4105,CCCCCCN1c2ccc(C=C(C#N)C(=O)O)cc2Sc2cc(-c3ccc(C=C(c4ccc(N5c6ccccc6Sc6ccccc65)cc4)c4ccc(N5c6ccccc6Sc6ccccc65)cc4)cc3)ccc21,ClCCl,466.0
4070,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(C=C(c4ccc(N5c6ccccc6Sc6ccccc65)cc4)c4ccc(N5c6ccccc6Sc6ccccc65)cc4)cc3)ccc21,ClCCl,466.0
8470,COC1=NC2(C(C#N)=C(N)Oc3ccc4ccccc4c32)C(c2ccc(N(C)C)cc2)=C1C#N,C1CCOC1,416.0
8470,COC1=NC2(C(C#N)=C(N)Oc3ccc4ccccc4c32)C(c2ccc(N(C)C)cc2)=C1C#N,CS(C)=O,434.0
9611,COc1ccc(N(c2ccc(OC)cc2)c2ccc3ccc4c(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc5ccc2c3c54)cc1,C1CCOC1,465.0
9611,COc1ccc(N(c2ccc(OC)cc2)c2ccc3ccc4c(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc5ccc2c3c54)cc1,CC(C)=O,459.0
9611,COc1ccc(N(c2ccc(OC)cc2)c2ccc3ccc4c(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc5ccc2c3c54)cc1,CCCCCC,463.0
9611,COc1ccc(N(c2ccc(OC)cc2)c2ccc3ccc4c(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc5ccc2c3c54)cc1,Cc1ccccc1,469.0
9611,COc1ccc(N(c2ccc(OC)cc2)c2ccc3ccc4c(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc5ccc2c3c54)cc1,ClC(Cl)Cl,461.0
9611,COc1ccc(N(c2ccc(OC)cc2)c2ccc3ccc4c(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc5ccc2c3c54)cc1,ClCCl,461.0
5584,CCCCc1cc(-c2cccc(COC)c2)oc1-c1cccc(-c2cc(CCCC)c(-c3cccc(-c4cc(CCCC)c(-c5cccc(-c6oc(-c7cccc(-c8oc(-c9cccc(-c%10oc(-c%11cccc(COC)c%11)cc%10CCCC)c9)cc8CCCC)c7)cc6CCCC)c5)o4)c3)o2)c1,ClC(Cl)Cl,337.0
4170,CCCCCCOc1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)oc2c(OCCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)oc12,C1CCOC1,485.0
1390,CC(C)[Si](C#Cc1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)oc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)oc12)(C(C)C)C(C)C,C1CCOC1,483.0
124,C(#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccccc1,ClC(Cl)Cl,326.0
124,C(#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccccc1,ClCCl,326.0
1225,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccccc2)cc1,CC#N,329.0
1225,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccccc2)cc1,CCCCC,329.0
1225,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccccc2)cc1,CO,329.0
1225,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccccc2)cc1,Cc1ccccc1,335.0
1225,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccccc2)cc1,ClC(Cl)Cl,329.0
1225,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccccc2)cc1,ClCCl,334.0
12746,N#CC(=Cc1ccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)C(=O)O,ClC(Cl)Cl,375.0
1217,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccc(C=C(C#N)C#N)cc2)cc1,CC#N,346.0
1217,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccc(C=C(C#N)C#N)cc2)cc1,CCCCC,345.0
1217,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccc(C=C(C#N)C#N)cc2)cc1,Cc1ccccc1,348.0
1217,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccc(C=C(C#N)C#N)cc2)cc1,ClCCl,410.0
1218,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccc(C=O)cc2)cc1,ClCCl,354.0
124,C(#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccccc1,CC#N,324.0
124,C(#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccccc1,CCCCC,323.0
124,C(#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccccc1,CO,322.0
124,C(#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccccc1,Cc1ccccc1,329.0
5806,CCCN1c2ccccc2Sc2cc(/C=C\c3cc(=O)oc4c(O)c(O)ccc34)ccc21,ClC(Cl)Cl,427.0
5807,CCCN1c2ccccc2Sc2cc(/C=C\c3cc(=O)oc4cc(C)c(Cl)cc34)ccc21,ClC(Cl)Cl,432.0
5808,CCCN1c2ccccc2Sc2cc(/C=C\c3cc(=O)oc4cc(C)ccc34)ccc21,ClC(Cl)Cl,424.0
5809,CCCN1c2ccccc2Sc2cc(/C=C\c3cc(=O)oc4cc(NC(=O)OCC)ccc34)ccc21,ClC(Cl)Cl,422.0
5810,CCCN1c2ccccc2Sc2cc(/C=C\c3cc(=O)oc4cc(O)ccc34)ccc21,ClC(Cl)Cl,422.0
5811,CCCN1c2ccccc2Sc2cc(/C=C\c3cc(=O)oc4ccc(C)cc34)ccc21,ClC(Cl)Cl,423.0
5812,CCCN1c2ccccc2Sc2cc(/C=C\c3cc(=O)oc4ccccc34)ccc21,ClC(Cl)Cl,424.0
5415,CCCCN1c2ccccc2Sc2cc(/C=C\c3cc(=O)oc4cc(C)ccc34)ccc21,ClC(Cl)Cl,424.0
5416,CCCCN1c2ccccc2Sc2cc(/C=C\c3cc(=O)oc4ccc(C)cc34)ccc21,ClC(Cl)Cl,423.0
15203,c1ccc(C2(c3ccccc3)c3ccccc3N(c3ccc(-c4nc([C@]56CC7CC(C[C@@H](C7)C5)C6)nc([C@]56C[C@@H]7C[C@H](C[C@H](C7)C5)C6)n4)cc3)c3ccccc32)cc1,Cc1ccccc1,367.0157068
3067,CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(/C=C(/C#N)C(=O)O)sc2-c2sc(-c3ccc4c(c3)c3ccccc3n4CCCC)cc21,ClCCl,532.0
2754,CCCCC(CC)Cn1nc2c(/C=C(\C#N)C(=O)O)ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2n1,C1CCOC1,430.0
1195,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2cc3c(s2)-c2sc(/C=C(\C#N)C(=O)O)cc2C3(C)C)s1,C1CCOC1,490.0
3728,CCCCCCCCc1cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)sc1-c1cc2c(s1)-c1sc(/C=C(\C#N)C(=O)O)cc1C2(C)C,C1CCOC1,485.0
968,CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[B-]1(c3ccc([B-]45OC(c6ccccc6)=N[N+]4=Cc4cc(C(C)(C)C)cc(C(C)(C)C)c4O5)cc3)OC(c3ccccc3)=N[N+]1=C2,C1CCOC1,455.0
1223,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccc3c4ccc(C#Cc5ccc(C=O)cc5)cc4n(-c4ccc(C(F)(F)F)cc4)c3c2)cc1,ClCCl,377.0
1220,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccc3c4ccc(C#Cc5ccc(/C=C(/C#N)C(=O)O)cc5)cc4n(-c4ccc(C(F)(F)F)cc4)c3c2)cc1,ClCCl,386.0
1221,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccc3c4ccc(C#Cc5ccc(C=C(C#N)C#N)cc5)cc4n(-c4ccc(C(F)(F)F)cc4)c3c2)cc1,ClCCl,355.0
1222,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccc3c4ccc(C#Cc5ccc(C=C(C#N)C(=O)O)cc5)cc4n(-c4ccc(C(F)(F)F)cc4)c3c2)cc1,ClCCl,385.0
12061,F[B-]1(F)n2c(-c3ccccc3)cc(-c3ccccc3)c2C(c2ccccc2)=C2C(c3ccccc3)=CC(c3ccccc3)=[N+]21,C1CCOC1,561.0
14860,c1cc2c3c(cccc3c1)C(N1CCOCCNCCOCCOCC1)=N2,CC#N,427.0
14637,Oc1ccc(C2=[N+]3C(=C(c4ccccc4)c4cccn4[B-]3(F)F)C=C2)cc1,ClC(Cl)Cl,541.0
11151,Cc1ccc(C2=C3C=CC(c4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,C1CCCCC1,530.0
11151,Cc1ccc(C2=C3C=CC(c4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,C1CCOC1,530.0
11151,Cc1ccc(C2=C3C=CC(c4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,C1COCCO1,531.0
11151,Cc1ccc(C2=C3C=CC(c4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,CCOC(C)=O,527.0
11151,Cc1ccc(C2=C3C=CC(c4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,CO,525.0
11151,Cc1ccc(C2=C3C=CC(c4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,Cc1ccccc1,534.0
11151,Cc1ccc(C2=C3C=CC(c4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,ClC(Cl)Cl,532.0
14679,Oc1cccc(C2=[N+]3C(=C(c4ccccc4)c4cccn4[B-]3(F)F)C=C2)c1,ClC(Cl)Cl,531.0
9837,COc1ccc2n1[B-](F)(F)[N+]1=C(c3ccccc3)C=CC1=C2c1ccc(C)cc1,C1CCCCC1,532.0
9837,COc1ccc2n1[B-](F)(F)[N+]1=C(c3ccccc3)C=CC1=C2c1ccc(C)cc1,C1CCOC1,528.0
9837,COc1ccc2n1[B-](F)(F)[N+]1=C(c3ccccc3)C=CC1=C2c1ccc(C)cc1,C1COCCO1,529.0
9837,COc1ccc2n1[B-](F)(F)[N+]1=C(c3ccccc3)C=CC1=C2c1ccc(C)cc1,CCOC(C)=O,526.0
9837,COc1ccc2n1[B-](F)(F)[N+]1=C(c3ccccc3)C=CC1=C2c1ccc(C)cc1,CO,523.0
9837,COc1ccc2n1[B-](F)(F)[N+]1=C(c3ccccc3)C=CC1=C2c1ccc(C)cc1,Cc1ccccc1,534.0
9837,COc1ccc2n1[B-](F)(F)[N+]1=C(c3ccccc3)C=CC1=C2c1ccc(C)cc1,ClC(Cl)Cl,530.0
11642,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,C1COCCO1,342.0
11642,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,CC#N,340.0
11642,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,CCCCO,350.0
11642,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,CCCO,350.0
11642,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,CCO,349.0
11642,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,CCOC(C)=O,343.0
11642,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,CO,346.0
11643,Cc1cnc(NC(=O)C2=C([O-])c3ccccc3S(=O)(=O)N2C)s1,CC#N,371.0
11643,Cc1cnc(NC(=O)C2=C([O-])c3ccccc3S(=O)(=O)N2C)s1,CCCCO,369.0
11643,Cc1cnc(NC(=O)C2=C([O-])c3ccccc3S(=O)(=O)N2C)s1,CCCO,368.0
11643,Cc1cnc(NC(=O)C2=C([O-])c3ccccc3S(=O)(=O)N2C)s1,CCO,366.0
11643,Cc1cnc(NC(=O)C2=C([O-])c3ccccc3S(=O)(=O)N2C)s1,CO,364.0
2361,CCC1(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(/C=C(\C#N)C(=O)O)cc3)cc21,ClCCl,447.0
10094,C[C@H]1CC(C)(C)N(C)c2ccc(/C=C/c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc21,CCO,472.0
2186,CC1CC(C)(C)N(C)c2ccc(C=Cc3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)cc21,CCO,472.0
12942,N#Cc1c(-n2c3ccccc3c3cc(I)ccc32)c(C#N)c(-n2c3ccccc3c3cc(I)ccc32)c(-n2c3ccccc3c3cc(I)ccc32)c1-n1c2ccccc2c2cc(I)ccc21,Cc1ccccc1,383.0
12948,N#Cc1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21,Cc1ccccc1,375.0
12935,N#Cc1c(-n2c3ccc(Br)cc3c3cc(Br)ccc32)c(C#N)c(-n2c3ccc(Br)cc3c3cc(Br)ccc32)c(-n2c3ccc(Br)cc3c3cc(Br)ccc32)c1-n1c2ccc(Br)cc2c2cc(Br)ccc21,Cc1ccccc1,374.0
12936,N#Cc1c(-n2c3ccc(Cl)cc3c3cc(Cl)ccc32)c(C#N)c(-n2c3ccc(Cl)cc3c3cc(Cl)ccc32)c(-n2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1-n1c2ccc(Cl)cc2c2cc(Cl)ccc21,Cc1ccccc1,384.0
12938,N#Cc1c(-n2c3ccc(I)cc3c3cc(I)ccc32)c(C#N)c(-n2c3ccc(I)cc3c3cc(I)ccc32)c(-n2c3ccc(I)cc3c3cc(I)ccc32)c1-n1c2ccc(I)cc2c2cc(I)ccc21,Cc1ccccc1,384.0
12940,N#Cc1c(-n2c3ccccc3c3cc(Br)ccc32)c(C#N)c(-n2c3ccccc3c3cc(Br)ccc32)c(-n2c3ccccc3c3cc(Br)ccc32)c1-n1c2ccccc2c2cc(Br)ccc21,Cc1ccccc1,381.0
14242,O=S(=O)(c1cccc(-n2c3ccccc3c3ccccc32)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1,ClC(Cl)Cl,338.0
14242,O=S(=O)(c1cccc(-n2c3ccccc3c3ccccc32)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1,C1CCOC1,323.0
14242,O=S(=O)(c1cccc(-n2c3ccccc3c3ccccc32)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1,Cc1ccccc1,338.0
4658,CCCCCCSC1=C(SCCCCCC)SC(C2c3ccccc3C(C3SC(SCCCCCC)=C(SCCCCCC)S3)c3cc(-c4ccc(C=C(C#N)C(=O)O)cc4)ccc32)S1,CN(C)C=O,445.0
4230,CCCCCCOc1ccc(-c2c3ccc(-c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)s4)cc3c(-c3ccc(OCCCCCC)cc3)c3ccc(-c4ccc(N(c5ccc(OCCCCCC)cc5)c5ccc(OCCCCCC)cc5)cc4)cc23)cc1,ClCCl,490.0
14618,Oc1ccc(-c2c3nc(c(-c4ccc(O)cc4)c4ccc([nH]4)c(-c4ccc(O)cc4)c4nc(c(-c5ccc(O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,CN(C)C=O,653.0
464,C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1,CC(=O)N(C)C,646.0
464,C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1,ClCCl,646.0
13509,O=C(Nc1ccc(-c2c3nc(c(-c4ccc(NC(=O)C(F)(F)F)cc4)c4ccc([nH]4)c(-c4ccc(NC(=O)C(F)(F)F)cc4)c4nc(c(-c5ccc(NC(=O)C(F)(F)F)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(F)(F)F,CN(C)C=O,649.0
13511,O=C(Nc1cccc(-c2c3nc(c(-c4cccc(NC(=O)C(F)(F)F)c4)c4ccc([nH]4)c(-c4cccc(NC(=O)C(F)(F)F)c4)c4nc(c(-c5cccc(NC(=O)C(F)(F)F)c5)c5ccc2[nH]5)C=C4)C=C3)c1)C(F)(F)F,CN(C)C=O,646.0
13318,Nc1ccc(-c2c3nc(c(-c4ccc(N)cc4)c4ccc([nH]4)c(-c4ccc(N)cc4)c4nc(c(-c5ccc(N)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,CN(C)C=O,670.0
13697,O=C(O)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1,ClC(Cl)Cl,646.0
14675,Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc(c(-c5cccc(O)c5)c5ccc2[nH]5)C=C4)C=C3)c1,CN(C)C=O,647.0
13417,Nc1cccc(-c2c3nc(c(-c4cccc(N)c4)c4ccc([nH]4)c(-c4cccc(N)c4)c4nc(c(-c5cccc(N)c5)c5ccc2[nH]5)C=C4)C=C3)c1,CN(C)C=O,649.0
10910,Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)O)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,ClC(Cl)Cl,648.0
10911,Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,ClCCl,417.0
10018,CS(=O)(=O)Nc1ccc(-c2c3nc(c(-c4ccc(NS(C)(=O)=O)cc4)c4ccc([nH]4)c(-c4ccc(NS(C)(=O)=O)cc4)c4nc(c(-c5ccc(NS(C)(=O)=O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,CN(C)C=O,650.0
10019,CS(=O)(=O)Nc1cccc(-c2c3nc(c(-c4cccc(NS(C)(=O)=O)c4)c4ccc([nH]4)c(-c4cccc(NS(C)(=O)=O)c4)c4nc(c(-c5cccc(NS(C)(=O)=O)c5)c5ccc2[nH]5)C=C4)C=C3)c1,CN(C)C=O,647.0
6159,CCN(CC)c1ccc2c(c1)oc(=O)c1c(=O)oc3cc(C#Cc4ccc(C#N)cc4)ccc3c12,ClCCl,476.0
6160,CCN(CC)c1ccc2c(c1)oc(=O)c1c(=O)oc3cc(C#Cc4ccc(N(C)C)cc4)ccc3c12,CS(C)=O,468.0
6160,CCN(CC)c1ccc2c(c1)oc(=O)c1c(=O)oc3cc(C#Cc4ccc(N(C)C)cc4)ccc3c12,ClCCl,459.0
6159,CCN(CC)c1ccc2c(c1)oc(=O)c1c(=O)oc3cc(C#Cc4ccc(C#N)cc4)ccc3c12,CS(C)=O,481.0
7784,CN(CC(O)c1cccc(O)c1)c1ccc([N+](=O)[O-])c(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)c1,CO,409.0
7784,CN(CC(O)c1cccc(O)c1)c1ccc([N+](=O)[O-])c(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)c1,Cc1ccccc1,414.0
7784,CN(CC(O)c1cccc(O)c1)c1ccc([N+](=O)[O-])c(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)c1,ClC(Cl)Cl,369.0
7784,CN(CC(O)c1cccc(O)c1)c1ccc([N+](=O)[O-])c(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)c1,O,406.0
7784,CN(CC(O)c1cccc(O)c1)c1ccc([N+](=O)[O-])c(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)c1,C1CCCCC1,400.0
7784,CN(CC(O)c1cccc(O)c1)c1ccc([N+](=O)[O-])c(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)c1,C1CCOC1,411.0
7784,CN(CC(O)c1cccc(O)c1)c1ccc([N+](=O)[O-])c(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)c1,C1COCCO1,396.0
7784,CN(CC(O)c1cccc(O)c1)c1ccc([N+](=O)[O-])c(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)c1,CC#N,402.0
7784,CN(CC(O)c1cccc(O)c1)c1ccc([N+](=O)[O-])c(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)c1,CC(C)O,412.0
7784,CN(CC(O)c1cccc(O)c1)c1ccc([N+](=O)[O-])c(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)c1,CCOC(C)=O,418.0
7784,CN(CC(O)c1cccc(O)c1)c1ccc([N+](=O)[O-])c(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)c1,CCOCC,405.0
13439,Nc1cnccn1,CS(C)=O,321.0
15250,c1ccc(N(c2ccccc2)c2ccc(-c3cc4cc5oc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5cc4o3)cc2)cc1,ClCCl,376.0
7345,CN(C)c1ccc(-c2cnc(-c3ccc(S(=O)(=O)NCCC(=O)ON4C(=O)C=CC4=O)cc3)o2)cc1,CO,373.0
1761,CC1(C)c2ccccc2-c2cc3c(cc21)N(c1ccc(-c2nc(-c4ccc(N5c6ccccc6C(c6ccccc6)(c6ccccc6)c6cc7c(cc65)C(C)(C)c5ccccc5-7)cc4)nc(-c4ccc(N5c6ccccc6C(c6ccccc6)(c6ccccc6)c6cc7c(cc65)C(C)(C)c5ccccc5-7)cc4)n2)cc1)c1ccccc1C3(c1ccccc1)c1ccccc1,Cc1ccccc1,321.0
4790,CCCCCCc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc3c(c2)C(C)(C)c2ccccc2-3)sc1C=C1C(=O)c2cc(C(=O)O)ccc2C1=C(C#N)C#N,ClC(Cl)Cl,709.0
4688,CCCCCCc1c(/C=C(/C#N)C(=O)O)sc2c(CCCCCC)c(/C=C/c3sc4c(CCCCCC)c(-c5cc6ccc(N(c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6s5)sc4c3CCCCCC)sc12,C1CCOC1,490.0
7251,CN(/N=C1\N=C(N)C2(CCCC2)c2ccccc21)c1ccccc1,ClCCl,378.0
7388,CN(C)c1ccc(-n2c(-c3ccncc3)nc3nccnc32)cc1,CC#N,309.0
9746,COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccc(OC)cc4c4cc(OC)ccc43)cc2)cc1,Cc1ccccc1,369.6920583
1401,CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3ccccc3nc12)(C(C)C)C(C)C,ClCCl,697.0
1401,CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3ccccc3nc12)(C(C)C)C(C)C,CCCCCC,693.0
1519,CC(C)n1nc(CCC(=O)c2ccc3cc(N(C)C)ccc3c2)c2c(N)ncnc21,Cc1ccccc1,360.0
1519,CC(C)n1nc(CCC(=O)c2ccc3cc(N(C)C)ccc3c2)c2c(N)ncnc21,O,375.0
1519,CC(C)n1nc(CCC(=O)c2ccc3cc(N(C)C)ccc3c2)c2c(N)ncnc21,CC#N,360.0
5914,CCN(CC)C1C=c2[o+]c(C(C)(C)C)cc(/C=C/C=C/C=C3\N(CCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)CCCC(=O)O)c2=CC1,CCO,736.0
4195,CCCCCCOc1cc(/C=C/c2cc(OCCCCCC)c(/C=C/c3cc(OCCCCCC)c(C=C4C(=O)c5ccccc5C4=O)cc3OCCCCCC)cc2OCCCCCC)c(OCCCCCC)cc1C=C1C(=O)c2ccccc2C1=O,ClCCl,550.0
8518,COCCOCCOCCOCC(COCCOCCOCCOC)Oc1cc(/C=C/c2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)c(OC(COCCOCCOCCOC)COCCOCCOCCOC)cc1/C=C/c1ccc(C=C2C(=O)c3ccccc3C2=O)cc1,ClCCl,489.0
4579,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(C3=C4C(=O)N(C[C@@H](CC)CCCC)C(c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)s5)=C4C(=O)N3C[C@@H](CC)CCCC)cc2)cc1,C1CCOC1,620.0
5700,CCCCn1c2cc(-c3ccc(C4=[N+]5C(C=C4)C(c4ccc(/C=C(\C#N)c6ccncc6)s4)c4ccc(-c6ccc(-c7ccc8c9ccc(N(c%10ccccc%10)c%10ccccc%10)cc9n(CCCC)c8c7)s6)n4[B-]5(F)F)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,753.0
4237,CCCCCCOc1ccc(-c2cc3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc4c3n2-c2ccccc2S4)cc1,ClCCl,400.0
5480,CCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)cc2)c(OCCCC)c1,ClCCl,504.0
1024,CC(C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)cc3)c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)cc2)cc1,ClCCl,470.0
12457,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(-c4cccs4)cc3)c3ccc(-c4cccs4)cc3)cc2)cc1)C(=O)O,ClC(Cl)Cl,425.0
14142,O=Cc1ccc(C#CC(C#Cc2ccc(C=O)o2)=Cc2ccc(C=C(C#Cc3ccc(C=O)o3)C#Cc3ccc(C=O)o3)s2)o1,ClC(Cl)Cl,516.0
8647,COc1cc(-c2cc(N3CCCCC3)c(C#N)c3c2-c2cccc4cccc-3c24)cc(OC)c1OC,O,430.0
12996,N#Cc1c(N2CCCCC2)cc(-c2ccc(O)cc2)c2c1-c1cccc3cccc-2c13,O,432.0
8985,COc1ccc(-c2cc(N3CCCCC3)c(C#N)c3c2-c2cccc4cccc-3c24)cc1,O,430.0
2567,CCCCC(CC)CN1C(=O)/C(=C2/C(=O)N(CC(CC)CCCC)c3cc(-c4ccc(/C=C(\C#N)C(=O)O)o4)ccc32)c2ccc(-c3ccc4c(c3)C3CCCC3N4c3ccc(C)cc3)cc21,ClCCl,579.0
5538,CCCC[C@H](CC)CN1C(=O)/C(=C2/C(=O)N(C[C@H](CC)CCCC)c3cc(-c4ccc(/C=C(\C#N)C(=O)O)o4)ccc32)c2ccc(-c3ccc4c(c3)[C@@H]3CCC[C@@H]3N4c3ccc(C)cc3)cc21,ClCCl,579.0
4300,CCCCCCOc1ccc(-n2c3cc(/C=C(\C#N)C(=O)O)sc3c3sc(-c4ccc(N(c5ccc6ccsc6c5)c5ccc6ccsc6c5)cc4)cc32)c(OCCCCCC)c1,ClCCl,523.0
668,CC(=O)c1c2c(cc3ccc(Nc4ccccc4)cc13)CCC2,ClCCl,367.0
9644,COc1ccc(Nc2ccc3cc4c(c(C(C)=O)c3c2)CCC4)cc1,ClCCl,372.0
3365,CCCCCC[n+]4c(C=c3c([O-])c(C=C2N(CC)c1cc(C(=O)O)ccc1C2(C)C)c3=O)c6cccc5cccc4c56,CCO,676.0
14179,O=P(c1ccccc1)(c1ccccc1)n1c2ccccc2c2ccccc21,C1CCOC1,319.0
7325,CN(C)c1ccc(-c2ccc(/C=C(\C#N)c3ccc(/C=C4\SC(=S)N(CC(=O)O)C4=O)s3)cc2)cc1,CN(C)C=O,488.0
1623,CC1(C)C2=[N+](CCCCCC(=O)NCNC(=O)CCCCCN3/C(=C/C=C/C=C/C=C/2)C(C)(C)c2cc(S(=O)(=O)[O-])ccc23)c2ccc(S(=O)(=O)[O-])cc21,CO,754.0
4121,CCCCCCN1c2ccccc2Sc2cc(-c3cc(-c4sc(/C=C(/C#N)C(=O)O)cc4-c4ccc5c(c4)Sc4ccccc4N5CCCCCC)sc3-c3ccc4c(c3)Sc3ccccc3N4CCCCCC)ccc21,ClCCl,487.0
4122,CCCCCCN1c2ccccc2Sc2cc(-c3cc(-c4sc(/C=C(\C#N)C(=O)O)cc4-c4ccc5c(c4)Sc4ccccc4N5CCCCCC)sc3-c3ccc4c(c3)Sc3ccccc3N4CCCCCC)ccc21,ClCCl,425.0
1829,CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc(C=C(C#N)C(=O)O)cc5)ccc3-4)cc21,CCO,410.0
14977,c1ccc(-c2cc3ncc4cccc2n43)cc1,CO,450.0
5597,CCCCc1ccc(-c2ccc(N(c3ccc(-c4ccc(CCCC)cc4)cc3)c3ccc(-c4ccc(C5=C6C(=O)N(CC(CC)CCCC)C(c7ccc(-c8ccc(/C=C(\C#N)C(=O)O)cc8)s7)=C6C(=O)N5CC(CC)CCCC)s4)cc3)cc2)cc1,ClCCl,606.0
5030,CCCCCCn1c2c(c3cc(C#Cc4ccc(-c5ccc(C(=O)O)cc5)c5nsnc45)ccc31)C(CCCCCC)(CCCCCC)c1ccccc1-2,ClCCl,468.0
4067,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(/C=C/c4ccccc4)cc3)ccc21,ClCCl,471.0
4107,CCCCCCN1c2ccc(C=C(C#N)C(=O)O)cc2Sc2cc(-c3ccc(C=Cc4ccccc4)cc3)ccc21,ClCCl,471.0
15512,c1ccc2nc3c(nc2c1)c1ccccc1c1nc2ccccc2n13,CC#N,396.0
11476,Cc1ccc2ccccc2c1/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2,CS(C)=O,546.0
8887,COc1cc2ccccc2c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1OC,CS(C)=O,565.0
10512,Cc1cc(/C=C/c2ccc(C)c3ccccc23)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,567.0
10578,Cc1cc(/C=C/c2cccc3ccccc23)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,564.0
9834,COc1ccc2ccccc2c1/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2,CS(C)=O,575.0
10526,Cc1cc(/C=C/c2ccc(N(C)C)c3ccccc23)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,582.0
10532,Cc1cc(/C=C/c2ccc(O)c3ccccc23)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,586.0
2094,CC1=CC(C)=[N+]2C1=Cc1ccc(/C=C/c3cccc4ccccc34)n1[B-]2(F)F,CO,567.0
9271,COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c2ccccc12,CS(C)=O,575.0
2323,CCC1(CC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(/C=C\C(c4ccc(N(C)C)cc4)c4ccc(N(C)C)cc4)cc3)cc21,ClC(Cl)Cl,521.0
3798,CCCCCCCCn1c(=O)c2cc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3cc2c1=O,ClC(Cl)Cl,479.0
11936,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1nnc(Cl)nn1,ClCCl,519.0
11936,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1nnc(Cl)nn1,OCC(F)(F)F,509.0
525,C=CCOc1nnc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1,ClCCl,526.0
525,C=CCOc1nnc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1,OCC(F)(F)F,512.0
526,C=CCOc1nnc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1,ClCCl,526.0
526,C=CCOc1nnc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1,OCC(F)(F)F,512.0
11937,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1nnc(Cl)nn1,ClCCl,519.0
11937,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1nnc(Cl)nn1,OCC(F)(F)F,519.0
10017,COc1nnc(Cl)nn1,ClCCl,520.0
10017,COc1nnc(Cl)nn1,OCC(F)(F)F,518.0
445,C1=Cc2cc3ccccc3cc2N2C=Cc3cc4ccccc4cc3B12,ClCCl,416.0
15223,c1ccc(C2c3ccccc3-c3cc4c(cc32)-c2ccccc2C4c2ccccc2)cc1,ClCCl,328.0
4700,CCCCCCc1c(C=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)sc2c(CCCCCC)c(/C=C(\C#N)C(=O)O)sc12,ClCCl,574.0
12366,N#C/C(=C\c1cc2sc(C=C3C=C(c4ccccc4)OC(c4ccccc4)=C3)cc2s1)C(=O)O,ClCCl,551.0
12328,N#C/C(=C\C=C\c1cc2sc(C=C3C=C(c4ccccc4)OC(c4ccccc4)=C3)cc2s1)C(=O)O,ClCCl,583.0
11992,FC(F)(F)c1ccc2oc3nc4oc5ccc(N(c6ccccc6)c6ccccc6)cc5c4cc3c2c1,ClC(Cl)Cl,345.0
1300,CC(C)(C)c1ccc2oc3nc4oc5ccc(N(c6ccccc6)c6ccccc6)cc5c4cc3c2c1,ClC(Cl)Cl,342.0
13895,O=C1C2=C3c4ccsc4C=CN3C(=O)C2=C2c3ccsc3C=CN12,ClC(Cl)Cl,575.0
13895,O=C1C2=C3c4ccsc4C=CN3C(=O)C2=C2c3ccsc3C=CN12,CN(C)C=O,575.0
5116,CCCCCCn1c2ccccc2c2cc(/C=C(/C#N)c3ccc(/C=C4/SC(=S)N(CC(=O)O)C4=O)s3)ccc21,ClC(Cl)Cl,504.0
4692,CCCCCCc1c(C#C/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3ccc(N(c5ccccc5)c5ccccc5)cc3)=C3/C=CC(=N3)/C=4c3ccc(N(c4ccccc4)c4ccccc4)cc3)/C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)=C3/C=CC2=N3)sc(/C=C(\C#N)C(=O)O)c1CCCCCC,C1CCOC1,662.0
4638,CCCCCCSC1=C(SCCCCCC)SC(=Cc2ccc(-c3ccc(-c4ccc5c(c4)N(CCCC)c4cc(/C=C(\C#N)C(=O)O)ccc4S5)cc3)cc2)S1,C1CCOC1,382.0
3817,CCCCCCCCn1c2ccc(/C=C(/C#N)C(=O)O)cc2c2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)c5cc(/C=C(/C#N)C(=O)O)ccc5n6CCCCCCC)cc4)c4ccc(/C=C/c5ccc6c(c5)c5cc(/C=C(\C#N)C(=O)O)ccc5n6CCCCCCC)cc4)cc3)ccc21,ClCCl,405.0
2123,CC1=NN(c2cccc3ccccc23)[B-](F)(F)[n+]2ccccc21,ClCCl,432.0
1929,CC1=C(C#Cc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)C(C)=[N+]2C1=C(c1ccccc1)c1c(C)c(C#Cc3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c(C)n1[B-]2(F)F,ClCCl,575.0
12872,N#CC(C#N)=Cc1nc2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2s1,Cc1ccccc1,494.0
141,C(#Cc1ccc2ncsc2c1)c1ccc(N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,365.0
14162,O=Cc1nc2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2s1,Cc1ccccc1,412.0
15404,c1ccc2c(c1)Nc1ccccc1B2c1c2ccccc2cc2ccccc12,ClCCl,394.0
15404,c1ccc2c(c1)Nc1ccccc1B2c1c2ccccc2cc2ccccc12,c1ccccc1,394.0
15308,c1ccc(N2c3ccc4ccccc4c3-c3c4ccccc4cn[n+]3[B-]2(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,524.0
5244,CCCCN(CCCC)c1ccc(-c2c([O-])[c+](-c3ccc(N(C)CCOC(=O)CCc4cc(=C(C#N)C#N)ccc4=C(C#N)C#N)cc3)[c+]2[O-])cc1,ClC(Cl)Cl,633.0
2879,CCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6cc(-n8c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)ccc98)ccc6-7)s5)c5nsnc45)s3)ccc2-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc21,ClCCl,514.0
2553,CCCCB1C=Cc2cc3cc4ccccc4cc3cc2N1,ClCCl,427.0
9095,COc1ccc(-c2csc(-c3ccncc3)n2)cc1,CC#N,394.0
9095,COc1ccc(-c2csc(-c3ccncc3)n2)cc1,CCO,340.0
9095,COc1ccc(-c2csc(-c3ccncc3)n2)cc1,CN(C)C=O,340.0
9095,COc1ccc(-c2csc(-c3ccncc3)n2)cc1,CS(C)=O,341.0
9095,COc1ccc(-c2csc(-c3ccncc3)n2)cc1,Cc1ccccc1,340.0
9095,COc1ccc(-c2csc(-c3ccncc3)n2)cc1,ClCCl,401.0
15024,c1ccc(-c2csc(-c3ccncc3)n2)cc1,CC#N,370.0
15024,c1ccc(-c2csc(-c3ccncc3)n2)cc1,CCO,325.0
15024,c1ccc(-c2csc(-c3ccncc3)n2)cc1,CN(C)C=O,323.0
15024,c1ccc(-c2csc(-c3ccncc3)n2)cc1,CS(C)=O,325.0
15024,c1ccc(-c2csc(-c3ccncc3)n2)cc1,ClCCl,376.0
5194,CCCCCc1c(Oc2cc(O)cc(CCC(=O)CC)c2C(=O)OC)c(OC)cc(O)c1C(=O)O,ClC(Cl)Cl,312.0
5195,CCCCCc1cc(O)cc(Oc2c(OC)cc(O)c(C(=O)O)c2CCCCC)c1C(=O)OC,ClC(Cl)Cl,312.0
13592,O=C(O)CN1/C(=C/C2=C([O-])/C(=C/c3[se]c4ccccc4[n+]3CC(=O)O)C2=O)[Se]c2ccccc21,CO,685.0
6346,CCN1C(=CC2=C([O-])C(=Cc3[se]c4ccccc4[n+]3CC)C2=O)[Se]c2ccccc21,ClC(Cl)Cl,684.0
6346,CCN1C(=CC2=C([O-])C(=Cc3[se]c4ccccc4[n+]3CC)C2=O)[Se]c2ccccc21,ClCCl,686.0
6346,CCN1C(=CC2=C([O-])C(=Cc3[se]c4ccccc4[n+]3CC)C2=O)[Se]c2ccccc21,CO,665.0
12075,F[B-]1(F)n2c(Nc3cccc4cccnc34)ccc2C(c2ccccc2)=C2C=CC(Cl)=[N+]21,ClC(Cl)Cl,555.0
12075,F[B-]1(F)n2c(Nc3cccc4cccnc34)ccc2C(c2ccccc2)=C2C=CC(Cl)=[N+]21,C1CCCCC1,560.0
12075,F[B-]1(F)n2c(Nc3cccc4cccnc34)ccc2C(c2ccccc2)=C2C=CC(Cl)=[N+]21,CC#N,547.0
12075,F[B-]1(F)n2c(Nc3cccc4cccnc34)ccc2C(c2ccccc2)=C2C=CC(Cl)=[N+]21,Cc1ccccc1,561.0
6994,CC[N+]1=c2cc3c(cc2CC1)=Cc1ccc(N(C)C)cc1C3(C)C,CCO,617.0
12136,F[B-]1(F)n2cccc2C(c2ccccc2)=C2C=CC(c3cccc(OC4=[N+]5C(=C(c6ccccc6)c6cc(Br)c(Br)n6[B-]5(F)F)C=C4Br)c3)=[N+]21,ClC(Cl)Cl,556.0
13749,O=C(O)c1ccc(N=CC=C(Cl)c2ccc3c(c2)c2cc(C(Cl)=CC=Nc4ccc(C(=O)O)c(O)c4)ccc2n3-c2ccccc2)cc1O,CN(C)C=O,430.0
7706,CN(C)c1ccc2c(c1)[Ge](C)(C)C1=CC(=[N+](C)C)C=CC1=C2,O,621.0
7707,CN(C)c1ccc2c(c1)[Ge](C)(C)C1=CC(=[N+](C)C)C=CC1=C2CCCCCCNC(=O)OC(C)(C)C,O,454.0
12381,N#C/C(=C\c1ccc(-c2cc3cc(N4c5ccccc5C5CCCC54)ccc3oc2=O)s1)C(=O)O,CN(C)C=O,394.0
11122,Cc1ccc(C2=C(/C=C/C(=O)OC3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5CC[C@@H]4[C@H](C)CCCC(C)C)C3)C(c3ccc(C)cc3)=[N+]3C2=Nc2c(-c4ccc(C)cc4)c(Br)c(-c4ccc(C)cc4)n2[B-]3(F)F)cc1,ClC(Cl)Cl,662.0
13493,O=C(Cc1ccccc1)OCc1ccc2c3cccc4cccc(c5cccc1c52)c43,CCO,438.0
14669,Oc1ccc2ccccc2c1/C=N/c1cc2ccccc2cc1/N=C/c1c(O)ccc2ccccc12,CC#N,474.0
543,C=Cc1cc2ccc(OC(=O)c3ccccc3)cc2oc1=O,CC#N,328.0
15028,c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)c(-c7ccccc7)o6)cc5)cc4)cc3)oc2-c2ccccc2)cc1,C1COCCO1,352.0
5111,CCCCCCn1c2ccccc2c2cc(-c3ccc4c(c3)c3nc5cc(-c6ccc(/C=C(\C#N)C(=O)O)s6)ccc5nc3n4CC)ccc21,CN(C)C=O,416.0
4392,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc(CCCCCC)c(-c4cc5c(s4)c4sc6c(CCCCCC)c(/C=C(\C#N)C(=O)O)sc6c4n5-c4ccc(OCCCCCC)cc4)s3)cc2)cc1,ClCCl,510.0
13834,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2ccc(F)cc2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,CN(C)C=O,364.0
13834,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2ccc(F)cc2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,CCO,368.0
13834,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2ccc(F)cc2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,ClCCl,374.0
13834,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2ccc(F)cc2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,c1ccccc1,376.0
13835,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2ccccc2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,C1CCOC1,368.0
13835,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2ccccc2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,CC#N,364.0
13835,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2ccccc2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,CCO,368.0
13835,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2ccccc2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,CCOC(C)=O,366.0
13835,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2ccccc2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,CN(C)C=O,358.0
13835,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2ccccc2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,ClCCl,372.0
13835,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2ccccc2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,c1ccccc1,372.0
11407,Cc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,C1CCOC1,366.0
11407,Cc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CC#N,364.0
11407,Cc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CCO,366.0
11407,Cc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CCOC(C)=O,366.0
11407,Cc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CN(C)C=O,360.0
11407,Cc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,372.0
11407,Cc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,c1ccccc1,370.0
9669,COc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,C1CCOC1,366.0
9669,COc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CC#N,366.0
9669,COc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CCO,366.0
9669,COc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CCOC(C)=O,366.0
9669,COc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CN(C)C=O,358.0
9669,COc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,370.0
9669,COc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,c1ccccc1,370.0
13834,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2ccc(F)cc2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,C1CCOC1,370.0
13834,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2ccc(F)cc2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,CC#N,364.0
13834,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2ccc(F)cc2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,CCOC(C)=O,366.0
3630,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(N(CCCC)c2ccc(CCCCCC)cc2)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,666.0
12801,N#CC(=Cc1ccc2c3c(cccc13)-c1c-2c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccccc2c1-c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,ClCCl,447.0
2844,CCCCCC1c2c(C)c(-c3ccc(/C=C(/C#N)C(=O)O)s3)c(C)n2[B-](F)(F)[N+]2=C(C)C(c3ccc4c(c3)Sc3ccccc3N4CCC)=C(C)C12,ClC(Cl)Cl,536.0
6960,CC[N+](CC)=c1ccc2nc3c(cc(NCCC(=O)NC(C)C(=O)OC)c4ccccc43)oc-2c1,CCO,600.0
6960,CC[N+](CC)=c1ccc2nc3c(cc(NCCC(=O)NC(C)C(=O)OC)c4ccccc43)oc-2c1,O,580.0
516,C=CCNc1ccc2c(ccc3oc4cc(=[N+](C)C)ccc-4nc32)c1,CC#N,597.0
516,C=CCNc1ccc2c(ccc3oc4cc(=[N+](C)C)ccc-4nc32)c1,CCO,601.0
516,C=CCNc1ccc2c(ccc3oc4cc(=[N+](C)C)ccc-4nc32)c1,ClCCl,610.0
516,C=CCNc1ccc2c(ccc3oc4cc(=[N+](C)C)ccc-4nc32)c1,O,579.0
519,C=CCNc1ccc2ccc3oc4cc(=[N+](C)C)ccc-4nc3c2c1,CC#N,569.0
519,C=CCNc1ccc2ccc3oc4cc(=[N+](C)C)ccc-4nc3c2c1,CCO,572.0
519,C=CCNc1ccc2ccc3oc4cc(=[N+](C)C)ccc-4nc3c2c1,ClCCl,582.0
519,C=CCNc1ccc2ccc3oc4cc(=[N+](C)C)ccc-4nc3c2c1,O,552.0
13620,O=C(O)CN1C(=O)/C(=C\C=C(/Cl)c2ccc(N(c3ccccc3)c3ccccc3)cc2)SC1=S,CC#N,488.0
11542,Cc1cccc(N(c2ccc(/C=C/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2)c2ccc(C)c(C)c2)c1,CS(C)=O,493.0
13621,O=C(O)CN1C(=O)/C(=C\C=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)SC1=S,CO,476.0
549,C=Cc1ccc(N(c2ccccc2)c2ccc(/C=C/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2)cc1,CO,474.0
232,C(=C/c1ccc(/C=C/c2cccs2)s1)\c1cccs1,CC#N,423.0
5986,CCN(CC)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(O)c1,C1CCOC1,471.0
5986,CCN(CC)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(O)c1,C1COCCO1,471.0
5986,CCN(CC)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(O)c1,CC#N,484.0
5986,CCN(CC)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(O)c1,CC(C)=O,482.0
5986,CCN(CC)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(O)c1,CCO,480.0
5986,CCN(CC)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(O)c1,CCOC(C)=O,473.0
5986,CCN(CC)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(O)c1,CN(C)C=O,484.0
5986,CCN(CC)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(O)c1,CS(C)=O,501.0
5986,CCN(CC)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(O)c1,ClCCl,487.0
6022,CCN(CC)c1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1,CCO,469.0
4213,CCCCCCOc1cc(N(CC)CC)ccc1/C=C1\SC(=S)N(CC(=O)O)C1=O,C1CCOC1,483.0
4213,CCCCCCOc1cc(N(CC)CC)ccc1/C=C1\SC(=S)N(CC(=O)O)C1=O,C1COCCO1,476.0
4213,CCCCCCOc1cc(N(CC)CC)ccc1/C=C1\SC(=S)N(CC(=O)O)C1=O,CC#N,487.0
4213,CCCCCCOc1cc(N(CC)CC)ccc1/C=C1\SC(=S)N(CC(=O)O)C1=O,CC(C)=O,486.0
4213,CCCCCCOc1cc(N(CC)CC)ccc1/C=C1\SC(=S)N(CC(=O)O)C1=O,CCO,486.0
4213,CCCCCCOc1cc(N(CC)CC)ccc1/C=C1\SC(=S)N(CC(=O)O)C1=O,CCOC(C)=O,479.0
4213,CCCCCCOc1cc(N(CC)CC)ccc1/C=C1\SC(=S)N(CC(=O)O)C1=O,CN(C)C=O,485.0
4213,CCCCCCOc1cc(N(CC)CC)ccc1/C=C1\SC(=S)N(CC(=O)O)C1=O,CS(C)=O,501.0
4213,CCCCCCOc1cc(N(CC)CC)ccc1/C=C1\SC(=S)N(CC(=O)O)C1=O,ClCCl,492.0
3919,CCCCCCN(CCCCCC)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1,CC#N,480.0
5980,CCN(CC)c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1,CCO,458.0
2174,CC1CC(C)(C)N(C)c2cc(CCC(=O)O)c(/C=C/C3=CC(=C(C#N)C#N)CC(C)(C)C3)cc21,ClCCl,533.0
2942,CCCCCCC1CC(C)(CCCCCC)N(C)c2ccc(/C=C/C3=C/C(=C(\C#N)C(=O)O)CC(C)(C)C3)cc21,ClCCl,518.0
2179,CC1CC(C)(C)N(C)c2ccc(/C=C/C3=C/C(=C(\C#N)C(=O)O)CC(C)(C)C3)cc21,ClCCl,514.0
2173,CC1CC(C)(C)N(C)c2cc(CCC(=O)O)c(/C=C/C3=C/C(=C(/C#N)C(=O)O)CC(C)(C)C3)cc21,ClCCl,485.0
9702,COc1ccc2c(c1)C(C)(C)C1=[N+]2[B-](F)(F)n2cccc2-c2c1cc1n2CC=C1,CO,462.0
9702,COc1ccc2c(c1)C(C)(C)C1=[N+]2[B-](F)(F)n2cccc2-c2c1cc1n2CC=C1,CS(C)=O,467.0
9702,COc1ccc2c(c1)C(C)(C)C1=[N+]2[B-](F)(F)n2cccc2-c2c1cc1n2CC=C1,Cc1ccccc1,467.0
9702,COc1ccc2c(c1)C(C)(C)C1=[N+]2[B-](F)(F)n2cccc2-c2c1cc1n2CC=C1,ClCCl,462.0
9702,COc1ccc2c(c1)C(C)(C)C1=[N+]2[B-](F)(F)n2cccc2-c2c1cc1n2CC=C1,O,470.0
1624,CC1(C)C2=[N+](c3ccc(Br)cc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,CO,472.0
1624,CC1(C)C2=[N+](c3ccc(Br)cc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,CS(C)=O,476.0
1624,CC1(C)C2=[N+](c3ccc(Br)cc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,Cc1ccccc1,476.0
1624,CC1(C)C2=[N+](c3ccc(Br)cc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,ClCCl,472.0
1624,CC1(C)C2=[N+](c3ccc(Br)cc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,O,492.0
1625,CC1(C)C2=[N+](c3ccc(Cl)cc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,CO,472.0
1625,CC1(C)C2=[N+](c3ccc(Cl)cc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,CS(C)=O,475.0
1625,CC1(C)C2=[N+](c3ccc(Cl)cc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,Cc1ccccc1,473.0
1625,CC1(C)C2=[N+](c3ccc(Cl)cc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,ClCCl,472.0
1625,CC1(C)C2=[N+](c3ccc(Cl)cc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,O,480.0
1626,CC1(C)C2=[N+](c3ccccc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,CO,465.0
1626,CC1(C)C2=[N+](c3ccccc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,CS(C)=O,468.0
1626,CC1(C)C2=[N+](c3ccccc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,Cc1ccccc1,469.0
1626,CC1(C)C2=[N+](c3ccccc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,ClCCl,469.0
1626,CC1(C)C2=[N+](c3ccccc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,O,465.0
6806,CCOC(=O)c1ccc2c(c1)C(C)(C)C1=[N+]2[B-](F)(F)n2cccc2-c2c1cc1n2CC=C1,Cc1ccccc1,486.0
6806,CCOC(=O)c1ccc2c(c1)C(C)(C)C1=[N+]2[B-](F)(F)n2cccc2-c2c1cc1n2CC=C1,ClCCl,481.0
6806,CCOC(=O)c1ccc2c(c1)C(C)(C)C1=[N+]2[B-](F)(F)n2cccc2-c2c1cc1n2CC=C1,O,491.0
6806,CCOC(=O)c1ccc2c(c1)C(C)(C)C1=[N+]2[B-](F)(F)n2cccc2-c2c1cc1n2CC=C1,CO,482.0
6806,CCOC(=O)c1ccc2c(c1)C(C)(C)C1=[N+]2[B-](F)(F)n2cccc2-c2c1cc1n2CC=C1,CS(C)=O,487.0
4844,CCCCCCc1cc(/C=C(/C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3cc(CCCCCC)c(-c4ccc(-c5sc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5CCCCCC)s4)s3)cc2CCCCCC)s1,ClC(Cl)Cl,464.0
4857,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3cc(CCCCCC)c(-c4ccc(-c5sc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5CCCCCC)s4)s3)cc2CCCCCC)s1,ClC(Cl)Cl,464.0
12148,F[Si-](F)(c1ccccc1)(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12,C1CCOC1,391.0
15058,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc4N5c4ccccc4)cc3)n2)cc1,c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1,405.1106428
8536,COCC[N+]1=C(/C=C/C=C/C=C/C=C2/N(CCCCCC(=O)O)C3=C(CC(S(=O)(=O)[O-])C=C3)C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21,O,747.0
12357,N#C/C(=C\c1cc2sc(-c3cc4sc(-c5ccc(N(c6ccc7c(c6)OCCO7)c6ccc7c(c6)OCCO7)cc5)cc4s3)cc2s1)C(=O)O,ClCCl,510.0
1871,CC1(C)c2ccccc2N(c2ccc(-c3nc4cc(C#N)c(C#N)cc4nc3-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)cc2)c2ccccc21,Cc1ccccc1,454.0
1873,CC1(C)c2ccccc2N(c2ccc(-c3nc4ccccc4nc3-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)cc2)c2ccccc21,Cc1ccccc1,400.0
1870,CC1(C)c2ccccc2N(c2ccc(-c3nc4c(C#N)ccc(C#N)c4nc3-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)cc2)c2ccccc21,Cc1ccccc1,479.0
3575,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(-c4c(F)c(F)c(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nccnc45)s3)cc2)cc1,Cc1ccccc1,511.0
4464,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nc(CCCCCC)c(CCCCCC)nc45)s3)cc2)cc1,ClCCl,524.0
3577,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nccnc45)s3)cc2)cc1,Cc1ccccc1,504.0
4161,CCCCCCOc1c(OCCCCCC)c(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)c2nc(C)c(C)nc2c1-c1ccc(/C=C(\C#N)C(=O)O)s1,ClC(Cl)Cl,477.0
4161,CCCCCCOc1c(OCCCCCC)c(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)c2nc(C)c(C)nc2c1-c1ccc(/C=C(\C#N)C(=O)O)s1,ClCCl,477.0
3775,CCCCCCCCc1nc2c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)c2nc1CCCCCCC,ClC(Cl)Cl,516.0
4993,CCCCCCc1nc2c(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c2nc1CCCCCC,ClCCl,510.0
1634,CC1(C)CC(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)=CC(=C(C#N)C#N)C1,C1CCOC1,408.0
1634,CC1(C)CC(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)=CC(=C(C#N)C#N)C1,CC#N,405.0
1634,CC1(C)CC(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)=CC(=C(C#N)C#N)C1,CCO,414.0
1634,CC1(C)CC(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)=CC(=C(C#N)C#N)C1,CCOC(C)=O,407.0
1634,CC1(C)CC(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)=CC(=C(C#N)C#N)C1,ClCCl,410.0
1634,CC1(C)CC(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)=CC(=C(C#N)C#N)C1,c1ccccc1,422.0
6853,CCOC(=O)c1sc2nc3c(c(C#N)c2c1N)CCCCCC3,c1ccccc1,410.0
3873,CCCCCCCCn1nc2c(-c3ccc(C(=O)O)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(-c4cccc5c4C4C6CCC(C6)C4N5c4ccccc4)s3)c2n1,ClCCl,644.0
3862,CCCCCCCCn1nc2c(-c3ccc(/C=C(/C#N)C(=O)O)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(-c4cccc5c4C4C6CCC(C6)C4N5c4ccccc4)s3)c2n1,ClCCl,669.0
259,C(=C/c1ccnc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,402.0
1154,CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5cccc(C(C)(C)C)c5)c5c6cccc7c(C#Cc8ccc(O)c9ncccc89)ccc(c2c45)c76)C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C3=O)cc1,CN(C)C=O,545.0
1149,CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)C)cc5)c5c6ccc(C#Cc7ccc(O)c8ncccc78)c7cccc(c2c45)c76)C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C3=O)cc1,ClCCl,546.0
1149,CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)C)cc5)c5c6ccc(C#Cc7ccc(O)c8ncccc78)c7cccc(c2c45)c76)C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C3=O)cc1,CN(C)C=O,545.0
11668,Cc1nc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)c2s1,C1CCOC1,420.0
5631,CCCCn1c(-c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)s2)nc2c3cccc4ccc5cccc(c5c43)c21,C1CCOC1,464.0
5631,CCCCn1c(-c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)s2)nc2c3cccc4ccc5cccc(c5c43)c21,CN(C)C=O,464.0
5631,CCCCn1c(-c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)s2)nc2c3cccc4ccc5cccc(c5c43)c21,CO,464.0
5631,CCCCn1c(-c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)s2)nc2c3cccc4ccc5cccc(c5c43)c21,ClCCl,464.0
7284,CN(C)c1cc(-c2ccccc2)cc2ccccc12,ClCCl,318.0
9798,COc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2c1,CC#N,341.0
9798,COc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2c1,ClC(Cl)Cl,346.0
9798,COc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2c1,ClCCl,345.0
9798,COc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2c1,C1CCOC1,344.0
1413,CC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc3c4c(sc3cc12)-c1cc2c(cc1NB4c1ccccc1)-c1sc3cc4c(C#C[Si](C(C)C)(C(C)C)C(C)C)c5ccccc5c(C#C[Si](C(C)C)(C(C)C)C(C)C)c4cc3c1B(c1ccccc1)N2)(C(C)C)C(C)C,C1CCOC1,532.0
3968,CCCCCCN1C(=O)c2c(-c3ccc(C=C(C#N)C(=O)O)s3)sc(-c3ccc(-c4cc5c6c(c4)CCCN6CCC5)s3)c2C1=O,C1CCOC1,510.0
2590,CCCCC(CC)CN1C(=O)c2c(-c3ccc(C=C(C#N)C(=O)O)s3)sc(-c3ccc(-c4cc5c6c(c4)CCCN6CCC5)s3)c2C1=O,C1CCOC1,506.0
12994,N#Cc1c(N2CCCCC2)cc(-c2ccc(Br)cc2)c2c1CCc1ccccc1-2,C1CCOC1,356.0
3940,CCCCCCN(c1ccccc1)c1ccc(/C=C(\C#N)c2ccc(/C=N/c3ccc(C(=O)O)cc3)s2)cc1,ClC(Cl)Cl,466.0
4235,CCCCCCOc1ccc(-c2cc3cc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)c5nc(-c6ccc(OCC(CC)CCCCC)cc6)c(-c6ccc(OCC(CC)CCCCC)cc6)nc45)cc4c3n2-c2ccccc2S4)cc1,ClCCl,424.0
2759,CCCCC1(CCCC)C(C=C2C(=O)C(c3ccc4c(c3)C3CCCC3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)=C2[O-])=[N+](CCC(=O)O)c2ccccc21,CS(C)=O,643.0
13673,O=C(O)c1cc(C(=O)O)cc(-c2nc(-c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)nc(-c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)n2)c1,CN(C)C=O,451.0
12286,N#C/C(=C/c1ccc(-c2nc(-c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)nc(-c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)n2)cc1)C(=O)O,CN(C)C=O,459.0
13705,O=C(O)c1ccc(-c2nc(-c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)nc(-c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)n2)cc1,CN(C)C=O,451.0
11140,Cc1ccc(C2=C3C=CC(N4CCC(N5CCCCC5)CC4)=[N+]3[B-](F)(F)n3cccc32)cc1,ClCCl,481.0
1691,CC1(C)CCc2c(c3ccccc3c3nc4c(nc23)c2c(c3ccccc34)OC(C)(C)CC2)O1,C1COCCO1,434.9717268
1691,CC1(C)CCc2c(c3ccccc3c3nc4c(nc23)c2c(c3ccccc34)OC(C)(C)CC2)O1,CC#N,434.9717268
1691,CC1(C)CCc2c(c3ccccc3c3nc4c(nc23)c2c(c3ccccc34)OC(C)(C)CC2)O1,CC(C)O,431.9654428
1691,CC1(C)CCc2c(c3ccccc3c3nc4c(nc23)c2c(c3ccccc34)OC(C)(C)CC2)O1,CCCCCC,429.9226139
1691,CC1(C)CCc2c(c3ccccc3c3nc4c(nc23)c2c(c3ccccc34)OC(C)(C)CC2)O1,ClC(Cl)Cl,437.0629371
1691,CC1(C)CCc2c(c3ccccc3c3nc4c(nc23)c2c(c3ccccc34)OC(C)(C)CC2)O1,c1ccccc1,434.9717268
1691,CC1(C)CCc2c(c3ccccc3c3nc4c(nc23)c2c(c3ccccc34)OC(C)(C)CC2)O1,C1CCCCC1,431.0344828
2680,CCCCC(CC)C[Si]1(CC(CC)CCCC)c2cc(C=C(C#N)C(=O)O)sc2-c2cc(-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)sc21,C1CCOC1,490.0
4680,CCCCCC[Si]1(CCCCCC)c2cc(C=C(C#N)C(=O)O)sc2-c2cc(-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)sc21,C1CCOC1,486.0
9337,COc1ccc(C#Cc2cc3ccccc3oc2=O)cc1,CC#N,353.0
3294,CCCCCCCCCCOc1cc2cc(C#Cc3ccc(/C=C(\C#N)C(=O)O)cc3)c(=O)oc2cc1OCCCCCCCCCC,CC#N,398.0
11079,Cc1ccc(C#Cc2cc3ccccc3oc2=O)cc1,CC#N,345.0
14562,O=c1oc2ccccc2cc1C#Cc1ccccc1,CC#N,342.0
1385,CC(C)Oc1ccc(C#Cc2cc3ccccc3oc2=O)cc1,CC#N,356.0
7498,CN(C)c1ccc(C#Cc2cc3ccccc3oc2=O)cc1,ClCCl,406.0
8882,COc1cc2cc(C#Cc3ccc(C=C(C#N)C(=O)O)cc3)c(=O)oc2cc1OC,CC#N,398.0
8881,COc1cc2cc(C#Cc3ccc(/C=C(\C#N)C(=O)O)cc3)c(=O)oc2cc1OC,CC#N,398.0
12552,N#C/C(=C\c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1)C(=O)O,CCO,410.0
11210,Cc1ccc(N(c2ccc(-c3ccc(C=C(C#N)C(=O)O)cc3)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)cc3)cc2)c(C)c1,ClC(Cl)Cl,456.0
12772,N#CC(=Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1)C(=O)O,CCO,410.0
8796,COc1cc(OC)cc(C2=C3C(C)=C(I)C(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccsc4)c(I)c(C)c32)c1,CS(C)=O,604.0
8796,COc1cc(OC)cc(C2=C3C(C)=C(I)C(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccsc4)c(I)c(C)c32)c1,ClCCl,599.0
8796,COc1cc(OC)cc(C2=C3C(C)=C(I)C(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccsc4)c(I)c(C)c32)c1,C1CCOC1,598.0
12705,N#CC(=Cc1ccc(-c2ccc3c(c2)C2CCCC2N3c2ccc3c(c2)Cc2ccccc2-3)s1)C(=O)O,CN(C)C=O,435.0
10046,CSc1ccc(/C=C/c2ccncn2)cc1,ClCCl,346.0
11766,Clc1ccc(/C=C/c2ccncn2)cc1,ClCCl,310.0
7445,CN(C)c1ccc(/C=C/c2ccncn2)cc1,ClCCl,393.0
35,Brc1ccc(/C=C/c2ccncn2)cc1,ClCCl,317.0
9292,COc1ccc(/C=C/c2ccncn2)cc1,ClCCl,338.0
14848,c1cc2c3c(c1)-c1cccc4cccc(c14)B3c1cccc3cccc-2c13,Cc1ccccc1,466.0
13867,O=C(c1sc(-c2ccc(-c3cc(-c4cccs4)c(C(=O)N4CCOCC4)s3)s2)cc1-c1cccs1)N1CCOCC1,ClCCl,379.0
314,C(=C\c1ccc2ccc3cccc4ccc1c2c34)\c1ccc(/C=C/c2c3ccccc3cc3ccccc23)cc1,ClCCl,388.0
314,C(=C\c1ccc2ccc3cccc4ccc1c2c34)\c1ccc(/C=C/c2c3ccccc3cc3ccccc23)cc1,CCCCCC,385.0
314,C(=C\c1ccc2ccc3cccc4ccc1c2c34)\c1ccc(/C=C/c2c3ccccc3cc3ccccc23)cc1,CS(C)=O,390.0
194,C(=C/c1c2ccccc2cc2ccccc12)\c1ccc(/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,CCCCCC,402.0
194,C(=C/c1c2ccccc2cc2ccccc12)\c1ccc(/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,CS(C)=O,418.0
194,C(=C/c1c2ccccc2cc2ccccc12)\c1ccc(/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,ClCCl,411.0
2957,CCCCCCCCC(CCCCCC)COc1ccc2c(c1)C(c1ccc(CCCCCC)cc1)(c1ccc(CCCCCC)cc1)c1c-2c2cccc3c4cccc5c(C#Cc6ccc(-c7ccc(C(=O)O)cc7)c7nsnc67)cc6c(c54)c(c23)c1n6CC(CCCCCC)CCCCCCCC,C1CCOC1,536.0
45,Brc1ccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(-c6nc7cc(Br)ccc7[nH]6)cc5)cc4)cc3)nc2c1,CN(C)C=O,350.0
10392,Cc1cc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)ccc1-c1ccc(-c2nc3ccccc3[nH]2)cc1,CN(C)C=O,330.0
15338,c1ccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(-c6nc7ccccc7[nH]6)cc5)cc4)cc3)nc2c1,CN(C)C=O,349.0
12175,Fc1cc(-c2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)ccc1-c1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1,CN(C)C=O,342.0
12176,Fc1cc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)ccc1-c1ccc(-c2nc3ccccc3[nH]2)cc1,CN(C)C=O,343.0
11411,Cc1ccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(-c6nc7cc(C)ccc7[nH]6)cc5)c(C)c4)cc3)nc2c1,CN(C)C=O,333.0
11412,Cc1ccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(-c6nc7cc(C)ccc7[nH]6)cc5)c(F)c4)cc3)nc2c1,CN(C)C=O,344.0
11413,Cc1ccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(-c6nc7cc(C)ccc7[nH]6)cc5)cc4)cc3)nc2c1,CN(C)C=O,351.0
10391,Cc1cc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c(C)cc1-c1ccc(-c2nc3ccccc3[nH]2)cc1,CN(C)C=O,323.0
15473,c1ccc2c(c1)nc1c3ccccc3c3nccnc3n21,CC#N,354.0
7466,CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCS(=O)(=O)[O-])cc1,CO,565.0
7466,CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCS(=O)(=O)[O-])cc1,ClC(Cl)Cl,565.0
5975,CCN(CC)c1ccc(/C=C/c2sc3ccccc3[n+]2CC(=O)[O-])c(O)c1,CO,535.0
5976,CCN(CC)c1ccc(/C=C/c2sc3ccccc3[n+]2CC(=O)[O-])cc1,CO,533.0
5977,CCN(CC)c1ccc(/C=C/c2sc3ccccc3[n+]2CCC(=O)[O-])c(O)c1,CO,544.0
5978,CCN(CC)c1ccc(/C=C/c2sc3ccccc3[n+]2CCC(=O)[O-])cc1,CO,536.0
5979,CCN(CC)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCS(=O)(=O)[O-])c(O)c1,CO,547.0
12759,N#CC(=Cc1ccc(C2=NC(c3ccccc3)C(c3ccccc3)N2)cc1)C(=O)O,CN(C)C=O,366.0
12759,N#CC(=Cc1ccc(C2=NC(c3ccccc3)C(c3ccccc3)N2)cc1)C(=O)O,C1CCOC1,366.0
5687,CCCCn1c2cc(-c3ccc(-c4cncc(-c5ccc(-c6ccc7c8ccc(N(c9ccccc9)c9ccccc9)cc8n(CCCC)c7c6)s5)c4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1COCCO1,388.0
198,C(=C/c1c2ccccc2cc2ccccc12)\c1cccc(/C=C/c2ccc3ccc4cccc5ccc2c3c45)c1,CCCCCC,375.0
198,C(=C/c1c2ccccc2cc2ccccc12)\c1cccc(/C=C/c2ccc3ccc4cccc5ccc2c3c45)c1,CS(C)=O,383.0
198,C(=C/c1c2ccccc2cc2ccccc12)\c1cccc(/C=C/c2ccc3ccc4cccc5ccc2c3c45)c1,ClCCl,379.0
1836,CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(-c5cc6ccccc6c6c5oc5ccccc56)ccc3-4)cc21,C1CCOC1,382.0
14073,O=C1c2ccccc2C(=O)C1C1C(=O)c2c3ccccc3cc3cc4ccccc4c1c23,ClCCl,505.7209574
1185,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c1n2B1c2c-3cccc2-c2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n1c23,ClCCl,369.0
1185,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c1n2B1c2c-3cccc2-c2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n1c23,C1CCOC1,387.0
11861,Cn1c2cc(N3CCCCC3)c(F)cc2c(=O)c2cc(F)c(N3CCCCC3)cc21,CCO,368.0
9425,COc1ccc(C2=C3C(/C=C/c4cc(OC)c(OC)c(OC)c4)=C(C=O)C(C)=[N+]3[B-](F)(F)n3c(C)c(C=O)c(C=Cc4cc(OC)c(OC)c(OC)c4)c32)cc1,ClCCl,576.0
2653,CCCCC(CC)COc1ccc(-c2cc3ccc(C=Cc4ccc(C(=O)O)s4)c4cc(-c5ccc(OCC(CC)CCCC)cc5)c5ccc2n5c34)cc1,ClC(Cl)Cl,490.0
5941,CCN(CC)c1ccc(-c2cc3c(s2)=CC2=C(c4ccc(C(=O)O)s4)c4cc5sc(-c6ccc(N(CC)CC)cc6)cc5n4[B-](F)(F)[N+]=32)cc1,ClCCl,812.0
15017,c1ccc(-c2cnc3nn4ccccc4c3c2)cc1,C1CCOC1,383.0
10969,Cc1ccc(-c2cnc3nn4ccccc4c3c2)cc1,C1CCOC1,386.0
9086,COc1ccc(-c2cnc3nn4ccccc4c3c2)cc1,C1CCOC1,386.0
684,CC(=O)c1ccc(-c2cnc3nn4ccccc4c3c2)cc1,C1CCOC1,386.0
7125,CCn1c2c(-c3ccc(-c4cccs4)s3)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(-c3ccc(-c4cccs4)s3)c21,ClCCl,360.0
4357,CCCCCCOc1ccc(N(c2ccc(/C=C/c3ccc(/C=C/c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,490.0
4541,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ncc(-c4ccc(C=C(C#N)C(=O)O)o4)c4nn(CCCCCC)nc34)cc2)cc1,C1CCOC1,490.0
5156,CCCCCCn1nc2c(-c3ccc(C=C(C#N)C(=O)O)o3)cnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2n1,C1CCOC1,476.0
7708,CN(C)c1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](C)C)C=CC1=C2,CO,636.0
7708,CN(C)c1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](C)C)C=CC1=C2,O,634.0
7710,CN(C)c1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](C)C)C=CC1=C2CCCCCCNC(=O)OC(C)(C)C,O,458.0
473,C1=[N+](c2ccccc2)[B-]2(Oc3c1ccc1c4c(ccc31)C=[N+](c1ccccc1)[B-]1(O4)c3ccccc3Oc3ccccc31)c1ccccc1Oc1ccccc12,Cc1ccccc1,549.0
473,C1=[N+](c2ccccc2)[B-]2(Oc3c1ccc1c4c(ccc31)C=[N+](c1ccccc1)[B-]1(O4)c3ccccc3Oc3ccccc31)c1ccccc1Oc1ccccc12,ClCCl,545.0
0,B1C=Cc2c(ccc3ccccc23)N1,C1CCCCC1,345.0
14858,c1cc2c3c(cccc3c1)-c1c-2ccc2ccc3ccccc3c12,CCCCCCC,408.0
11012,Cc1ccc(-n2c(-c3cccc4cc[nH]c34)nc3c4ccccc4c4ccccc4c32)cc1,Cc1ccccc1,354.0
9767,COc1ccc2c3c(c4ccc(OC)cc4c2c1)C(C)(C)c1c-3ccc2ccccc12,C1CCCCC1,391.0
13138,N#Cc1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(C#N)cc5)c5ccc2c3c45)cc1,C1COCCO1,408.0
13138,N#Cc1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(C#N)cc5)c5ccc2c3c45)cc1,CC(C)=O,405.0
13138,N#Cc1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(C#N)cc5)c5ccc2c3c45)cc1,CCCCCC,412.0
13138,N#Cc1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(C#N)cc5)c5ccc2c3c45)cc1,CCCCCCO,410.0
13138,N#Cc1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(C#N)cc5)c5ccc2c3c45)cc1,CCO,407.0
13138,N#Cc1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(C#N)cc5)c5ccc2c3c45)cc1,CCOC(C)=O,406.0
13138,N#Cc1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(C#N)cc5)c5ccc2c3c45)cc1,CO,405.0
13138,N#Cc1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(C#N)cc5)c5ccc2c3c45)cc1,Cc1ccccc1,414.0
13138,N#Cc1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(C#N)cc5)c5ccc2c3c45)cc1,ClCCl,412.0
7517,CN(C)c1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c45)cc1,C1COCCO1,429.0
7517,CN(C)c1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c45)cc1,CC(C)=O,431.0
7517,CN(C)c1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c45)cc1,CCCCCC,421.0
7517,CN(C)c1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c45)cc1,CCCCCCO,429.0
7517,CN(C)c1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c45)cc1,CCO,426.0
7517,CN(C)c1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c45)cc1,CCOC(C)=O,428.0
7517,CN(C)c1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c45)cc1,CO,427.0
7517,CN(C)c1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c45)cc1,Cc1ccccc1,429.0
7517,CN(C)c1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c45)cc1,ClCCl,429.0
13327,Nc1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N)cc5)c5ccc2c3c45)cc1,C1COCCO1,420.0
13327,Nc1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N)cc5)c5ccc2c3c45)cc1,CC(C)=O,421.0
13327,Nc1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N)cc5)c5ccc2c3c45)cc1,CCCCCC,421.0
13327,Nc1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N)cc5)c5ccc2c3c45)cc1,CCCCCCO,421.0
13327,Nc1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N)cc5)c5ccc2c3c45)cc1,CCO,419.0
13327,Nc1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N)cc5)c5ccc2c3c45)cc1,CCOC(C)=O,419.0
13327,Nc1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N)cc5)c5ccc2c3c45)cc1,CO,415.0
13327,Nc1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N)cc5)c5ccc2c3c45)cc1,Cc1ccccc1,417.0
13327,Nc1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N)cc5)c5ccc2c3c45)cc1,ClCCl,417.0
8785,COc1cc(OC)cc(-c2nnc(-c3cc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)cc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)c3)o2)c1,ClCCl,300.0
8785,COc1cc(OC)cc(-c2nnc(-c3cc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)cc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)c3)o2)c1,C1CCCCC1,300.0
8785,COc1cc(OC)cc(-c2nnc(-c3cc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)cc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)c3)o2)c1,C1CCOC1,299.0
8785,COc1cc(OC)cc(-c2nnc(-c3cc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)cc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)c3)o2)c1,CC#N,301.0
8785,COc1cc(OC)cc(-c2nnc(-c3cc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)cc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)c3)o2)c1,CCO,300.0
8785,COc1cc(OC)cc(-c2nnc(-c3cc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)cc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)c3)o2)c1,CS(C)=O,300.0
7047,CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)c(CC)c(/C=C/c5ccc(N(C)C)cc5)n4[B-]3(F)F)c3ccccc32)c1C,C1CCOC1,720.0
7047,CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)c(CC)c(/C=C/c5ccc(N(C)C)cc5)n4[B-]3(F)F)c3ccccc32)c1C,CC#N,713.0
7047,CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)c(CC)c(/C=C/c5ccc(N(C)C)cc5)n4[B-]3(F)F)c3ccccc32)c1C,CCCCCC,719.0
7047,CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)c(CC)c(/C=C/c5ccc(N(C)C)cc5)n4[B-]3(F)F)c3ccccc32)c1C,CO,712.0
7047,CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)c(CC)c(/C=C/c5ccc(N(C)C)cc5)n4[B-]3(F)F)c3ccccc32)c1C,Cc1ccccc1,730.0
6625,CCOC(=O)COc1ccc(/C=C/c2c(CC)c(C)c3n2[B-](F)(F)[N+]2=C(c4[nH]c(C)c(CC)c4C)c4ccccc4C2=C3C)cc1,C1CCOC1,675.0
6625,CCOC(=O)COc1ccc(/C=C/c2c(CC)c(C)c3n2[B-](F)(F)[N+]2=C(c4[nH]c(C)c(CC)c4C)c4ccccc4C2=C3C)cc1,CC#N,664.0
6625,CCOC(=O)COc1ccc(/C=C/c2c(CC)c(C)c3n2[B-](F)(F)[N+]2=C(c4[nH]c(C)c(CC)c4C)c4ccccc4C2=C3C)cc1,CCCCCC,677.0
6625,CCOC(=O)COc1ccc(/C=C/c2c(CC)c(C)c3n2[B-](F)(F)[N+]2=C(c4[nH]c(C)c(CC)c4C)c4ccccc4C2=C3C)cc1,CO,666.0
6625,CCOC(=O)COc1ccc(/C=C/c2c(CC)c(C)c3n2[B-](F)(F)[N+]2=C(c4[nH]c(C)c(CC)c4C)c4ccccc4C2=C3C)cc1,Cc1ccccc1,682.0
6625,CCOC(=O)COc1ccc(/C=C/c2c(CC)c(C)c3n2[B-](F)(F)[N+]2=C(c4[nH]c(C)c(CC)c4C)c4ccccc4C2=C3C)cc1,ClCCl,675.0
6626,CCOC(=O)COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=C(c4[nH]c(C)cc4C)c4ccccc4C2=C3)cc1,C1CCOC1,679.0
6626,CCOC(=O)COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=C(c4[nH]c(C)cc4C)c4ccccc4C2=C3)cc1,CC#N,670.0
6626,CCOC(=O)COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=C(c4[nH]c(C)cc4C)c4ccccc4C2=C3)cc1,CCCCCC,679.0
6626,CCOC(=O)COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=C(c4[nH]c(C)cc4C)c4ccccc4C2=C3)cc1,CO,671.0
6626,CCOC(=O)COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=C(c4[nH]c(C)cc4C)c4ccccc4C2=C3)cc1,Cc1ccccc1,678.0
6626,CCOC(=O)COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=C(c4[nH]c(C)cc4C)c4ccccc4C2=C3)cc1,ClCCl,680.0
7047,CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)c(CC)c(/C=C/c5ccc(N(C)C)cc5)n4[B-]3(F)F)c3ccccc32)c1C,ClCCl,725.0
2252,CCC(C)(C)c1ccc2c(c1)C(CC)(CC)c1cc(-c3ccc4c(c3)C(CC)(CC)c3cc(C(C)(C)CC)ccc3-4)ccc1-2,C1CCCCC1,331.0
2254,CCC(C)(C)c1ccc2c(c1)C(CCOC)(CCOC)c1cc(-c3ccc4c(c3)C(CCOC)(CCOC)c3cc(C(C)(C)CC)ccc3-4)ccc1-2,C1CCCCC1,331.0
13495,O=C(N/N=C/c1ccccc1O)c1cc2ccccc2cc1O,CN(C)C=O,340.0
13495,O=C(N/N=C/c1ccccc1O)c1cc2ccccc2cc1O,CS(C)=O,400.0
13495,O=C(N/N=C/c1ccccc1O)c1cc2ccccc2cc1O,ClCCl,334.0
13495,O=C(N/N=C/c1ccccc1O)c1cc2ccccc2cc1O,C1CCOC1,335.0
13495,O=C(N/N=C/c1ccccc1O)c1cc2ccccc2cc1O,CC#N,339.0
13495,O=C(N/N=C/c1ccccc1O)c1cc2ccccc2cc1O,CC(C)=O,350.0
13495,O=C(N/N=C/c1ccccc1O)c1cc2ccccc2cc1O,CCO,400.0
3624,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(/C=C(\C#N)C(=O)O)c3ccccc23)=c2/cc/c3n2[Zn]n2c1ccc2/C(N(c1ccc(CCCCCC)cc1)c1ccc(CCCCCC)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,655.0
3625,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)c3ccccc23)=c2/cc/c3n2[Zn]n2c1ccc2/C(N(c1ccc(CCCCCC)cc1)c1ccc(CCCCCC)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,648.0
3763,CCCCCCCCc1ccc(N(/C2=C3\C=CC(=N3)/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=CC(=N2)/C=4C#Cc2ccc(C(=O)O)c3ccccc23)c2ccc(CCCCCCCC)cc2)cc1,C1CCOC1,652.0
3762,CCCCCCCCc1ccc(N(/C2=C3\C=CC(=N3)/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=CC(=N2)/C=4C#Cc2ccc(/C=C(\C#N)C(=O)O)c3ccccc23)c2ccc(CCCCCCCC)cc2)cc1,C1CCOC1,657.0
937,CC(C)(C)c1cc(/C=C/C=C2/N(CCC[SH](=O)([O-])O)c3ccc(S(=O)(=O)[O-])cc3C2(C)CCCC(=O)O)[o+]c2cc(N(Cc3cccc(S(=O)(=O)[O-])c3)Cc3cccc(S(=O)(=O)[O-])c3)ccc12,CCO,685.0
6613,CCOC(=O)CN1C(=O)C2=C(c3ccc(N4CCCCC4)cc3)N(CC(=O)OCC)C(=O)C2=C1c1ccc(C#N)cc1,CC#N,524.0
6613,CCOC(=O)CN1C(=O)C2=C(c3ccc(N4CCCCC4)cc3)N(CC(=O)OCC)C(=O)C2=C1c1ccc(C#N)cc1,CS(C)=O,541.0
6613,CCOC(=O)CN1C(=O)C2=C(c3ccc(N4CCCCC4)cc3)N(CC(=O)OCC)C(=O)C2=C1c1ccc(C#N)cc1,Cc1ccccc1,527.0
6615,CCOC(=O)CN1C(=O)C2=C(c3ccc(N4CCCCC4)cc3)N(CC(=O)OCC)C(=O)C2=C1c1ccccc1,CC#N,500.0
6615,CCOC(=O)CN1C(=O)C2=C(c3ccc(N4CCCCC4)cc3)N(CC(=O)OCC)C(=O)C2=C1c1ccccc1,CS(C)=O,516.0
6615,CCOC(=O)CN1C(=O)C2=C(c3ccc(N4CCCCC4)cc3)N(CC(=O)OCC)C(=O)C2=C1c1ccccc1,Cc1ccccc1,499.0
2342,CCC1(CC)c2cc(C#Cc3cc(C#Cc4ccc5c(c4)C(CC)(CC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)cc(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)c6ccc3c4c65)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CN(C)C=O,506.0
2342,CCC1(CC)c2cc(C#Cc3cc(C#Cc4ccc5c(c4)C(CC)(CC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)cc(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)c6ccc3c4c65)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,Cc1ccccc1,503.0
2342,CCC1(CC)c2cc(C#Cc3cc(C#Cc4ccc5c(c4)C(CC)(CC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)cc(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)c6ccc3c4c65)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClC(Cl)Cl,503.0
2342,CCC1(CC)c2cc(C#Cc3cc(C#Cc4ccc5c(c4)C(CC)(CC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)cc(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)c6ccc3c4c65)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,504.0
2342,CCC1(CC)c2cc(C#Cc3cc(C#Cc4ccc5c(c4)C(CC)(CC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)cc(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)c6ccc3c4c65)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCCCC1,500.0
2342,CCC1(CC)c2cc(C#Cc3cc(C#Cc4ccc5c(c4)C(CC)(CC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)cc(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)c6ccc3c4c65)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,506.0
2342,CCC1(CC)c2cc(C#Cc3cc(C#Cc4ccc5c(c4)C(CC)(CC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)cc(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)c6ccc3c4c65)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CCOC(C)=O,502.0
2105,CC1=CC(c2ccc3cc(N(C)C)ccc3c2)=[O+][B-](F)(F)O1,C1CCOC1,456.0
2105,CC1=CC(c2ccc3cc(N(C)C)ccc3c2)=[O+][B-](F)(F)O1,CC#N,465.0
2105,CC1=CC(c2ccc3cc(N(C)C)ccc3c2)=[O+][B-](F)(F)O1,CC(C)=O,460.0
2105,CC1=CC(c2ccc3cc(N(C)C)ccc3c2)=[O+][B-](F)(F)O1,CS(C)=O,477.0
2105,CC1=CC(c2ccc3cc(N(C)C)ccc3c2)=[O+][B-](F)(F)O1,Cc1ccccc1,455.0
2105,CC1=CC(c2ccc3cc(N(C)C)ccc3c2)=[O+][B-](F)(F)O1,ClC(Cl)Cl,466.0
2105,CC1=CC(c2ccc3cc(N(C)C)ccc3c2)=[O+][B-](F)(F)O1,ClCCl,469.0
649,CC(=O)[B-]1(C(C)=O)OC(C)=CC(c2ccc3ccccc3c2)=[O+]1,CC#N,380.0
649,CC(=O)[B-]1(C(C)=O)OC(C)=CC(c2ccc3ccccc3c2)=[O+]1,ClC(Cl)(Cl)Cl,380.0
13647,O=C(O)CN1C(=O)C(=Cc2ccc(N(c3ccccc3)c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)cc2)SC1=S,CO,468.0
12464,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(/C=C/c4cccs4)cc3)c3ccc(/C=C/c4cccs4)cc3)cc2)o1)C(=O)O,ClCCl,476.0
5989,CCN(CC)c1ccc(/C=N/C2CCCCC2/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,CC#N,376.0
5989,CCN(CC)c1ccc(/C=N/C2CCCCC2/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,CN(C)C=O,410.0
5989,CCN(CC)c1ccc(/C=N/C2CCCCC2/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,ClCCl,403.0
14704,Oc1ccccc1/C=N/C1CCCCC1/N=C/c1ccccc1O,CC#N,400.0
10009,COc1nc(Cl)nc(Nc2ccc3cc4ccccc4cc3c2)n1,C1COCCO1,396.0
10009,COc1nc(Cl)nc(Nc2ccc3cc4ccccc4cc3c2)n1,CC#N,397.0
10009,COc1nc(Cl)nc(Nc2ccc3cc4ccccc4cc3c2)n1,CCCCOCCCC,396.0
10009,COc1nc(Cl)nc(Nc2ccc3cc4ccccc4cc3c2)n1,CCOC(C)=O,398.0
11803,Clc1nc(Cl)nc(Nc2ccc3cc4ccccc4cc3c2)n1,CCCCOCCCC,395.0
10013,COc1nc(Nc2ccc3cc4ccccc4cc3c2)nc(OC)n1,C1COCCO1,396.0
10013,COc1nc(Nc2ccc3cc4ccccc4cc3c2)nc(OC)n1,CC#N,395.0
10013,COc1nc(Nc2ccc3cc4ccccc4cc3c2)nc(OC)n1,CCCCOCCCC,398.0
10013,COc1nc(Nc2ccc3cc4ccccc4cc3c2)nc(OC)n1,CCOC(C)=O,395.0
11803,Clc1nc(Cl)nc(Nc2ccc3cc4ccccc4cc3c2)n1,C1COCCO1,397.0
11803,Clc1nc(Cl)nc(Nc2ccc3cc4ccccc4cc3c2)n1,CC#N,398.0
11803,Clc1nc(Cl)nc(Nc2ccc3cc4ccccc4cc3c2)n1,CCOC(C)=O,394.0
13503,O=C(NCc1cc(=O)oc2cc(O)c(Br)cc12)c1cccnc1,CO,372.0
13503,O=C(NCc1cc(=O)oc2cc(O)c(Br)cc12)c1cccnc1,CS(C)=O,408.0
13503,O=C(NCc1cc(=O)oc2cc(O)c(Br)cc12)c1cccnc1,O,330.0
13504,O=C(NCc1cc(=O)oc2cc([O-])c(Br)cc12)c1cccnc1,O,370.0
13503,O=C(NCc1cc(=O)oc2cc(O)c(Br)cc12)c1cccnc1,CC#N,392.0
5692,CCCCn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2ccc(N(c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)cc21,ClCCl,497.0
393,C1=C(c2ccccc2)C2=Nc3c(-c4ccccc4)cc4n3[B-]3(Oc5ccccc5C1=[N+]23)Oc1ccccc1-4,Cc1ccccc1,728.0
9716,COc1ccc2c(c1)O[B-]13Oc4cc(OC)ccc4-c4cc(-c5ccccc5)c(n41)N=C1C(c4ccccc4)=CC2=[N+]13,ClC(Cl)Cl,764.5
15060,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)[Si](c4ccccc4)(c4ccccc4)c4cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc4N5c4ccccc4)cc3)n2)cc1,c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1,402.1601686
10060,CSc1ccc2c(c1)N(CCCN1CCN(C)CN1C)c1ccccc1S2,CO,314.0
10060,CSc1ccc2c(c1)N(CCCN1CCN(C)CN1C)c1ccccc1S2,O,312.0
10060,CSc1ccc2c(c1)N(CCCN1CCN(C)CN1C)c1ccccc1S2,CC#N,316.0
12675,N#CC(=Cc1ccc(-c2ccc(-n3c4ccc(-c5ccc(C=Cc6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4c4cc(-c5ccc(C=Cc6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)ccc43)s2)s1)C(=O)O,CN(C)C=O,479.0
13693,O=C(O)c1ccc(-c2c3cc4c5c(c3oc3c2ccc2cc(=O)ccc23)CCCN5CCC4)c(C(=O)O)c1,O,678.0
5310,CCCCN1C(=O)C(=C/C=C/C=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,CCCCCC,574.0
5310,CCCCN1C(=O)C(=C/C=C/C=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,CCO,452.0
5310,CCCCN1C(=O)C(=C/C=C/C=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,CN(C)C=O,497.0
5310,CCCCN1C(=O)C(=C/C=C/C=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,Cc1ccccc1,575.0
5310,CCCCN1C(=O)C(=C/C=C/C=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,ClC(Cl)Cl,559.0
5310,CCCCN1C(=O)C(=C/C=C/C=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,ClCCl,550.0
10177,C[Si](C)(C)[Si](c1ccc([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)s1)([Si](C)(C)C)[Si](C)(C)C,ClCCl,285.0
14403,O=[N+]([O-])c1cccs1,CO,308.0
14403,O=[N+]([O-])c1cccs1,O,318.0
15526,c1ccsc1,ClCCl,230.0
6690,CCOC(=O)c1c(N)sc(N)c1C(=O)OCC,CC#N,305.0
10157,C[Si](C)(C)C#CC(C#C[Si](C)(C)C)=Cc1ccc(C=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)s1,ClC(Cl)Cl,458.0
12022,F[B-]1(F)OC(c2cc3c4c(c2)CCCN4CCC3)=Cc2cccc[n+]21,ClC(Cl)Cl,450.0
3104,CCCCCCCCCCCCCCCc1c(C=C(C#N)C(=O)O)sc2c1sc1c3sc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)c(CCCCCCCCCCCCCCC)c3sc21,Clc1ccccc1Cl,482.0
3357,CCCCCCCCN(c1ccccc1)c1ccc(C=C2C(=O)NC(=O)NC2=O)cc1,C1CCOC1,451.0
2288,CCC1(CC)c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)n3C)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,475.0
4652,CCCCCCSC1=C(SCCCCCC)SC(=c2c3ccccc3c(=C3SC(SCCCCCC)=C(SCCCCCC)S3)c3cc(-c4ccc(/C=C5/SC(=S)N(CC(=O)O)C5=O)cc4)ccc23)S1,CN(C)C=O,385.0
13356,Nc1ccc2c(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)c3ccc(=[NH2+])cc-3sc2c1,O,525.0
2704,CCCCC(CC)Cn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)o3)ccc2c2nc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3nc21,ClCCl,438.0
5532,CCCC[C@@H](CC)Cn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)o3)ccc2c2nc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3nc21,ClCCl,438.0
10724,Cc1cc(C)c(C2=C3C=C(/C=C/C(=O)OCc4ccccc4)C=[N+]3[B-](F)(F)n3cccc32)c(C)c1,ClCCl,537.0
8986,COc1ccc(-c2cc(OC)cc3c2n[n+](-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(OC)ccc32)cc1,ClCCl,519.0
15006,c1ccc(-c2cccc3c2n[n+](-c2ccccc2)c2ccccc32)cc1,ClCCl,485.0
6893,CCOc1ccc(-[n+]2nc3c(-c4ccccc4)cc(OCC)cc3c3ccccc32)cc1,ClCCl,443.0
9060,COc1ccc(-c2cccc3c2n[n+](-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(OC)ccc32)cc1,ClCCl,580.0
9061,COc1ccc(-c2cccc3c2n[n+](-c2ccccc2)c2cc(OC)ccc32)cc1,ClCCl,552.0
8649,COc1cc(-c2ccccc2)c2n[n+](-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3c2c1,ClCCl,467.0
19,Brc1ccc(-[n+]2nc3c(-c4ccccc4)cc(Br)cc3c3ccccc32)cc1,ClCCl,479.0
8650,COc1cc(-c2ccccc2)c2n[n+](-c3ccc([N+](=O)[O-])cc3)c3ccccc3c2c1,ClCCl,452.0
11735,Clc1ccc(-[n+]2nc3c(-c4ccccc4)cc(Cl)cc3c3ccccc32)cc1,ClCCl,478.0
10887,Cc1ccc(-[n+]2nc3c(-c4ccccc4)cc(C)cc3c3ccccc32)cc1,ClCCl,475.0
8982,COc1ccc(-c2cc(C(C)(C)C)cc3c2n[n+](-c2ccc(C(C)(C)C)cc2)c2cc(OC)ccc32)cc1,ClCCl,538.0
8983,COc1ccc(-c2cc(C)cc3c2n[n+](-c2ccc(C)cc2)c2cc(OC)ccc32)cc1,ClCCl,535.0
11947,FC(F)(F)c1cc(-[n+]2nc3c(-c4ccccc4)cccc3c3ccccc32)cc(C(F)(F)F)c1,ClCCl,503.0
989,CC(C)(C)c1ccc(-[n+]2nc3c(-c4ccccc4)cc(C(C)(C)C)cc3c3ccccc32)cc1,ClCCl,483.0
1143,CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)C)cc5)c5c6c(Oc7ccc(C(C)(C)C)cc7)cc7c8c(cc(Oc9ccc(C(C)(C)C)cc9)c(c2c45)c86)C(=O)C2=C7O[B-](F)(F)[n+]4c2ccc2ccccc24)C2=C(C3=O)c3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,ClCCl,650.0
12305,N#C/C(=C/c1ccc2c(c1)C1CCCC1N2c1ccc(C=C(c2ccccc2)c2ccccc2)cc1)C(=O)O,ClC(Cl)Cl,463.0
12584,N#C/C(=C\c1ccc2c(c1)C1CCCC1N2c1ccc(C=C(c2ccccc2)c2ccccc2)cc1)C(=O)O,ClC(Cl)Cl,464.0
6140,CCN(CC)c1ccc2c(c1)OC1=C(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)CCCC1=C2c1ccccc1C(=O)O,CC#N,726.0
6140,CCN(CC)c1ccc2c(c1)OC1=C(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)CCCC1=C2c1ccccc1C(=O)O,CCO,720.0
6140,CCN(CC)c1ccc2c(c1)OC1=C(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)CCCC1=C2c1ccccc1C(=O)O,CO,720.0
6140,CCN(CC)c1ccc2c(c1)OC1=C(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)CCCC1=C2c1ccccc1C(=O)O,ClC(Cl)Cl,736.0
6462,CCNc1cc2c(cc1C)C(c1ccccc1C(=O)O)=C1CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C1O2,CC#N,716.0
6462,CCNc1cc2c(cc1C)C(c1ccccc1C(=O)O)=C1CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C1O2,CCO,708.0
6462,CCNc1cc2c(cc1C)C(c1ccccc1C(=O)O)=C1CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C1O2,CO,710.0
6462,CCNc1cc2c(cc1C)C(c1ccccc1C(=O)O)=C1CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C1O2,ClC(Cl)Cl,722.0
5906,CCN(C(C)=O)c1cc2c(cc1C)C(c1ccccc1C(=O)O)=C1CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C1O2,CCO,678.0
15045,c1ccc(-c2nc(-c3cccc4ccccc34)n3ccccc23)cc1,O,367.0
15045,c1ccc(-c2nc(-c3cccc4ccccc34)n3ccccc23)cc1,ClCCl,357.0
15045,c1ccc(-c2nc(-c3cccc4ccccc34)n3ccccc23)cc1,C1CCCCC1,362.0
15045,c1ccc(-c2nc(-c3cccc4ccccc34)n3ccccc23)cc1,CC#N,355.0
15045,c1ccc(-c2nc(-c3cccc4ccccc34)n3ccccc23)cc1,CO,350.0
14664,Oc1ccc2ccccc2c1-c1nc(-c2ccccc2)c2ccccn12,C1CCCCC1,361.0
14664,Oc1ccc2ccccc2c1-c1nc(-c2ccccc2)c2ccccn12,CO,343.0
14664,Oc1ccc2ccccc2c1-c1nc(-c2ccccc2)c2ccccn12,ClCCl,362.0
14664,Oc1ccc2ccccc2c1-c1nc(-c2ccccc2)c2ccccn12,O,355.0
5476,CCCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)s2)cc1,ClC(Cl)Cl,498.0
4330,CCCCCCOc1ccc(N(c2ccc(-c3cc4c(s3)c3sc(/C=C(\C#N)C(=O)O)cc3n4-c3ccc(OCCCCCC)cc3OCCCCCC)cc2)c2ccc3c(c2)sc2ccsc23)cc1,ClCCl,531.0
13840,O=C(c1ccc(N2c3ccccc3Sc3ccccc32)cc1)c1ccc2sc3ccccc3c2c1,C1CCOC1,330.0
1860,CC1(C)c2ccccc2N(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N6c7ccccc7C(C)(C)c7ccccc76)cc5)ccc3c3nc(C#N)c(C#N)nc43)cc2)c2ccccc21,Cc1ccccc1,405.0
11404,Cc1ccc(Sc2cc3cccc4ccc5cccc2c5c43)cc1,ClCCl,346.0
11898,Cn1cc(/C=C/C(=O)c2ccccc2)c2ccccc21,CC#N,381.030445
11898,Cn1cc(/C=C/C(=O)c2ccccc2)c2ccccc21,CO,391.7096019
10650,Cc1cc(C)c(/C2=C3\C=CC(=N3)/C(c3c(C)cc(C)cc3C)=c3/cc/c4n3[Zn]n3c2cc2c5cccc6c(C(=O)O)ccc(/c(c23)=C2\C=CC(=N2)/C=4c2c(C)cc(C)cc2C)c65)c(C)c1,ClCCl,682.0
5010,CCCCCCn1c(=O)c2c3nc4cc5sc6c(nc5cc4sc3c3c(=O)n(CCCCCC)c(=O)c3c2c1=O)c1c(=O)n(CCCCCC)c(=O)c1c1c(=O)n(CCCCCC)c(=O)c61,ClCCl,633.0
12667,N#CC(=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)s3)c3n[se]nc23)s1)C(=O)O,C1CCOC1,544.0
4048,CCCCCCN1c2ccc(-c3ccc(OC[C@@H](CC)CCCC)cc3)cc2Sc2cc(-c3ccc(-c4cc5[nH]c6cc([C@H](C#N)C(=O)O)sc6c5s4)c4nn(C[C@@H](CC)CCCC)nc34)ccc21,ClCCl,506.0
11160,Cc1ccc(C2=C3C=CC(n4cnc5ccccc54)=[N+]3[B-](F)(F)n3c2ccc3N2CCOCC2)cc1,ClCCl,484.0
4919,CCCCCCc1ccc(-c2ccc(/C=C/C3=[N+]4C(=C(c5ccc(C(=O)O)cc5)c5c(C)cc(/C=C/c6ccc(-c7ccc(CCCCCC)s7)s6)n5[B-]4(C#CCOCCOC)C#CCOCCOC)C(C)=C3)s2)s1,C1CCOC1,710.0
7410,CN(C)c1ccc(/C=C/C=C/c2ccncc2)cc1,C1COCCO1,392.0
7410,CN(C)c1ccc(/C=C/C=C/c2ccncc2)cc1,CC#N,392.0
7410,CN(C)c1ccc(/C=C/C=C/c2ccncc2)cc1,CCCCCCC,383.0
7410,CN(C)c1ccc(/C=C/C=C/c2ccncc2)cc1,CO,394.0
14946,c1ccc(-c2cc(-c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cn3)nc(-c3ccccc3)n2)cc1,Cc1ccccc1,378.8461538
3373,CCCCCCCCN1C(=O)/C(=C2/C(=O)N(CCCCCCCC)c3cc(-c4ccc(/C=C(/C#N)C(=O)O)s4)ccc32)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc21,ClCCl,584.0
3374,CCCCCCCCN1C(=O)/C(=C2/C(=O)N(CCCCCCCC)c3cc(-c4ccc(/C=C(/C#N)C(=O)O)s4)ccc32)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,ClCCl,563.0
3375,CCCCCCCCN1C(=O)/C(=C2/C(=O)N(CCCCCCCC)c3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc32)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,ClCCl,563.0
4529,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc4c(c3)N(CC(CC)CCCC)C(=O)/C4=C3/C(=O)N(CC(CC)CCCC)c4cc(-c5ccc(/C=C(/C#N)C(=O)O)s5)ccc43)cc2)cc1,ClC(Cl)Cl,450.0
1893,CC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4-3)c3ccccc3S(=O)(=O)c3ccccc32)c2ccccc21,Cc1ccccc1,364.0
3947,CCCCCCN1B2c3c(cccc3-c3cc(-c4ccccc4)ccc3N2CCCCCC)-c2cc(-c3ccccc3)ccc21,ClCCl,342.0
9278,COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1OCc1ccccc1,CS(C)=O,567.0
632,CC(=O)OCOC(=O)CNC(CCCCNC(=O)CCC1=[N+]2C(=Cc3ccc(-c4ccc[nH]4)n3[B-]2(F)F)C=C1)C(=O)OCOC(C)=O,O,575.0
14338,O=[N+]([O-])c1ccc(C#Cc2ccc(-c3ccc(-c4ccc(C#Cc5ccc([N+](=O)[O-])cc5)s4)s3)s2)cc1,Cc1ccccc1,436.0
14338,O=[N+]([O-])c1ccc(C#Cc2ccc(-c3ccc(-c4ccc(C#Cc5ccc([N+](=O)[O-])cc5)s4)s3)s2)cc1,C1CCOC1,436.0
4672,CCCCCC[N+]1=C(/C=C2/C(=O)C(c3ccc(N(CCCC)CCCC)cc3)=C2[O-])c2ccc(C(=O)O)c3cccc1c23,CN(C)C=O,790.0
4672,CCCCCC[N+]1=C(/C=C2/C(=O)C(c3ccc(N(CCCC)CCCC)cc3)=C2[O-])c2ccc(C(=O)O)c3cccc1c23,CS(C)=O,790.0
4672,CCCCCC[N+]1=C(/C=C2/C(=O)C(c3ccc(N(CCCC)CCCC)cc3)=C2[O-])c2ccc(C(=O)O)c3cccc1c23,ClC(Cl)Cl,790.0
12495,N#C/C(=C\c1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)o2)cc1)C(=O)O,CCO,375.0
7075,CCc1ccc(N(c2ccc(CC)cc2)c2ccc(-c3nnc(-c4ccc(C=C(C#N)C(=O)O)cc4)o3)cc2)cc1,CC#N,406.0
7075,CCc1ccc(N(c2ccc(CC)cc2)c2ccc(-c3nnc(-c4ccc(C=C(C#N)C(=O)O)cc4)o3)cc2)cc1,CCCCCC,406.0
1123,CC(C)(C)c1ccc(N(c2ccc(-c3nnc(-c4ccc(C=C(C#N)C(=O)O)cc4)o3)cc2)c2ccc(C(C)(C)C)cc2)cc1,CO,407.0
1123,CC(C)(C)c1ccc(N(c2ccc(-c3nnc(-c4ccc(C=C(C#N)C(=O)O)cc4)o3)cc2)c2ccc(C(C)(C)C)cc2)cc1,CC#N,407.0
1123,CC(C)(C)c1ccc(N(c2ccc(-c3nnc(-c4ccc(C=C(C#N)C(=O)O)cc4)o3)cc2)c2ccc(C(C)(C)C)cc2)cc1,CCCCCC,407.0
7075,CCc1ccc(N(c2ccc(CC)cc2)c2ccc(-c3nnc(-c4ccc(C=C(C#N)C(=O)O)cc4)o3)cc2)cc1,CO,406.0
9597,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3nnc(-c4ccc(C=C(C#N)C(=O)O)cc4)o3)cc2)cc1,CC#N,402.0
9597,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3nnc(-c4ccc(C=C(C#N)C(=O)O)cc4)o3)cc2)cc1,CCCCCC,402.0
9597,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3nnc(-c4ccc(C=C(C#N)C(=O)O)cc4)o3)cc2)cc1,CO,402.0
11240,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3nnc(-c4ccc(C=C(C#N)C(=O)O)cc4)o3)cc2)cc1,CCCCCC,404.0
11240,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3nnc(-c4ccc(C=C(C#N)C(=O)O)cc4)o3)cc2)cc1,CO,404.0
11240,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3nnc(-c4ccc(C=C(C#N)C(=O)O)cc4)o3)cc2)cc1,CC#N,404.0
13709,O=C(O)c1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)o2)cc1,CCO,364.0
12728,N#CC(=Cc1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)o2)cc1)C(=O)O,CCCCCC,397.0
12728,N#CC(=Cc1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)o2)cc1)C(=O)O,CO,397.0
12728,N#CC(=Cc1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)o2)cc1)C(=O)O,CC#N,397.0
14455,O=c1c2cc(F)c(N3CCCCC3)cc2oc2cc(N3CCCCC3)c(F)cc12,CCO,369.0
14472,O=c1c2ccc(N3CCCCC3)cc2oc2cc(N3CCCCC3)ccc12,ClCCl,371.7842324
14472,O=c1c2ccc(N3CCCCC3)cc2oc2cc(N3CCCCC3)ccc12,CO,382.0377358
6987,CC[N+]1=C(C=CC=C2N(CCCCCC(=O)ON3C(=O)CCC3=O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21,O,554.0
177,C(/C=C/c1cc2c3c(c1)CCCN3CCC2)=C\c1ccncc1,CC#N,413.0
177,C(/C=C/c1cc2c3c(c1)CCCN3CCC2)=C\c1ccncc1,CCCCCCC,403.0
177,C(/C=C/c1cc2c3c(c1)CCCN3CCC2)=C\c1ccncc1,CO,419.0
177,C(/C=C/c1cc2c3c(c1)CCCN3CCC2)=C\c1ccncc1,C1COCCO1,413.0
13014,N#Cc1c(N2CCCCC2)cc(-c2ccccc2)c2c1Cc1ccccc1-2,C1CCOC1,358.0
9731,COc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)[n+]1c3ccc(N4CCCCC4)cc3c(-c3ccccc3)c(-c3ccccc3)c21,ClCCl,548.0
2160,CC1=[N+]2C(=C(c3cccs3)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,C1CCCCC1,608.5
2160,CC1=[N+]2C(=C(c3cccs3)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,CCOC(C)=O,605.0
3509,CCCCCCCCOc1ccc(-c2ccc(C(=Cc3ccc(N4c5ccc(-c6ncc(-c7ccc(/C=C(\C#N)C(=O)O)s7)c7nc(-c8ccccc8)c(-c8ccccc8)nc67)cc5C5CCCC54)cc3)c3ccc(-c4ccc(OCCCCCCCC)cc4OCCCCCCCC)cc3)cc2)c(OCCCCCCCC)c1,ClCCl,557.0
3510,CCCCCCCCOc1ccc(-c2ccc(C(=Cc3ccc(N4c5ccc(-c6ncc(-c7ccc(/C=C(\C#N)C(=O)O)s7)c7nc(-c8ccccc8)c(-c8ccccc8)nc67)cc5[C@@H]5CCC[C@@H]54)cc3)c3ccc(-c4ccc(OCCCCCCCC)cc4OCCCCCCCC)cc3)cc2)c(OCCCCCCCC)c1,ClCCl,557.0
12405,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(/C=C(\C#N)c4ccc([N+](=O)[O-])cc4)s3)c3c2C(=O)N(c2ccc(C(=O)O)cc2)C3=O)s1)c1ccc([N+](=O)[O-])cc1,C1CCOC1,632.0
5484,CCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCC)cc4OCCCC)cc3)c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)cc3)cc2)c(OCCCC)c1,ClCCl,532.0
4986,CCCCCCc1nc(-c2nc(CCCCCC)c(-c3ccc(N(c4ccc(/C=C(\C#N)C(=O)O)cc4)c4ccc(/C=C(\C#N)C(=O)O)cc4)cc3)s2)sc1-c1ccc(N(c2ccc(/C=C(\C#N)C(=O)O)cc2)c2ccc(/C=C(\C#N)C(=O)O)cc2)cc1,ClCCl,493.0
12284,N#C/C(=C/c1ccc(-c2ccc3sc4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4c3c2)o1)C(=O)O,C1CCOC1,407.0
4346,CCCCCCOc1ccc(N(c2ccc(/C=C/c3cc4c(s3)c3sc(/C=C(\C#N)C(=O)O)cc3n4-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,510.0
4349,CCCCCCOc1ccc(N(c2ccc(/C=C/c3cc4c(s3)c3sc(C=C(C#N)C(=O)O)cc3n4-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,510.0
8109,COC(=O)/C(C#N)=C/c1ccc(-c2ccc(N(c3ccc(-c4ccc(/C=C(\C#N)C(=O)OC)cc4)cc3)c3ccc(-c4ccc(/C=C(\C#N)C(=O)OC)cc4)cc3)cc2)cc1,C1CCOC1,432.0
10120,C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCCC5)c4F)C=C3CCC2)C(C)(C)c2ccccc21,CCO,707.0
10120,C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCCC5)c4F)C=C3CCC2)C(C)(C)c2ccccc21,ClC(Cl)Cl,721.0
10120,C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCCC5)c4F)C=C3CCC2)C(C)(C)c2ccccc21,O,717.0
10121,C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCCC5CO)c4F)C=C3CCC2)C(C)(C)c2ccccc21,CCO,702.0
10121,C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCCC5CO)c4F)C=C3CCC2)C(C)(C)c2ccccc21,ClC(Cl)Cl,720.0
10121,C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCCC5CO)c4F)C=C3CCC2)C(C)(C)c2ccccc21,O,707.0
5803,CCCN1C(=O)c2c3c(c4c(c2C1=O)CCc1cc(-c2ccc(N(C)C)cc2)c(OC)cc1-4)-c1cc(OC)c(-c2ccc(N(C)C)cc2)cc1CC3,Cc1ccccc1,412.0
5803,CCCN1C(=O)c2c3c(c4c(c2C1=O)CCc1cc(-c2ccc(N(C)C)cc2)c(OC)cc1-4)-c1cc(OC)c(-c2ccc(N(C)C)cc2)cc1CC3,C1CCCCC1,404.0
5803,CCCN1C(=O)c2c3c(c4c(c2C1=O)CCc1cc(-c2ccc(N(C)C)cc2)c(OC)cc1-4)-c1cc(OC)c(-c2ccc(N(C)C)cc2)cc1CC3,C1CCOC1,409.0
5803,CCCN1C(=O)c2c3c(c4c(c2C1=O)CCc1cc(-c2ccc(N(C)C)cc2)c(OC)cc1-4)-c1cc(OC)c(-c2ccc(N(C)C)cc2)cc1CC3,CCOC(C)=O,407.0
12818,N#CC(=Cc1sc(C#Cc2ccc3c(=C4SC=CS4)c4ccccc4c(=C4SC=CS4)c3c2)c2c1OCCO2)C(=O)O,CS(C)=O,419.0
7203,CCn1c2ccccc2c2cc(/N=C/c3ccc(N(c4ccccc4)c4ccc(/C=C(\C#N)C(=O)O)cc4)cc3)ccc21,ClCCl,437.0
185,C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3cccc(-c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1,C1CCOC1,340.0
2496,CCCC1(CCC)c2cc(-c3ccc(-c4ccc(OC)cc4)o3)ccc2-c2ccc(-c3ccc(-c4ccc(OC)cc4)o3)cc21,C1CCCCC1,410.0
12506,N#C/C(=C\c1ccc(/C(C#N)=C/c2ccc3ccc4cccc5ccc2c3c45)s1)C(=O)O,CN(C)C=O,423.0
12869,N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1,C1CCOC1,346.0
12869,N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1,C1COCCO1,346.0
12869,N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1,CCO,346.0
12869,N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1,CCOC(C)=O,346.0
12869,N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1,CN(C)C=O,347.0
12869,N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1,CO,345.0
12869,N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1,Cc1ccccc1,356.0
12869,N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1,ClC(Cl)Cl,352.0
12870,N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,C1CCOC1,354.0
12870,N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,C1COCCO1,353.0
12870,N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,CCO,354.0
12870,N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,CCOC(C)=O,352.0
12870,N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,CN(C)C=O,355.0
12870,N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,CO,351.0
12870,N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,CS(C)=O,356.0
12870,N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,Cc1ccccc1,361.0
12870,N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,ClC(Cl)Cl,359.0
12870,N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,ClCCl,357.0
6516,CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1,C1CCOC1,347.0
6516,CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1,C1COCCO1,348.0
6516,CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1,CCO,347.0
6516,CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1,CCOC(C)=O,346.0
6516,CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1,CN(C)C=O,347.0
6516,CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1,CO,344.0
6516,CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1,CS(C)=O,349.0
6516,CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1,Cc1ccccc1,353.0
6516,CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1,ClC(Cl)Cl,351.0
6516,CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1,ClCCl,348.0
8110,COC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1,C1CCOC1,333.0
8110,COC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1,C1COCCO1,333.0
8110,COC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1,CCO,335.0
8110,COC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1,CCOC(C)=O,330.0
8110,COC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1,CN(C)C=O,330.0
8110,COC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1,CO,330.0
8110,COC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1,CS(C)=O,330.0
8110,COC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1,Cc1ccccc1,347.0
8110,COC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1,ClC(Cl)Cl,339.0
10784,Cc1cc(C)n2c1C=C1C(=O)N(C)C(c3ccc([N+](=O)[O-])cc3)=[N+]1[B-]2(F)F,CCCCCC,498.0
1668,CC1(C)CC(NCc2ccc3ccc4cccc5ccc2c3c45)CC(C)(C)N1,C1CCCCC1,374.0
1668,CC1(C)CC(NCc2ccc3ccc4cccc5ccc2c3c45)CC(C)(C)N1,CC#N,374.0
1668,CC1(C)CC(NCc2ccc3ccc4cccc5ccc2c3c45)CC(C)(C)N1,CO,374.0
1668,CC1(C)CC(NCc2ccc3ccc4cccc5ccc2c3c45)CC(C)(C)N1,ClC(Cl)Cl,389.0
1669,CC1(C)CC(NCc2ccc3ccc4cccc5ccc2c3c45)CC(C)(C)N1[O],C1CCCCC1,342.0
1669,CC1(C)CC(NCc2ccc3ccc4cccc5ccc2c3c45)CC(C)(C)N1[O],CC#N,341.0
1669,CC1(C)CC(NCc2ccc3ccc4cccc5ccc2c3c45)CC(C)(C)N1[O],CO,340.0
1669,CC1(C)CC(NCc2ccc3ccc4cccc5ccc2c3c45)CC(C)(C)N1[O],ClC(Cl)Cl,344.0
3507,CCCCCCCCOc1ccc(-c2c3c4n(c(-c5ccc(OCCCCCCCC)cc5)c3c3n2[B-](c2ccccc2)(c2ccccc2)[n+]2c(ccc5cc(C(C)(C)C)ccc52)C=3C#N)[B-](c2ccccc2)(c2ccccc2)[n+]2c(ccc3cc(C(C)(C)C)ccc32)C=4C#N)cc1,ClC(Cl)Cl,819.0
8839,COc1cc2c(cc1-c1ccncc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccncc2)cc1C4)C(=O)N(CCC(C)C)C3=O,C1CCOC1,407.0
12415,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)OCCO5)c4ccc5c(c4)OCCO5)cc3)s2)cc1)C(=O)O,ClCCl,471.0
4762,CCCCCCc1cc(-c2ccc(N(c3ccc4c(c3)OCCO4)c3ccc4c(c3)OCCO4)cc2)sc1-c1ccc(/C=C(\C#N)C(=O)O)cc1,ClCCl,457.0
2873,CCCCCCC1(CCCCCC)c2cc(-c3cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(/C=C(\C#N)C(=O)O)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,Cc1ccccc1,419.0
2305,CCC1(CC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2ccc(N(c3ccccc3)c3ccc(C=C(C#N)C#N)cc3)cc21,ClCCl,460.0
2890,CCCCCCC1(CCCCCC)c2cc(-c3ccc(C=C(C#N)C#N)s3)ccc2-c2ccc(N(c3ccccc3)c3ccc(C(=O)O)cc3)cc21,C1CCOC1,461.0
4782,CCCCCCc1cc(-c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)sc1/C=C(\C#N)C(=O)O,Cc1ccccc1,452.0
2310,CCC1(CC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,424.0
2310,CCC1(CC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CC#N,408.0
2310,CCC1(CC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CC(C)=O,406.0
2310,CCC1(CC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,469.0
2268,CCC(CC)CCCCOc1ccc2cc(-c3ccc(-c4ccc5c(c4)Sc4cc(-c6ccc(C7=CC=C(/C=C(/C#N)C(=O)O)C7)c7nc(-c8ccccc8)c(-c8ccccc8)nc67)ccc4N5CCCCC(CC)CC)cc3)ccc2c1,C1CCOC1,466.0
2269,CCC(CC)CCCCOc1ccc2cc(-c3ccc(-c4ccc5c(c4)Sc4cc(-c6ccc(C7=CC=C(/C=C(\C#N)C(=O)O)C7)c7nc(-c8ccccc8)c(-c8ccccc8)nc67)ccc4N5CCCCC(CC)CC)cc3)ccc2c1,C1CCOC1,466.0
12712,N#CC(=Cc1ccc(-c2ccc3ccc4cccc5ccc2c3c45)o1)C(=O)O,C1CCOC1,429.0
14494,O=c1c2ccccc2sc2ccccc12,CO,378.0
5931,CCN(CC)c1cc2sc3cc(N(CC)CC)c(F)cc3c(=O)c2cc1F,CCO,393.0
8893,COc1cc2sc3cc(OC)c(F)cc3c(=O)c2cc1F,CS(C)=O,316.0
11504,Cc1ccc2sc3cc(CCC(=O)O)ccc3c(=O)c2c1,CC#N,401.0
11504,Cc1ccc2sc3cc(CCC(=O)O)ccc3c(=O)c2c1,CO,402.0
14494,O=c1c2ccccc2sc2ccccc12,OCCO,382.0
14494,O=c1c2ccccc2sc2ccccc12,c1ccccc1,380.0
14494,O=c1c2ccccc2sc2ccccc12,CC(C)O,377.0
14494,O=c1c2ccccc2sc2ccccc12,CCOC(C)=O,635.0
7292,CN(C)c1cc2sc3cc(N(C)C)c(F)cc3c(=O)c2cc1F,CCO,382.0
1384,CC(C)Nc1cc2sc3cc(NC(C)C)c(F)cc3c(=O)c2cc1F,CCO,377.0
14463,O=c1c2cc(F)c(O)cc2sc2cc(O)c(F)cc12,CCO,377.0
846,CC(C)(C)Nc1cc2sc3cc(NC(C)(C)C)c(F)cc3c(=O)c2cc1F,CCO,373.0
15023,c1ccc(-c2cnn(-c3ccncc3)n2)cc1,CO,300.0
2818,CCCCCC(CC)COc1ccc(-c2ccc(/C(=C\c3ccc(N4c5ccc(-c6cnc(-c7ccc(/C=C(\C#N)C(=O)O)s7)c7nccnc67)cc5C5CCCC54)cc3)c3ccc(-c4ccc(OCC(CC)CCCCC)cc4OC(CC)CCCCC)cc3)cc2)c(OCC(CC)CCCCC)c1,ClCCl,571.0
12652,N#CC(=Cc1ccc(-c2ccc(-c3c4c5ccccc5oc(-c5ccccc5)c-4c4ccccc34)s2)s1)C(=O)O,ClC(Cl)Cl,442.0
15276,c1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccccc4n3)cc2)cc1,ClCCl,370.0
2389,CCC1(CC)c2ccccc2-c2ccc(N3c4ccccc4Sc4ccc(/C=C(/C#N)C(=O)O)cc43)cc21,ClCCl,476.0
2929,CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N3c4ccccc4Sc4cc(/C=C(\C#N)C(=O)O)ccc43)cc21,ClCCl,478.0
2530,CCCC1(CCC)c2ccccc2-c2ccc(N3c4ccccc4Sc4ccc(/C=C(/C#N)C(=O)O)cc43)cc21,ClCCl,477.0
10132,C[N+]1=C(/C=C/C=C2/N(CCCc3ccccc3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21,CS(C)=O,553.0
7182,CCn1c2ccccc2c2cc(-c3ccc(C=C(C#N)C(=O)O)s3)ccc21,CN(C)C=O,390.0
7181,CCn1c2ccccc2c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,CN(C)C=O,408.0
7182,CCn1c2ccccc2c2cc(-c3ccc(C=C(C#N)C(=O)O)s3)ccc21,CCO,411.0
14193,O=P1(c2ccccc2)C2=C(c3ccccc31)S(=O)(=O)c1ccccc12,CCO,386.0
14193,O=P1(c2ccccc2)C2=C(c3ccccc31)S(=O)(=O)c1ccccc12,ClCCl,386.0
14193,O=P1(c2ccccc2)C2=C(c3ccccc31)S(=O)(=O)c1ccccc12,C1CCCCC1,380.0
14193,O=P1(c2ccccc2)C2=C(c3ccccc31)S(=O)(=O)c1ccccc12,CC#N,383.0
5005,CCCCCCn1c(=O)c2c3[nH]c4cc5[nH]c6c(oc5cc4oc3c3c(=O)n(CCCCCC)c(=O)c3c2c1=O)c1c(=O)n(CCCCCC)c(=O)c1c1c(=O)n(CCCCCC)c(=O)c61,ClCCl,511.0
3638,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)s2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(c1ccc(N(c2ccc(-c4cccs4)cc2)c2ccc(-c4cccs4)cc2)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,ClC(Cl)Cl,454.0
3065,CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,Cc1ccccc1,429.0
3065,CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,ClC(Cl)Cl,438.0
2767,CCCCC1(CCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,CCCCCC,418.0
2767,CCCCC1(CCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,CS(C)=O,445.0
2767,CCCCC1(CCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,Cc1ccccc1,437.0
2767,CCCCC1(CCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,ClC(Cl)Cl,445.0
2767,CCCCC1(CCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,C1CCOC1,438.0
2767,CCCCC1(CCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,CC(C)=O,435.0
3065,CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,CCCCCC,419.0
3065,CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,CS(C)=O,437.0
3065,CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,C1CCOC1,433.0
3065,CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,CC(C)=O,429.0
2990,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,C1CCOC1,436.0
2990,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,CC(C)=O,433.0
2990,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,CCCCCC,419.0
2990,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,CS(C)=O,441.0
2990,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,Cc1ccccc1,429.0
2990,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,ClC(Cl)Cl,444.0
15350,c1ccc2c(-c3ccc(-c4nc5c6ccccc6c6ccccc6c5[nH]4)cc3)cncc2c1,C1CCOC1,370.0
15355,c1ccc2c(-c3ccncc3)c3c(nc2c1)-c1cc2c(cc1CC3)-c1nc3ccccc3c(-c3ccncc3)c1CC2,ClC(Cl)Cl,376.0
1419,CC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3cc4c(cc3nc12)C1c2ccccc2C4c2ccccc21)(C(C)C)C(C)C,CCCCCC,558.0
1419,CC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3cc4c(cc3nc12)C1c2ccccc2C4c2ccccc21)(C(C)C)C(C)C,ClCCl,562.0
11564,Cc1cccc2nc3[nH]c(=O)[nH]c(=O)c3nc12,CC#N,380.0
11565,Cc1cccc2nc3c(=O)[nH]c(=O)[nH]c3nc12,C1COCCO1,379.0
11565,Cc1cccc2nc3c(=O)[nH]c(=O)[nH]c3nc12,CC#N,379.0
11565,Cc1cccc2nc3c(=O)[nH]c(=O)[nH]c3nc12,CCO,381.0
11565,Cc1cccc2nc3c(=O)[nH]c(=O)[nH]c3nc12,CO,382.0
11565,Cc1cccc2nc3c(=O)[nH]c(=O)[nH]c3nc12,ClCCCl,380.0
10876,Cc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C,CC#N,380.0
10877,Cc1cc2nc3[nH]c(=O)n(C)c(=O)c3nc2cc1C,CC#N,379.0
10878,Cc1cc2nc3c(=O)[nH]c(=O)n(C)c3nc2cc1C,CC#N,379.0
11109,Cc1ccc(C)c2nc3c(=O)[nH]c(=O)[nH]c3nc12,CC#N,388.0
10880,Cc1cc2nc3c(=O)n(C)c(=O)n(C)c3nc2cc1C,CC#N,375.0
11487,Cc1ccc2nc3[nH]c(=O)[nH]c(=O)c3nc2c1,CC#N,382.0
11487,Cc1ccc2nc3[nH]c(=O)[nH]c(=O)c3nc2c1,ClCCCl,384.0
11488,Cc1ccc2nc3[nH]c(=O)[nH]c(=O)c3nc2c1C,CC#N,388.0
11489,Cc1ccc2nc3c(=O)[nH]c(=O)[nH]c3nc2c1,ClCCCl,368.0
11489,Cc1ccc2nc3c(=O)[nH]c(=O)[nH]c3nc2c1,CC#N,370.0
11490,Cc1ccc2nc3c(=O)[nH]c(=O)[nH]c3nc2c1C,CC#N,375.0
10763,Cc1cc(C)c2nc3[nH]c(=O)[nH]c(=O)c3nc2c1,CC#N,388.0
10764,Cc1cc(C)c2nc3c(=O)[nH]c(=O)[nH]c3nc2c1,CC#N,350.0
11565,Cc1cccc2nc3c(=O)[nH]c(=O)[nH]c3nc12,O,386.0
13182,N#Cc1ccc2nc3[nH]c(=O)[nH]c(=O)c3nc2c1,ClCCCl,387.0
13183,N#Cc1ccc2nc3c(=O)[nH]c(=O)[nH]c3nc2c1,ClCCCl,398.0
14415,O=c1[nH]c(=O)c2nc3ccccc3nc2[nH]1,CC#N,372.0
485,C=C(C)C(CN1C(=O)c2cccc3c2c(cc2oc(C)nc23)C1=O)OO,CCO,362.0
1325,CC(C)=CCN1C(=O)c2cccc3c2c(cc2oc(C)nc23)C1=O,CCO,362.0
7128,CCn1c2cc(-c3ccc(-c4cccs4)s3)ccc2c2ccc(-c3ccc(-c4cccs4)s3)cc21,ClCCl,399.0
7958,CN1C(=CC2=C([O-])C(=Cc3oc(-c4ccc(-c5ccccc5)cc4)c[n+]3C)C2=C(C#N)C#N)C(C)(C)c2ccccc21,ClC(Cl)Cl,648.0
15231,c1ccc(COc2ccc3c(c2)c2cccc4cnc3n42)cc1,CO,438.0
4224,CCCCCCOc1cc2c3c4c1cccc4c1cccc4c(-c5ccc(C6=C7C(=O)N(CC(CC)CCCC)C(c8ccc(-c9ccc(/C=C(/C#N)C(=O)O)s9)cc8)=C7C(=O)N6CC(CC)CCCC)cc5)cc(c3c41)n2CC(CC)CCCC,ClC(Cl)Cl,527.0
4225,CCCCCCOc1cc2c3c4c1cccc4c1cccc4c(-c5ccc(C6=C7C(=O)N(C[C@@H](CC)CCCC)C(c8ccc(-c9ccc(/C=C(\C#N)C(=O)O)s9)cc8)=C7C(=O)N6C[C@H](CC)CCCC)cc5)cc(c3c41)n2C[C@@H](CC)CCCC,ClC(Cl)Cl,527.0
2573,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4cc5c6c7c4cccc7c4cccc7c(OC)cc(c6c74)n5CC(CC)CCCC)cc3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)cc1,ClC(Cl)Cl,527.0
2574,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4cc5c6c7c4cccc7c4cccc7ccc(c6c74)n5CC(CC)CCCC)cc3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)cc1,ClC(Cl)Cl,522.0
5540,CCCC[C@H](CC)CN1C(=O)C2=C(c3ccc(-c4cc5c6c7c4cccc7c4cccc7c(OC)cc(c6c74)n5C[C@@H](CC)CCCC)cc3)N(C[C@@H](CC)CCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)s2)cc1,ClC(Cl)Cl,527.0
5541,CCCC[C@H](CC)CN1C(=O)C2=C(c3ccc(-c4cc5c6c7c4cccc7c4cccc7ccc(c6c74)n5C[C@@H](CC)CCCC)cc3)N(C[C@@H](CC)CCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)s2)cc1,ClC(Cl)Cl,522.0
6355,CCN1C(=O)/C(=c2\s/c(=C/c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)s3)c(=O)n2CC(=O)O)SC1=S,ClC(Cl)Cl,571.0
4896,CCCCCCc1cc2c(s1)c1sc(-c3cc4c(s3)c3sc(/C=C(\C#N)C(=O)O)cc3n4CCCCCC)cc1n2CCCCCC,ClCCl,499.0
4220,CCCCCCOc1cc(OCCCCCC)cc(-n2c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)sc3c3sc(-c4cc5c(s4)c4sc(/C=C(\C#N)C(=O)O)cc4n5-c4ccc(OCCCCCC)cc4OCCCCCC)cc32)c1,ClCCl,536.0
12171,Fc1c(F)c(F)c2c(c1F)C1=Nc3c4c(F)c(F)c(F)c(F)c4c4n3[B-]3(Cl)n5c(c6c(F)c(F)c(F)c(F)c6c5=N4)=NC2=[N+]13,C1CCOC1,572.0
12171,Fc1c(F)c(F)c2c(c1F)C1=Nc3c4c(F)c(F)c(F)c(F)c4c4n3[B-]3(Cl)n5c(c6c(F)c(F)c(F)c(F)c6c5=N4)=NC2=[N+]13,C1COCCO1,572.0
12171,Fc1c(F)c(F)c2c(c1F)C1=Nc3c4c(F)c(F)c(F)c(F)c4c4n3[B-]3(Cl)n5c(c6c(F)c(F)c(F)c(F)c6c5=N4)=NC2=[N+]13,CC#N,570.0
12171,Fc1c(F)c(F)c2c(c1F)C1=Nc3c4c(F)c(F)c(F)c(F)c4c4n3[B-]3(Cl)n5c(c6c(F)c(F)c(F)c(F)c6c5=N4)=NC2=[N+]13,CC(=O)N(C)C,574.0
12171,Fc1c(F)c(F)c2c(c1F)C1=Nc3c4c(F)c(F)c(F)c(F)c4c4n3[B-]3(Cl)n5c(c6c(F)c(F)c(F)c(F)c6c5=N4)=NC2=[N+]13,CC(=O)OC(C)=O,572.0
12171,Fc1c(F)c(F)c2c(c1F)C1=Nc3c4c(F)c(F)c(F)c(F)c4c4n3[B-]3(Cl)n5c(c6c(F)c(F)c(F)c(F)c6c5=N4)=NC2=[N+]13,CC(C)=O,570.0
12171,Fc1c(F)c(F)c2c(c1F)C1=Nc3c4c(F)c(F)c(F)c(F)c4c4n3[B-]3(Cl)n5c(c6c(F)c(F)c(F)c(F)c6c5=N4)=NC2=[N+]13,CCC#N,564.0
12171,Fc1c(F)c(F)c2c(c1F)C1=Nc3c4c(F)c(F)c(F)c(F)c4c4n3[B-]3(Cl)n5c(c6c(F)c(F)c(F)c(F)c6c5=N4)=NC2=[N+]13,CCO,570.0
12171,Fc1c(F)c(F)c2c(c1F)C1=Nc3c4c(F)c(F)c(F)c(F)c4c4n3[B-]3(Cl)n5c(c6c(F)c(F)c(F)c(F)c6c5=N4)=NC2=[N+]13,CCOC(C)=O,570.0
12171,Fc1c(F)c(F)c2c(c1F)C1=Nc3c4c(F)c(F)c(F)c(F)c4c4n3[B-]3(Cl)n5c(c6c(F)c(F)c(F)c(F)c6c5=N4)=NC2=[N+]13,CCOCC,568.0
12171,Fc1c(F)c(F)c2c(c1F)C1=Nc3c4c(F)c(F)c(F)c(F)c4c4n3[B-]3(Cl)n5c(c6c(F)c(F)c(F)c(F)c6c5=N4)=NC2=[N+]13,CN(C)C=O,574.0
12171,Fc1c(F)c(F)c2c(c1F)C1=Nc3c4c(F)c(F)c(F)c(F)c4c4n3[B-]3(Cl)n5c(c6c(F)c(F)c(F)c(F)c6c5=N4)=NC2=[N+]13,CO,568.0
12171,Fc1c(F)c(F)c2c(c1F)C1=Nc3c4c(F)c(F)c(F)c(F)c4c4n3[B-]3(Cl)n5c(c6c(F)c(F)c(F)c(F)c6c5=N4)=NC2=[N+]13,CS(C)=O,574.0
12171,Fc1c(F)c(F)c2c(c1F)C1=Nc3c4c(F)c(F)c(F)c(F)c4c4n3[B-]3(Cl)n5c(c6c(F)c(F)c(F)c(F)c6c5=N4)=NC2=[N+]13,C[N+](=O)[O-],572.0
12171,Fc1c(F)c(F)c2c(c1F)C1=Nc3c4c(F)c(F)c(F)c(F)c4c4n3[B-]3(Cl)n5c(c6c(F)c(F)c(F)c(F)c6c5=N4)=NC2=[N+]13,O=[N+]([O-])c1ccccc1,578.0
12171,Fc1c(F)c(F)c2c(c1F)C1=Nc3c4c(F)c(F)c(F)c(F)c4c4n3[B-]3(Cl)n5c(c6c(F)c(F)c(F)c(F)c6c5=N4)=NC2=[N+]13,c1ccccc1,574.0
12171,Fc1c(F)c(F)c2c(c1F)C1=Nc3c4c(F)c(F)c(F)c(F)c4c4n3[B-]3(Cl)n5c(c6c(F)c(F)c(F)c(F)c6c5=N4)=NC2=[N+]13,c1ccncc1,576.0
1036,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CN(C)C=O,328.0
1036,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,Cc1ccccc1,327.0
1036,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,ClC=C(Cl)Cl,327.0
1036,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,ClCCl,328.0
1036,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,325.0
1036,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,C1COCCO1,325.0
1036,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CC#N,324.0
1036,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCCCCC,325.0
1036,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCCCOCCCC,326.0
1036,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCN(CC)CC,325.0
1036,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCOC(C)=O,324.0
1036,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCOCC,234.0
3066,CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(/C=C(/C#N)C(=O)O)sc2-c2sc(-c3ccc4c(c3)Sc3ccccc3N4CCCC)cc21,ClCCl,532.0
3068,CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc4c(c3)Sc3ccccc3N4CCCC)cc21,ClCCl,532.0
1013,CC(C)(C)c1ccc(-c2cc3c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)oc4c5oc(-c6ccc(F)cc6)c(-c6ccc(F)cc6)c6cc(-c7ccc(C(C)(C)C)cc7)cc(c(c2)c34)c65)cc1,ClCCl,422.0
1014,CC(C)(C)c1ccc(-c2cc3c(-c4ccccc4)c(-c4ccccc4)oc4c5oc(-c6ccccc6)c(-c6ccccc6)c6cc(-c7ccc(C(C)(C)C)cc7)cc(c(c2)c34)c65)cc1,ClCCl,425.0
8989,COc1ccc(-c2cc3c(-c4ccccc4)c(-c4ccccc4)oc4c5oc(-c6ccccc6)c(-c6ccccc6)c6cc(-c7ccc(OC)cc7)cc(c(c2)c34)c65)cc1,ClCCl,375.0
3633,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(c1ccc(N(c2ccc(-c4cccs4)cc2)c2ccc(-c4cccs4)cc2)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,ClC(Cl)Cl,449.0
1424,CC(C)[Si](C#Cc1c2nc3c(nc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc4c(nc12)C1c2ccccc2C4c2ccccc21)C1c2ccccc2C3c2ccccc21)(C(C)C)C(C)C,CCCCCC,450.0
11399,Cc1ccc(S(=O)(=O)Nc2c(/C=C/c3ccccc3)sc(-c3ccc(N(C)C)cc3)c2-c2ccsc2)cc1,CC#N,465.0
6461,CCNc1cc2c(cc1C)C(/C=C1/N(CC)c3ccccc3C1(C)C)=C1CCCC(/C=C/C3=[N+](CC)c4ccccc4C3(C)C)=C1O2,ClCCl,710.0
6314,CCN1/C(=C/C2=C3CCCC(/C=C/C4=[N+](CC)c5ccccc5C4(C)C)=C3Oc3cc(O)ccc32)C(C)(C)c2ccccc21,ClCCl,714.0
6144,CCN(CC)c1ccc2c(c1)OC1=C(/C=C/C3=[N+](CC)c4ccccc4C3(C)C)CCCC1=C2/C=C1/N(CC)c2ccccc2C1(C)C,ClCCl,720.0
6494,CCNc1ccc2c(c1)OC1=C(/C=C/C3=[N+](CC)c4ccccc4C3(C)C)CCCC1=C2/C=C1/N(CC)c2ccccc2C1(C)C,ClCCl,712.0
9297,COc1ccc(/C=C/c2nc(/C=C/c3ccc(N(C)C)cc3)cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1,ClCCl,420.0
9254,COc1ccc(/C=C/c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc(/C=C/c3ccc(N(C)C)cc3)n2)cc1,ClCCl,386.0
269,C(=C/c1cnc2ccccc2n1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,427.0
269,C(=C/c1cnc2ccccc2n1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,423.0
269,C(=C/c1cnc2ccccc2n1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CC#N,425.0
269,C(=C/c1cnc2ccccc2n1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CS(C)=O,436.0
12774,N#CC(=Cc1ccc(N(c2ccc(/C=C/c3ccc(/C=C(\C#N)c4ccc([N+](=O)[O-])cc4)cc3)cc2)c2ccc(/C=C/c3ccc(/C=C(\C#N)c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1)C(=O)O,C1CCOC1,628.0
900,CC(C)(C)c1cc(-n2c(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc3c2cc(-c2ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc2)n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,ClCCl,398.0
14093,O=C1c2cccn2[B-](F)(F)[n+]2ccccc21,C1CCCCC1,395.0
14093,O=C1c2cccn2[B-](F)(F)[n+]2ccccc21,C1CCOC1,375.0
14093,O=C1c2cccn2[B-](F)(F)[n+]2ccccc21,C1COCCO1,379.0
14093,O=C1c2cccn2[B-](F)(F)[n+]2ccccc21,CC#N,368.0
14093,O=C1c2cccn2[B-](F)(F)[n+]2ccccc21,CCOCC,379.0
14093,O=C1c2cccn2[B-](F)(F)[n+]2ccccc21,CN(C)C=O,372.0
14093,O=C1c2cccn2[B-](F)(F)[n+]2ccccc21,CO,377.0
14093,O=C1c2cccn2[B-](F)(F)[n+]2ccccc21,Cc1ccccc1,386.0
14093,O=C1c2cccn2[B-](F)(F)[n+]2ccccc21,ClC(Cl)Cl,389.0
14093,O=C1c2cccn2[B-](F)(F)[n+]2ccccc21,ClCCl,382.0
2911,CCCCCCC1(CCCCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(N(c4ccc5c(c4)Cc4cc(OCCCC)cc(OCCCC)c4-5)c4ccc5c(c4)C(C)(C)c4cc(OCCCC)cc(OCCCC)c4-5)cc3)cc21,CCO,534.0
15016,c1ccc(-c2cnc(-c3ccccc3)o2)cc1,C1CCCCC1,313.0
7346,CN(C)c1ccc(-c2cnc(-c3ccc(S(=O)(=O)NCCN)cc3)o2)cc1,CO,374.0
9078,COc1ccc(-c2cnc(-c3ccccc3)o2)cc1OC,ClCCl,322.0
15016,c1ccc(-c2cnc(-c3ccccc3)o2)cc1,CCOC(C)=O,493.0
8594,CO[Si](OC)(OC)c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(C)C)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)s2)s1,C1CCOC1,419.0
1753,CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc(-c5ccc(/C=C/C=C(/C#N)C(=O)O)s5)s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21,CCO,459.0
1754,CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21,C1CCOC1,402.0
13889,O=C1C(=c2c(=O)c3c4ccccc4cc4cc5ccccc5c2c43)C(=O)c2ccccc21,ClCCl,518.5639229
2615,CCCCC(CC)CN1c2ccc(/C=C/C(=O)O)cc2Sc2cc(/C=C/C3=CC(=C4C(=O)c5ccccc5C4=C(C#N)C#N)C=C(/C=C/c4ccc5c(c4)Sc4cc(/C=C/C(=O)O)ccc4N5CC(CC)CCCC)O3)ccc21,CN(C)C=O,581.0
2616,CCCCC(CC)CN1c2ccc(/C=C\C3=C/C(=C4\C(=O)c5ccccc5C4=C(C#N)C#N)C=C(/C=C/c4ccc5c(c4)Sc4cc(/C=C\C(=O)O)ccc4N5CC(CC)CCCC)O3)cc2Sc2cc(/C=C/C(=O)O)ccc21,CN(C)C=O,581.0
5742,CCCCn1c2ccc(C#N)cc2c2cc(C#N)ccc21,ClCCl,349.0
3850,CCCCCCCCn1c2ccccc2c2cc(C=C(C#N)C(=O)O)ccc21,ClC(Cl)Cl,408.0
8846,COc1cc2c(cc1C=C(C#N)C#N)c1ccccc1n2C,CN(C)C=O,428.0
8846,COc1cc2c(cc1C=C(C#N)C#N)c1ccccc1n2C,C1CCOC1,423.0
8846,COc1cc2c(cc1C=C(C#N)C#N)c1ccccc1n2C,CC#N,422.0
8846,COc1cc2c(cc1C=C(C#N)C#N)c1ccccc1n2C,CS(C)=O,427.0
8846,COc1cc2c(cc1C=C(C#N)C#N)c1ccccc1n2C,Cc1ccccc1,425.0
8846,COc1cc2c(cc1C=C(C#N)C#N)c1ccccc1n2C,ClC(Cl)Cl,430.0
8846,COc1cc2c(cc1C=C(C#N)C#N)c1ccccc1n2C,ClCCl,427.0
8846,COc1cc2c(cc1C=C(C#N)C#N)c1ccccc1n2C,CO,425.0
8846,COc1cc2c(cc1C=C(C#N)C#N)c1ccccc1n2C,CCOC(C)=O,420.0
11893,Cn1c2ccccc2c2ccccc21,C1CCCCC1,347.0
7215,CCn1c2ccccc2c2cc(C=C(C#N)C(=O)O)ccc21,CC#N,385.0
15427,c1ccc2c(c1)[nH]c1ccccc12,CC#N,334.0
15427,c1ccc2c(c1)[nH]c1ccccc12,CCCCCC,331.0
7229,CCn1c2ccccc2c2ccc(C#N)cc21,C1CCCCC1,366.0
7189,CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)O)ccc21,CC#N,385.0
6513,CCOC(=O)/C(C#N)=C/c1cc2c3ccccc3n(C)c2cc1OC,C1CCOC1,407.0
6513,CCOC(=O)/C(C#N)=C/c1cc2c3ccccc3n(C)c2cc1OC,CC#N,410.0
6513,CCOC(=O)/C(C#N)=C/c1cc2c3ccccc3n(C)c2cc1OC,CCOC(C)=O,406.0
6513,CCOC(=O)/C(C#N)=C/c1cc2c3ccccc3n(C)c2cc1OC,CN(C)C=O,417.0
6513,CCOC(=O)/C(C#N)=C/c1cc2c3ccccc3n(C)c2cc1OC,CO,415.0
6513,CCOC(=O)/C(C#N)=C/c1cc2c3ccccc3n(C)c2cc1OC,CS(C)=O,419.0
6513,CCOC(=O)/C(C#N)=C/c1cc2c3ccccc3n(C)c2cc1OC,Cc1ccccc1,407.0
6513,CCOC(=O)/C(C#N)=C/c1cc2c3ccccc3n(C)c2cc1OC,ClC(Cl)Cl,415.0
6513,CCOC(=O)/C(C#N)=C/c1cc2c3ccccc3n(C)c2cc1OC,ClCCl,412.0
5124,CCCCCCn1c2ccccc2c2cc(C=C(C#N)C(=O)O)ccc21,CN(C)C=O,349.0
2725,CCCCC(CC)Cn1c2cc(C#N)ccc2c2ccc(C#N)cc21,ClCCl,387.0
5732,CCCCn1c2ccc(/C=C(\C#N)C(=O)O)cc2c2cc(/C=C(\C#N)C(=O)O)ccc21,ClCCl,398.0
258,C(=C/c1cccnc1)\c1ccc(Nc2ccccc2)cc1,CC#N,358.0
258,C(=C/c1cccnc1)\c1ccc(Nc2ccccc2)cc1,CCCCCC,352.0
11533,Cc1cccc(C)c1Nc1ccc(/C=C/c2cccnc2)cc1,CC#N,351.0
11533,Cc1cccc(C)c1Nc1ccc(/C=C/c2cccnc2)cc1,CCCCCC,346.0
11047,Cc1ccc(/C2=c3\cc/c(o3)=C(\c3ccc(C)cc3)c3ccc([nH]3)-c3ccc4n3[B-](F)(F)[N+]3=C(C=CC3=C4c3ccco3)c3ccc2[nH]3)cc1,ClC(Cl)Cl,722.0
451,C1=Cc2ccc3c4c2N(CCN4B(c2ccccc2)C=C3)B1c1ccccc1,ClCCl,307.0
1636,CC1(C)CC(/C=C/c2ccc(-n3ccnc3)cc2)=CC(=C(C#N)C#N)C1,C1CCOC1,398.0
1636,CC1(C)CC(/C=C/c2ccc(-n3ccnc3)cc2)=CC(=C(C#N)C#N)C1,CC#N,390.0
1636,CC1(C)CC(/C=C/c2ccc(-n3ccnc3)cc2)=CC(=C(C#N)C#N)C1,CCO,391.0
1636,CC1(C)CC(/C=C/c2ccc(-n3ccnc3)cc2)=CC(=C(C#N)C#N)C1,CCOC(C)=O,390.0
1636,CC1(C)CC(/C=C/c2ccc(-n3ccnc3)cc2)=CC(=C(C#N)C#N)C1,ClCCl,393.0
1636,CC1(C)CC(/C=C/c2ccc(-n3ccnc3)cc2)=CC(=C(C#N)C#N)C1,c1ccccc1,397.0
5155,CCCCCCn1nc2c(-c3ccc(C=C(C#N)C(=O)O)cc3)cnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2n1,C1CCOC1,440.0
1271,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2CCCCCCN1c2ccccc2Sc2cc(/C=C/C(=O)O)ccc21,C1CCOC1,376.0
1272,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2CCCCCCN1c2ccccc2Sc2cc(C=C(C(=O)O)C(=O)O)ccc21,C1CCOC1,380.0
5521,CCCCSC1=C(SCCCC)SC(=C(C(=C2SC(SCCCC)=C(SCCCC)S2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)S1,C1CCOC1,488.0
5522,CCCCSC1=C(SCCCC)SC(=C(C(=C2SC(SCCCC)=C(SCCCC)S2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)s2)S1,C1CCOC1,488.0
1697,CC1(C)Cc2c(c3ccccc3c3nc4ccccc4nc23)O1,C1CCCCC1,455.996352
1697,CC1(C)Cc2c(c3ccccc3c3nc4ccccc4nc23)O1,C1CCOC1,459.9816007
1697,CC1(C)Cc2c(c3ccccc3c3nc4ccccc4nc23)O1,CN(C)C=O,457.0383912
1697,CC1(C)Cc2c(c3ccccc3c3nc4ccccc4nc23)O1,CO,458.0852038
1697,CC1(C)Cc2c(c3ccccc3c3nc4ccccc4nc23)O1,ClC(Cl)Cl,459.9816007
1697,CC1(C)Cc2c(c3ccccc3c3nc4ccccc4nc23)O1,c1ccccc1,458.0852038
10259,C[n+]1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C/c4cc[n+](C)cc4)cc3)cc2)cc1,ClCCl,402.0
10259,C[n+]1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C/c4cc[n+](C)cc4)cc3)cc2)cc1,O,509.0
10259,C[n+]1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C/c4cc[n+](C)cc4)cc3)cc2)cc1,OCC(O)CO,496.0
11065,Cc1ccc(/C=C/c2ccccc2-[n+]2noc([O-])c2-c2ccccc2)cc1,C1CCCCC1,316.0
11065,Cc1ccc(/C=C/c2ccccc2-[n+]2noc([O-])c2-c2ccccc2)cc1,CC#N,313.0
11065,Cc1ccc(/C=C/c2ccccc2-[n+]2noc([O-])c2-c2ccccc2)cc1,CCO,315.0
2910,CCCCCCC1(CCCCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(N(c4ccc(-c5ccc(OCCCC)cc5OCCCC)cc4)c4ccc(-c5ccc(OCCCC)cc5OCCCC)cc4)cc3)cc21,CCO,520.0
2910,CCCCCCC1(CCCCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(N(c4ccc(-c5ccc(OCCCC)cc5OCCCC)cc4)c4ccc(-c5ccc(OCCCC)cc5OCCCC)cc4)cc3)cc21,ClCCl,520.0
4249,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4cc5c(s4)-c4sc(/C=C(\C#N)C(=O)O)cc4C5(CCCCCC)CCCCCC)cc3)c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)cc2)c(OCCCCCC)c1,ClCCl,542.0
4250,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4cc5c(s4)-c4sc(C=C(C#N)C(=O)O)cc4C5(CCCCCC)CCCCCC)cc3)c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)cc2)c(OCCCCCC)c1,ClCCl,542.0
2658,CCCCC(CC)COc1ccc(-c2ccc(N(c3ccc(-c4cc5c(s4)-c4sc(/C=C(\C#N)C(=O)O)cc4C5(CC(CC)CCCC)CC(CC)CCCC)cc3)c3ccc(-c4ccc(OCC(CC)CCCC)cc4OCC(CC)CCCC)cc3)cc2)c(OCC(CC)CCCC)c1,ClCCl,543.0
11929,Cn1nc2ccc([N+](=O)[O-])cc2c1-c1ccn(Cc2ccccc2)c1,CC#N,402.0
11929,Cn1nc2ccc([N+](=O)[O-])cc2c1-c1ccn(Cc2ccccc2)c1,ClCCl,398.0
1770,CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)ccc4n(-c4ccccc4)c3cc21,CN(C)C=O,424.0
303,C(=C/c1ncnc2ccccc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,429.0
1061,CC(C)(C)c1ccc(-n2c(-c3ccc(-c4cc(-c5ccccc5)c5c(c4-c4ccccc4)-c4cccc6cccc-5c46)cc3)nc3c4ccccc4c4ccccc4c32)cc1,C1CCOC1,367.0
12794,N#CC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1nc2ccc(C(=O)O)cc2[nH]1,CN(C)C=O,413.0
10933,Cc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1,C1CCOC1,374.0
10933,Cc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1,CC#N,373.0
10933,Cc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1,CCOC(C)=O,374.0
10933,Cc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1,CN(C)C=O,377.0
10933,Cc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1,CO,366.0
10933,Cc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1,CS(C)=O,383.0
10933,Cc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1,ClC(Cl)Cl,370.0
12916,N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccc(Br)cc2)[nH]c1=O,C1CCOC1,377.0
12916,N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccc(Br)cc2)[nH]c1=O,CC#N,373.0
12916,N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccc(Br)cc2)[nH]c1=O,CCOC(C)=O,377.0
12916,N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccc(Br)cc2)[nH]c1=O,CN(C)C=O,388.0
12916,N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccc(Br)cc2)[nH]c1=O,CO,368.0
12916,N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccc(Br)cc2)[nH]c1=O,CS(C)=O,391.0
12916,N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccc(Br)cc2)[nH]c1=O,ClC(Cl)Cl,371.0
12919,N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccc([N+](=O)[O-])cc2)[nH]c1=O,C1CCOC1,395.0
12919,N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccc([N+](=O)[O-])cc2)[nH]c1=O,CC#N,390.0
12919,N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccc([N+](=O)[O-])cc2)[nH]c1=O,CCOC(C)=O,391.0
12919,N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccc([N+](=O)[O-])cc2)[nH]c1=O,CN(C)C=O,437.0
12919,N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccc([N+](=O)[O-])cc2)[nH]c1=O,CO,392.0
12919,N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccc([N+](=O)[O-])cc2)[nH]c1=O,CS(C)=O,448.0
12919,N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccc([N+](=O)[O-])cc2)[nH]c1=O,ClC(Cl)Cl,386.0
8975,COc1ccc(-c2cc(-c3ccccc3)cc3c2n[n+](-c2ccc(-c4ccccc4)cc2)c2cc(OC)ccc32)cc1,ClCCl,545.0
14978,c1ccc(-c2ccc(-[n+]3nc4c(-c5ccccc5)cc(-c5ccccc5)cc4c4ccccc43)cc2)cc1,ClCCl,449.0
11912,Cn1nc(-c2ccc(Cl)cc2)cc1-c1nc2ccc(Cl)cn2c1NC(C)(C)C,ClC(Cl)Cl,345.06
10232,C[Si]1(C)c2cc(-c3cccs3)ccc2C=Cc2ccc(-c3cccs3)cc21,ClCCl,408.0
628,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)Cc1cc2c(cc1OC(C)=O)Oc1cc(OC(C)=O)c(CN(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)cc1C21OC(=O)c2ccccc21,O,494.0
14012,O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(N=C=S)cc21,O,495.0
3034,CCCCCCCCCC1(CCCCCCCCC)c2cc(C#Cc3ccc(C#Cc4ccc(N(CCCCCC)CCCCCC)cc4)cc3)ccc2-c2ccc(C#Cc3ccc(C#Cc4ccc(N(CCCCCC)CCCCCC)cc4)cc3)cc21,Cc1ccccc1,387.0
13325,Nc1ccc(/C=C/c2cccnc2)cc1,CC#N,342.0
13325,Nc1ccc(/C=C/c2cccnc2)cc1,CCCCCC,336.0
2045,CC1=CC(C)=[N+]2C1=C(C1=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c31)c1c(C)cc(C)n1[B-]2(F)F,ClC(Cl)Cl,515.0
15263,c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1,ClCCl,372.0
15477,c1ccc2c(c1)ncc1ccc3cnc4ccccc4c3c12,CC#N,397.0
912,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(C#Cc3ccc(C#Cc4ccc(C(=O)O)cc4)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,C1CCOC1,449.0
6871,CCOP1(=O)C2=CC(=[N+](C)C)C=CC2=C(c2ccccc2C)c2ccc(N(C)C)cc21,O,698.0
6151,CCN(CC)c1ccc2c(c1)P(C)(=O)C1=CC(=[N+](CC)CC)C=CC1=C2c1c(C)cc(C)cc1C,O,696.0
6152,CCN(CC)c1ccc2c(c1)P(C)(=O)C1=CC(=[N+](CC)CC)C=CC1=C2c1ccccc1,O,694.0
6153,CCN(CC)c1ccc2c(c1)P(C)(=O)C1=CC(=[N+](CC)CC)C=CC1=C2c1ccccc1C,O,694.0
9920,COc1cccc(OC)c1C1=C2C=CC(=[N+](C)C)C=C2P(=O)(C(C)(C)C)c2cc(N(C)C)ccc21,O,697.0
11586,Cc1ccccc1C1=C2C=CC(=[N+](C)C)C=C2P(=O)(C(C)(C)C)c2cc(N(C)C)ccc21,O,693.0
11587,Cc1ccccc1C1=C2C=CC(=[N+](C)C)C=C2P(=O)([O-])c2cc(N(C)C)ccc21,O,666.0
4626,CCCCCCOc1cccc(-n2c3ccsc3c3sc(-c4ccc(N(c5ccc(-c6cc7c(s6)c6sccc6n7-c6cccc(OCCCCCC)c6)cc5)c5cc6c7cc(-c8cc9c(s8)c8sc(C=C(C#N)C(=O)O)cc8n9-c8cccc(OCCCCCC)c8)ccc7n(CCCCCC)c6cc5OCCCCCC)cc4)cc32)c1,ClCCl,511.0
2401,CCC12C(=C3C(=C4c5ccccc5S(=O)(=O)C41CC)C(F)(F)C(F)(F)C3(F)F)c1ccccc1S2(=O)=O,C1COCCO1,414.0
5189,CCCCCc1c(/C=C(\C#N)C(=O)O)sc2c1sc1c3sc4c(CCCCC)c(-c5ccc6c(c5)c5ccccc5n6CC(CC)CCCC)sc4c3c3nc4ccccc4nc3c21,C1CCOC1,545.0
3061,CCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(/C=C/C=C(C#N)C#N)c3cccc4c5cccc6c(/C=C/C=C(C#N)C#N)cc1c(c65)c2c34,ClCCl,611.0
3064,CCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(C=C(C#N)C#N)c3cccc4c5cccc6c(C=C(C#N)C#N)cc1c(c65)c2c34,C1CCCCC1,574.0
3064,CCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(C=C(C#N)C#N)c3cccc4c5cccc6c(C=C(C#N)C#N)cc1c(c65)c2c34,CC#N,571.0
3064,CCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(C=C(C#N)C#N)c3cccc4c5cccc6c(C=C(C#N)C#N)cc1c(c65)c2c34,Cc1ccccc1,584.0
3064,CCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(C=C(C#N)C#N)c3cccc4c5cccc6c(C=C(C#N)C#N)cc1c(c65)c2c34,ClCCl,581.0
14885,c1cc2ccc3[nH]c4ccc5cccc6c(c1)c2c3c4c56,ClC(Cl)Cl,425.0
3285,CCCCCCCCCCOC(=O)c1ccc2c3ccc(C(=O)OCCCCCCCCCC)c4c(C(=O)OCCCCCCCCCC)cc5[nH]c6cc(C(=O)OCCCCCCCCCC)c1c2c6c5c43,C1CCOC1,410.0
3061,CCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(/C=C/C=C(C#N)C#N)c3cccc4c5cccc6c(/C=C/C=C(C#N)C#N)cc1c(c65)c2c34,C1CCCCC1,638.0
3061,CCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(/C=C/C=C(C#N)C#N)c3cccc4c5cccc6c(/C=C/C=C(C#N)C#N)cc1c(c65)c2c34,CC#N,599.0
3061,CCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(/C=C/C=C(C#N)C#N)c3cccc4c5cccc6c(/C=C/C=C(C#N)C#N)cc1c(c65)c2c34,Cc1ccccc1,597.0
13604,O=C(O)CN1C(=O)/C(=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)SC1=S,CC#N,401.0
1653,CC1(C)CC(=O)C2=C(C1)Oc1ccc3cc(O)ccc3c1C2c1ccccn1,C1CCOC1,349.0
1653,CC1(C)CC(=O)C2=C(C1)Oc1ccc3cc(O)ccc3c1C2c1ccccn1,C1COCCO1,347.0
1653,CC1(C)CC(=O)C2=C(C1)Oc1ccc3cc(O)ccc3c1C2c1ccccn1,CC#N,349.0
1653,CC1(C)CC(=O)C2=C(C1)Oc1ccc3cc(O)ccc3c1C2c1ccccn1,CCCCCCC,347.0
1653,CC1(C)CC(=O)C2=C(C1)Oc1ccc3cc(O)ccc3c1C2c1ccccn1,CCO,349.0
1653,CC1(C)CC(=O)C2=C(C1)Oc1ccc3cc(O)ccc3c1C2c1ccccn1,CO,349.0
1653,CC1(C)CC(=O)C2=C(C1)Oc1ccc3cc(O)ccc3c1C2c1ccccn1,O,347.0
1654,CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccc(O)cc3c1C2c1ccccn1,C1CCOC1,335.0
1654,CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccc(O)cc3c1C2c1ccccn1,C1COCCO1,335.0
1654,CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccc(O)cc3c1C2c1ccccn1,CC#N,334.0
1654,CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccc(O)cc3c1C2c1ccccn1,CCCCCCC,276.0
1654,CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccc(O)cc3c1C2c1ccccn1,CCO,334.0
1654,CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccc(O)cc3c1C2c1ccccn1,CO,341.0
1654,CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccc(O)cc3c1C2c1ccccn1,O,274.0
1659,CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccccc3c1C2c1ccccn1,C1CCOC1,275.0
1659,CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccccc3c1C2c1ccccn1,C1COCCO1,274.0
1659,CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccccc3c1C2c1ccccn1,CC#N,275.0
1659,CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccccc3c1C2c1ccccn1,CCCCCCC,274.0
1659,CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccccc3c1C2c1ccccn1,CCO,274.0
1659,CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccccc3c1C2c1ccccn1,CO,275.0
1659,CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccccc3c1C2c1ccccn1,O,264.0
7143,CCn1c2ccc(-c3cccs3)cc2c2cc(-c3cccs3)ccc21,ClCCl,345.0
3812,CCCCCCCCn1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,C1CCOC1,453.0
5067,CCCCCCn1c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2c2cc(-c3ccc(/C=C(/C#N)C(=O)O)s3)ccc21,CN(C)C=O,415.0
5068,CCCCCCn1c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,CN(C)C=O,415.0
14192,O=P1(c2ccccc2)C2=C(c3ccccc31)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)ccc12,CC#N,427.0
14192,O=P1(c2ccccc2)C2=C(c3ccccc31)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)ccc12,CO,438.0
14192,O=P1(c2ccccc2)C2=C(c3ccccc31)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)ccc12,Cc1ccccc1,431.0
211,C(=C/c1cc(/C=C/c2ccccc2)cc(/C=C/c2ccccc2)c1)\c1ccccc1,ClCCl,317.0
3424,CCCCCCCCN1c2ccc(-c3ccc(OC)cc3)cc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,C1CCOC1,439.0
3428,CCCCCCCCN1c2ccc(-c3ccccc3)cc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,C1CCOC1,441.0
4045,CCCCCCN1c2ccc(-c3ccc(OC)cc3)cc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,C1CCOC1,442.0
4045,CCCCCCN1c2ccc(-c3ccc(OC)cc3)cc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,ClCCl,471.0
4050,CCCCCCN1c2ccc(-c3ccc(SC)cc3)cc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,C1CCOC1,442.0
4056,CCCCCCN1c2ccc(-c3ccccc3)cc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,ClCCl,466.5
4027,CCCCCCN1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2Sc2cc(-c3ccc(OC)cc3OC)ccc21,C1CCOC1,457.0
4029,CCCCCCN1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2Sc2cc(-c3cccc(OC)c3OC)ccc21,C1CCOC1,443.0
4030,CCCCCCN1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2Sc2cc(-c3ccccc3OC)ccc21,C1CCOC1,459.0
2679,CCCCC(CC)C[Si]1(CC(CC)CCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccc(C)cc4)c4nsnc34)cc21,ClCCl,562.0
4660,CCCCCCSC1=C(SCCCCCC)SC(C2c3ccccc3C(C3SC(SCCCCCC)=C(SCCCCCC)S3)c3cc(C#Cc4ccc(C=C(C#N)C(=O)O)cc4)ccc32)S1,CN(C)C=O,455.0
11719,Cc1sc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)c(C)c1C1=C(c2c(C)n(C)c3ccccc23)C(F)(F)C(F)(F)C1(F)F,C1CCOC1,313.0
10579,Cc1cc(/C=C/c2cccc3cccnc23)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,564.0
12020,F[B-]1(F)OC(C#Cc2ccccc2)=C2CCc3ccccc3C2=[O+]1,ClCCl,431.0
7484,CN(C)c1ccc(C#CC2=C3CCc4ccccc4C3=[O+][B-](F)(F)O2)cc1,ClCCl,514.0
9320,COc1ccc(C#CC2=C3CCc4ccccc4C3=[O+][B-](F)(F)O2)cc1,ClCCl,446.0
9705,COc1ccc2c(c1)CCC1=C(C#Cc3ccc(Cl)cc3)O[B-](F)(F)[O+]=C12,ClCCl,445.0
9706,COc1ccc2c(c1)CCC1=C(C#Cc3ccccc3)O[B-](F)(F)[O+]=C12,ClCCl,443.0
1628,CC1(C)C=C(CS(=O)(=O)O)c2cc3c(cc2=N1)Oc1cc2c(cc1C=3c1cccc(C(=O)O)c1C(=O)O)C(CS(=O)(=O)O)=CC(C)(C)N2,O,276.0
15376,c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21,ClC(Cl)Cl,364.0
5321,CCCCN1C(=O)C2=C(c3ccc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc3)N(CCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)cc2)cc1,ClCCl,511.0
5325,CCCCN1C(=O)C2=C(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)N(CCCC)C(=O)C2=C1c1ccc(-c2ccc(C=C(C#N)C(=O)O)cc2)cc1,ClCCl,500.0
4521,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(C4=C5C(=O)N(CCCCCC)C(c6ccc(-c7ccc(/C=C(\C#N)C(=O)O)cc7)cc6)=C5C(=O)N4CCCCCC)cc3)cc2)cc1,ClCCl,513.0
1167,CC(C)(C)c1ccc2c(N(c3ccccc3)c3cccc4ccccc34)c3cc(C(C)(C)C)ccc3c(-c3ccc(/C=C(\C#N)C(=O)O)s3)c2c1,C1CCOC1,434.0
4988,CCCCCCc1nc(-c2nc(CCCCCC)c(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)s2)sc1C#Cc1ccc(/C=C(\C#N)C(=O)O)cc1,ClCCl,426.0
13473,O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,CN(C)C=O,329.0
13473,O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,CO,328.0
13473,O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,CS(C)=O,335.0
13473,O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,ClCCl,324.0
13473,O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,O,325.0
13473,O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,C1CCOC1,329.0
13473,O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,CC#N,325.0
13473,O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,CCCC#N,325.0
13473,O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,CCO,328.0
12084,F[B-]1(F)n2c(c(Sc3ccccc3)c3c2-c2ccccc2CC3)C=C2C(Sc3ccccc3)=C3CCc4ccccc4C3=[N+]21,CC#N,640.0
12442,N#C/C(=C\c1ccc(-c2ccc(/C3=c4\cc/c5n4[Zn]n4c(ccc4/C(c4ccc(-n6c7ccccc7c7ccccc76)s4)=C4/C=CC(=N4)/C=5c4ccc(-n5c6ccccc6c6ccccc65)s4)/C(c4ccc(-n5c6ccccc6c6ccccc65)s4)=C4/C=CC3=N4)s2)s1)C(=O)O,ClCCl,561.0
13357,Nc1ccc2c(-c3ccc(Cl)s3)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
7675,CN(C)c1ccc2c(-c3cccs3)c3ccc(=[NH2+])cc-3oc2c1,O,545.0
6791,CCOC(=O)c1ccc(C2=C(c3ccccc3)c3sc4ccccc4[n+]3[B-](F)(F)O2)cc1,C1CCOC1,374.0
12038,F[B-]1(F)OC(c2ccccc2)=C(c2ccccc2)c2sc3ccccc3[n+]21,C1CCOC1,360.0
7554,CN(C)c1ccc(C2=C(c3ccccc3)c3sc4ccccc4[n+]3[B-](F)(F)O2)cc1,C1CCOC1,446.0
3866,CCCCCCCCn1nc2c(-c3ccc(/C=C(\C#N)C(=O)O)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3cccc4c3C3C5CCC(C5)C3N4c3ccccc3)c2n1,ClCCl,602.0
3875,CCCCCCCCn1nc2c(-c3ccc(C(=O)O)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3cccc4c3C3C5CCC(C5)C3N4c3ccccc3)c2n1,ClCCl,685.0
10337,Cc1c(COC(=O)Cc2cccc3ccccc23)n2c(OCC(=O)Cc3cccc4ccccc34)c(C)c(=O)n2c1=O,CCO,379.0
6004,CCN(CC)c1ccc(C(=C(c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc2)c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc2)c2ccc(N(CC)CC)cc2)cc1,ClCCl,488.0
6005,CCN(CC)c1ccc(C(=C(c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)c2ccc(N(CC)CC)cc2)cc1,ClCCl,488.0
10638,Cc1cc(C)c(-c2c3ccccc3c3ccc4cc5c(-c6c(C)cc(C)cc6C)c6ccccc6c6ccc7cc2c3c4c7c56)c(C)c1,ClCCl,607.0
12775,N#CC(=Cc1ccc(N(c2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1)C(=O)O,ClCCl,360.0
2976,CCCCCCCCC(CCCCCCCC)n1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)sc2c2sc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc21,C1CCOC1,557.0
3291,CCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCC)c1sc(-c3cc4c5cc(C=C(C#N)C(=O)O)sc5c5ccccc5c4s3)cc1c1cc(-c3ccc4c(c3)C(CCCC)(CCCC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)sc12,C1CCOC1,509.0
8610,COc1c(C)c2c(c(C)c1Cl)Oc1c(C=O)c(O)c(Cl)c(C)c1C(=O)O2,ClC(Cl)Cl,342.0
8720,COc1cc(C)c2c(c1C)OC(=O)c1c(C)c(Cl)c(O)c(Cl)c1O2,ClC(Cl)Cl,342.0
3869,CCCCCCCCn1nc2c(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc(-c3ccc(-c4ccc5c(c4)c4c(-c6ccccc6)c6c(c(-c7ccccc7)c4n5CCCCCC)c4ccccc4n6CCCCCC)s3)c2n1,C1CCOC1,429.0
8690,COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CCCO,426.0
8690,COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CCO,422.0
8690,COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CN(C)C=O,415.0
8690,COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CN(C)P(=O)(N(C)C)N(C)C,428.0
8690,COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CO,417.0
8690,COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CS(C)=O,417.0
8690,COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CC#N,406.0
8690,COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CC(C)=O,409.0
8690,COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CC(C)CO,429.0
8690,COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CC(C)O,428.0
8690,COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CCC#N,409.0
8690,COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CCCCCCO,433.0
8690,COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CCCCCO,432.0
8690,COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CCCCO,428.0
13603,O=C(O)CN1C(=O)/C(=C/c2ccc(-c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c3OCCO4)s2)SC1=S,ClCCl,536.0
5524,CCCCSC1=C(SCCCC)SC(=C(C(=C2SC(SCCCC)=C(SCCCC)S2)c2ccc3c(c2)C(CC)(CC)c2cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc2-3)c2ccc3c(c2)C(CC)(CC)c2cc(-c4ccc(/C=C(/C#N)C(=O)O)s4)ccc2-3)S1,C1CCOC1,439.0
5525,CCCCSC1=C(SCCCC)SC(=C(C(=C2SC(SCCCC)=C(SCCCC)S2)c2ccc3c(c2)C(CC)(CC)c2cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc2-3)c2ccc3c(c2)C(CC)(CC)c2cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc2-3)S1,C1CCOC1,439.0
14154,O=Cc1ccc2c(c1)c1ccccc1n2-c1cc2ccccc2c2ccccc12,CC#N,314.0
14154,O=Cc1ccc2c(c1)c1ccccc1n2-c1cc2ccccc2c2ccccc12,CCCCC,313.0
14154,O=Cc1ccc2c(c1)c1ccccc1n2-c1cc2ccccc2c2ccccc12,Cc1ccccc1,316.0
14154,O=Cc1ccc2c(c1)c1ccccc1n2-c1cc2ccccc2c2ccccc12,ClCCl,321.0
12865,N#CC(C#N)=Cc1ccc2c(c1)c1ccccc1n2-c1cc2ccccc2c2ccccc12,CC#N,395.0
12865,N#CC(C#N)=Cc1ccc2c(c1)c1ccccc1n2-c1cc2ccccc2c2ccccc12,CCCCC,393.0
12865,N#CC(C#N)=Cc1ccc2c(c1)c1ccccc1n2-c1cc2ccccc2c2ccccc12,Cc1ccccc1,402.0
12865,N#CC(C#N)=Cc1ccc2c(c1)c1ccccc1n2-c1cc2ccccc2c2ccccc12,ClCCl,406.0
9166,COc1ccc(-c2ncccn2)cc1,ClCCl,283.0
13380,Nc1ccc2c(c1)C(=O)N(C13C[C@H]4C[C@@H](C1)C[C@@H](C3)C4)C2=O,C1CCCCC1,340.0
13380,Nc1ccc2c(c1)C(=O)N(C13C[C@H]4C[C@@H](C1)C[C@@H](C3)C4)C2=O,C1CCOC1,362.0
13380,Nc1ccc2c(c1)C(=O)N(C13C[C@H]4C[C@@H](C1)C[C@@H](C3)C4)C2=O,CC#N,362.0
13380,Nc1ccc2c(c1)C(=O)N(C13C[C@H]4C[C@@H](C1)C[C@@H](C3)C4)C2=O,CCOC(C)=O,360.0
13380,Nc1ccc2c(c1)C(=O)N(C13C[C@H]4C[C@@H](C1)C[C@@H](C3)C4)C2=O,CO,373.0
13380,Nc1ccc2c(c1)C(=O)N(C13C[C@H]4C[C@@H](C1)C[C@@H](C3)C4)C2=O,CS(C)=O,380.0
13380,Nc1ccc2c(c1)C(=O)N(C13C[C@H]4C[C@@H](C1)C[C@@H](C3)C4)C2=O,Cc1ccccc1,353.0
13380,Nc1ccc2c(c1)C(=O)N(C13C[C@H]4C[C@@H](C1)C[C@@H](C3)C4)C2=O,ClCCl,353.0
1138,CC(C)(C)c1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)cc3C(C)(C)c3cc(C(C)(C)C)ccc32)cc1,C1CCOC1,489.0
1906,CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)cc21,C1CCOC1,486.0
12169,Fc1c(F)c(F)c([B-]2(c3c(F)c(F)c(F)c(F)c3F)Oc3c(ccc4c5c(ccc34)C=[N+](c3ccccc3)[B-](c3c(F)c(F)c(F)c(F)c3F)(c3c(F)c(F)c(F)c(F)c3F)O5)C=[N+]2c2ccccc2)c(F)c1F,C1CCOC1,522.0
12169,Fc1c(F)c(F)c([B-]2(c3c(F)c(F)c(F)c(F)c3F)Oc3c(ccc4c5c(ccc34)C=[N+](c3ccccc3)[B-](c3c(F)c(F)c(F)c(F)c3F)(c3c(F)c(F)c(F)c(F)c3F)O5)C=[N+]2c2ccccc2)c(F)c1F,CC#N,515.0
12169,Fc1c(F)c(F)c([B-]2(c3c(F)c(F)c(F)c(F)c3F)Oc3c(ccc4c5c(ccc34)C=[N+](c3ccccc3)[B-](c3c(F)c(F)c(F)c(F)c3F)(c3c(F)c(F)c(F)c(F)c3F)O5)C=[N+]2c2ccccc2)c(F)c1F,CC(C)=O,515.0
12169,Fc1c(F)c(F)c([B-]2(c3c(F)c(F)c(F)c(F)c3F)Oc3c(ccc4c5c(ccc34)C=[N+](c3ccccc3)[B-](c3c(F)c(F)c(F)c(F)c3F)(c3c(F)c(F)c(F)c(F)c3F)O5)C=[N+]2c2ccccc2)c(F)c1F,Cc1ccccc1,531.0
12169,Fc1c(F)c(F)c([B-]2(c3c(F)c(F)c(F)c(F)c3F)Oc3c(ccc4c5c(ccc34)C=[N+](c3ccccc3)[B-](c3c(F)c(F)c(F)c(F)c3F)(c3c(F)c(F)c(F)c(F)c3F)O5)C=[N+]2c2ccccc2)c(F)c1F,ClCCl,533.0
14373,O=[N+]([O-])c1ccc([N+]2=Cc3ccc4c5c(ccc4c3O[B-]2(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C=[N+](c2ccc([N+](=O)[O-])cc2)[B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)O5)cc1,C1CCOC1,525.0
14373,O=[N+]([O-])c1ccc([N+]2=Cc3ccc4c5c(ccc4c3O[B-]2(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C=[N+](c2ccc([N+](=O)[O-])cc2)[B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)O5)cc1,CC#N,513.0
14373,O=[N+]([O-])c1ccc([N+]2=Cc3ccc4c5c(ccc4c3O[B-]2(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C=[N+](c2ccc([N+](=O)[O-])cc2)[B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)O5)cc1,CC(C)=O,515.0
14373,O=[N+]([O-])c1ccc([N+]2=Cc3ccc4c5c(ccc4c3O[B-]2(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C=[N+](c2ccc([N+](=O)[O-])cc2)[B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)O5)cc1,Cc1ccccc1,549.0
14373,O=[N+]([O-])c1ccc([N+]2=Cc3ccc4c5c(ccc4c3O[B-]2(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C=[N+](c2ccc([N+](=O)[O-])cc2)[B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)O5)cc1,ClCCl,553.0
14374,O=[N+]([O-])c1ccc([N+]2=Cc3ccc4c5c(ccc4c3O[B-]2(c2ccccc2)c2ccccc2)C=[N+](c2ccc([N+](=O)[O-])cc2)[B-](c2ccccc2)(c2ccccc2)O5)cc1,Cc1ccccc1,536.0
14374,O=[N+]([O-])c1ccc([N+]2=Cc3ccc4c5c(ccc4c3O[B-]2(c2ccccc2)c2ccccc2)C=[N+](c2ccc([N+](=O)[O-])cc2)[B-](c2ccccc2)(c2ccccc2)O5)cc1,ClCCl,541.0
6048,CCN(CC)c1ccc([N+]2=Cc3ccc4c5c(ccc4c3O[B-]2(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C=[N+](c2ccc(N(CC)CC)cc2)[B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)O5)cc1,C1CCOC1,559.0
6048,CCN(CC)c1ccc([N+]2=Cc3ccc4c5c(ccc4c3O[B-]2(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C=[N+](c2ccc(N(CC)CC)cc2)[B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)O5)cc1,CC#N,555.0
6048,CCN(CC)c1ccc([N+]2=Cc3ccc4c5c(ccc4c3O[B-]2(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C=[N+](c2ccc(N(CC)CC)cc2)[B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)O5)cc1,CC(C)=O,555.0
6048,CCN(CC)c1ccc([N+]2=Cc3ccc4c5c(ccc4c3O[B-]2(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C=[N+](c2ccc(N(CC)CC)cc2)[B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)O5)cc1,Cc1ccccc1,584.0
6048,CCN(CC)c1ccc([N+]2=Cc3ccc4c5c(ccc4c3O[B-]2(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C=[N+](c2ccc(N(CC)CC)cc2)[B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)O5)cc1,ClCCl,589.0
6049,CCN(CC)c1ccc([N+]2=Cc3ccc4c5c(ccc4c3O[B-]2(c2ccccc2)c2ccccc2)C=[N+](c2ccc(N(CC)CC)cc2)[B-](c2ccccc2)(c2ccccc2)O5)cc1,Cc1ccccc1,558.0
6049,CCN(CC)c1ccc([N+]2=Cc3ccc4c5c(ccc4c3O[B-]2(c2ccccc2)c2ccccc2)C=[N+](c2ccc(N(CC)CC)cc2)[B-](c2ccccc2)(c2ccccc2)O5)cc1,ClCCl,552.0
6050,CCN(CC)c1ccc([N+]2=Cc3ccc4c5c(ccc4c3O[B-]2(c2ccccc2)c2ccccc2)C=[N+](c2ccc([N+](=O)[O-])cc2)[B-](c2ccccc2)(c2ccccc2)O5)cc1,C1CCOC1,547.0
6050,CCN(CC)c1ccc([N+]2=Cc3ccc4c5c(ccc4c3O[B-]2(c2ccccc2)c2ccccc2)C=[N+](c2ccc([N+](=O)[O-])cc2)[B-](c2ccccc2)(c2ccccc2)O5)cc1,CC#N,539.0
6050,CCN(CC)c1ccc([N+]2=Cc3ccc4c5c(ccc4c3O[B-]2(c2ccccc2)c2ccccc2)C=[N+](c2ccc([N+](=O)[O-])cc2)[B-](c2ccccc2)(c2ccccc2)O5)cc1,CC(C)=O,541.0
6050,CCN(CC)c1ccc([N+]2=Cc3ccc4c5c(ccc4c3O[B-]2(c2ccccc2)c2ccccc2)C=[N+](c2ccc([N+](=O)[O-])cc2)[B-](c2ccccc2)(c2ccccc2)O5)cc1,Cc1ccccc1,555.0
6050,CCN(CC)c1ccc([N+]2=Cc3ccc4c5c(ccc4c3O[B-]2(c2ccccc2)c2ccccc2)C=[N+](c2ccc([N+](=O)[O-])cc2)[B-](c2ccccc2)(c2ccccc2)O5)cc1,ClCCl,559.0
471,C1=[N+](c2ccccc2)[B-](c2ccccc2)(c2ccccc2)Oc2c1ccc1c3c(ccc21)C=[N+](c1ccccc1)[B-](c1ccccc1)(c1ccccc1)O3,Cc1ccccc1,536.0
471,C1=[N+](c2ccccc2)[B-](c2ccccc2)(c2ccccc2)Oc2c1ccc1c3c(ccc21)C=[N+](c1ccccc1)[B-](c1ccccc1)(c1ccccc1)O3,ClCCl,529.0
12239,Fc1cccc(F)c1[B-]1(c2c(F)cccc2F)Oc2c(ccc3c4c(ccc23)C=[N+](c2ccccc2)[B-](c2c(F)cccc2F)(c2c(F)cccc2F)O4)C=[N+]1c1ccccc1,Cc1ccccc1,538.0
12239,Fc1cccc(F)c1[B-]1(c2c(F)cccc2F)Oc2c(ccc3c4c(ccc23)C=[N+](c2ccccc2)[B-](c2c(F)cccc2F)(c2c(F)cccc2F)O4)C=[N+]1c1ccccc1,ClCCl,534.0
2097,CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)ON3C(=O)CCC3=O)n1[B-]2(F)F,CO,502.0
1833,CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)sc4c3)cc21,CCO,456.0
14878,c1cc2ccc1-c1ccc(cc1)-c1ccc([se]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc([se]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc([se]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc-2[se]1,C1CCOC1,370.0
12762,N#CC(=Cc1ccc(C2SC(c3ccc(C=C(C#N)C(=O)O)s3)C3NSNC23)s1)C(=O)O,CS(C)=O,600.0
1254,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc43)ccc1n2-c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)s1,ClCCl,413.0
9880,COc1cccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5cccc(OC)c5)n4[B-](F)(F)[N+]2=C3)c1,CC#N,552.0
9880,COc1cccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5cccc(OC)c5)n4[B-](F)(F)[N+]2=C3)c1,ClCCl,563.0
1004,CC(C)(C)c1ccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5ccc(C(C)(C)C)cc5)n4[B-](F)(F)[N+]2=C3)cc1,CC#N,557.0
1004,CC(C)(C)c1ccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5ccc(C(C)(C)C)cc5)n4[B-](F)(F)[N+]2=C3)cc1,CCCCCC,568.0
1004,CC(C)(C)c1ccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5ccc(C(C)(C)C)cc5)n4[B-](F)(F)[N+]2=C3)cc1,CN(C)C=O,566.0
1004,CC(C)(C)c1ccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5ccc(C(C)(C)C)cc5)n4[B-](F)(F)[N+]2=C3)cc1,Cc1ccccc1,573.0
1004,CC(C)(C)c1ccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5ccc(C(C)(C)C)cc5)n4[B-](F)(F)[N+]2=C3)cc1,ClCCl,567.0
8953,COc1ccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5ccc(OC)cc5)n4[B-](F)(F)[N+]2=C3)cc1,CC#N,561.0
8953,COc1ccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5ccc(OC)cc5)n4[B-](F)(F)[N+]2=C3)cc1,CCCCCC,573.0
8953,COc1ccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5ccc(OC)cc5)n4[B-](F)(F)[N+]2=C3)cc1,CN(C)C=O,569.0
8953,COc1ccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5ccc(OC)cc5)n4[B-](F)(F)[N+]2=C3)cc1,Cc1ccccc1,579.0
8953,COc1ccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5ccc(OC)cc5)n4[B-](F)(F)[N+]2=C3)cc1,ClCCl,571.0
9880,COc1cccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5cccc(OC)c5)n4[B-](F)(F)[N+]2=C3)c1,CCCCCC,564.0
9880,COc1cccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5cccc(OC)c5)n4[B-](F)(F)[N+]2=C3)c1,CN(C)C=O,561.0
9880,COc1cccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5cccc(OC)c5)n4[B-](F)(F)[N+]2=C3)c1,Cc1ccccc1,571.0
7307,CN(C)c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccccc3)n2)cc1,C1CCCCC1,368.0
7307,CN(C)c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccccc3)n2)cc1,CS(C)=O,382.0
7307,CN(C)c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccccc3)n2)cc1,ClC(Cl)Cl,379.0
3636,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c1ccc2/C(N(c1ccc2ccccc2c1)c1ccc2ccccc2c1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,646.0
12392,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(-c4cc5c6c(c4)CCCN6CCC5)cc3)s2)s1)C(=O)O,CCO,457.0
11221,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(cc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c5nsnc54)c4nsnc34)cc2)cc1,Cc1ccccc1,520.0
11221,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(cc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c5nsnc54)c4nsnc34)cc2)cc1,ClCCl,518.0
409,C1=C2B(Nc3ccccc31)c1cc(-c3ccc4c(c3)B3Nc5ccccc5C=C3C(c3ccccc3)=C4c3ccccc3)ccc1C(c1ccccc1)=C2c1ccccc1,ClCCl,411.0
2661,CCCCC(CC)COc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCC(CC)CCCC)cc4OCC(CC)CCCC)cc3)c3ccc(-c4sc(-c5ccc(-c6ccc(C=C(C#N)C(=O)O)cc6)c6nc(-c7ccccc7)c(-c7ccccc7)nc56)c5c4OCCO5)cc3)cc2)c(OCC(CC)CCCC)c1,ClCCl,515.0
2641,CCCCC(CC)COc1cc(OCCC(CC)CCC)cc(-c2ccc(N(c3ccc(-c4ccc(OCC(CC)CCCC)cc4OCC(CC)CCCC)cc3)c3ccc(-c4sc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)c6nc(-c7ccccc7)c(-c7ccccc7)nc56)c5c4OCCO5)cc3)cc2)c1,ClCCl,515.0
4552,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(-c4ccc(-c5cc(CCCCCC)c(-c6ccc(C=C(C#N)C(=O)O)cc6)s5)c5nsnc45)cc3CCCCCC)cc2)cc1,ClCCl,530.0
2667,CCCCC(CC)COc1ccc(N(c2ccc(OCC(CC)CCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)s5)c5nsnc45)s3)cc2)cc1,C1CCOC1,530.0
4739,CCCCCCc1cc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(OCC(CC)CCCC)cc5)c5ccc(OCC(CC)CCCC)cc5)cc4)s3)c3nsnc23)sc1-c1ccc(/C=C(\C#N)C(=O)O)cc1,C1CCOC1,530.0
4740,CCCCCCc1cc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(OCC(CC)CCCCC)cc5)c5ccc(OCC(CC)CCCCC)cc5)cc4)s3)c3nsnc23)sc1-c1ccc(/C=C(\C#N)C(=O)O)cc1,C1CCOC1,527.0
2820,CCCCCC(CC)COc1ccc(N(c2ccc(OCC(CC)CCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)s5)c5nsnc45)s3)cc2)cc1,C1CCOC1,535.0
2606,CCCCC(CC)CN1C(=O)c2cccc3c(C#Cc4ccc(N(c5ccccc5)c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)cc4)ccc(c23)C1=O,C1CCCCC1,453.0
2606,CCCCC(CC)CN1C(=O)c2cccc3c(C#Cc4ccc(N(c5ccccc5)c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)cc4)ccc(c23)C1=O,C1CCOC1,451.0
2606,CCCCC(CC)CN1C(=O)c2cccc3c(C#Cc4ccc(N(c5ccccc5)c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)cc4)ccc(c23)C1=O,CC#N,456.0
2606,CCCCC(CC)CN1C(=O)c2cccc3c(C#Cc4ccc(N(c5ccccc5)c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)cc4)ccc(c23)C1=O,Cc1ccccc1,452.0
2606,CCCCC(CC)CN1C(=O)c2cccc3c(C#Cc4ccc(N(c5ccccc5)c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)cc4)ccc(c23)C1=O,ClC(Cl)Cl,466.0
4076,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)ccc21,C1CCOC1,453.0
8041,CN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)ccc21,C1CCOC1,437.0
3410,CCCCCCCCN1C(=O)c2ccc3c4c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc5c6c(ccc(c7c(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc(c2c37)C1=O)c64)C(=O)N(CCCCCCCC)C5=O,ClC(Cl)Cl,645.0
10253,C[n+]1cc2ccc3c[n+](C)c4ccccc4c3c2c2ccccc21,CC#N,465.0
4423,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c3sc(/C=C(\C#N)C(=O)O)cc3n4-c3ccc(N(c4ccc(OCCCCCC)cc4)c4ccc(OCCCCCC)cc4)cc3)cc2)cc1,ClCCl,533.0
5417,CCCCN1c2ccccc2Sc2cc(C#Cc3ccc(C=C(C#N)C(=O)O)s3)ccc21,ClCCl,465.0
10758,Cc1cc(C)c2c(c1)c1cc(C)cc(C)c1n2-c1ccc2c(c1)Oc1ccccc1B2c1c(C(C)C)cc(C(C)C)cc1C(C)C,Cc1ccccc1,418.0
1273,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2CCCCCN1c2ccccc2Sc2cc(/C=C(/C#N)C(=O)O)ccc21,C1CCOC1,435.0
6608,CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1,CC#N,328.0
6608,CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1,CCOC(C)=O,328.0
6608,CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1,CN(C)C=O,332.0
6608,CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1,CS(C)=O,336.0
6608,CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1,c1ccccc1,328.0
4046,CCCCCCN1c2ccc(-c3ccc(OC[C@@H](CC)CCCC)cc3)cc2Sc2cc(-c3cc4[nH]c5cc([C@H](C#N)C(=O)O)sc5c4s3)ccc21,ClCCl,490.0
10594,Cc1cc(/C=C/c2ccnc3ccccc23)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,560.0
11584,Cc1ccccc1C(=O)NN1C2=C(CC3=C1CC(C)(C)CC3=O)C(=O)CC(C)(C)C2,C1CCOC1,370.0
11584,Cc1ccccc1C(=O)NN1C2=C(CC3=C1CC(C)(C)CC3=O)C(=O)CC(C)(C)C2,CC#N,370.0
11584,Cc1ccccc1C(=O)NN1C2=C(CC3=C1CC(C)(C)CC3=O)C(=O)CC(C)(C)C2,CC(C)=O,368.0
11584,Cc1ccccc1C(=O)NN1C2=C(CC3=C1CC(C)(C)CC3=O)C(=O)CC(C)(C)C2,CCCCCO,378.0
11584,Cc1ccccc1C(=O)NN1C2=C(CC3=C1CC(C)(C)CC3=O)C(=O)CC(C)(C)C2,CO,376.0
11584,Cc1ccccc1C(=O)NN1C2=C(CC3=C1CC(C)(C)CC3=O)C(=O)CC(C)(C)C2,ClC(Cl)Cl,370.0
11584,Cc1ccccc1C(=O)NN1C2=C(CC3=C1CC(C)(C)CC3=O)C(=O)CC(C)(C)C2,ClCCl,368.0
13943,O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccc(O)cc1,CC#N,368.0
13943,O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccc(O)cc1,CC(C)=O,368.0
13943,O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccc(O)cc1,CCCCCO,376.0
13943,O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccc(O)cc1,CO,376.0
13943,O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccc(O)cc1,ClC(Cl)Cl,368.0
13943,O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccc(O)cc1,ClCCl,372.0
13944,O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccccc1,C1CCOC1,366.0
13944,O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccccc1,CC#N,368.0
13944,O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccccc1,CC(C)=O,366.0
13944,O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccccc1,CCCCCO,376.0
13944,O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccccc1,CO,374.0
13944,O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccccc1,ClC(Cl)Cl,370.0
9376,COc1ccc(C(=O)NN2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)cc1,CC#N,368.0
9376,COc1ccc(C(=O)NN2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)cc1,CC(C)=O,366.0
9376,COc1ccc(C(=O)NN2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)cc1,CCCCCO,376.0
9376,COc1ccc(C(=O)NN2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)cc1,CO,376.0
9376,COc1ccc(C(=O)NN2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)cc1,ClC(Cl)Cl,366.0
9376,COc1ccc(C(=O)NN2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)cc1,ClCCl,370.0
13944,O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccccc1,ClCCl,364.0
11093,Cc1ccc(C(=O)NN2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)cc1,C1CCOC1,366.0
11093,Cc1ccc(C(=O)NN2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)cc1,CC#N,368.0
11093,Cc1ccc(C(=O)NN2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)cc1,CC(C)=O,366.0
11093,Cc1ccc(C(=O)NN2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)cc1,CCCCCO,376.0
11093,Cc1ccc(C(=O)NN2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)cc1,CO,374.0
11093,Cc1ccc(C(=O)NN2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)cc1,ClC(Cl)Cl,370.0
11093,Cc1ccc(C(=O)NN2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)cc1,ClCCl,366.0
14319,O=[N+]([O-])c1ccc(-c2sc(N3CCCCC3)nc2-c2ccccc2)s1,C1CCOC1,476.0
14319,O=[N+]([O-])c1ccc(-c2sc(N3CCCCC3)nc2-c2ccccc2)s1,CC#N,480.0
10983,Cc1ccc(-c2nc(N3CCCCC3)sc2-c2ccc([N+](=O)[O-])s2)cc1,C1CCOC1,477.0
10983,Cc1ccc(-c2nc(N3CCCCC3)sc2-c2ccc([N+](=O)[O-])s2)cc1,CC#N,483.0
10983,Cc1ccc(-c2nc(N3CCCCC3)sc2-c2ccc([N+](=O)[O-])s2)cc1,CCCCCC,450.0
10983,Cc1ccc(-c2nc(N3CCCCC3)sc2-c2ccc([N+](=O)[O-])s2)cc1,CS(C)=O,501.0
10983,Cc1ccc(-c2nc(N3CCCCC3)sc2-c2ccc([N+](=O)[O-])s2)cc1,Cc1ccccc1,474.0
10983,Cc1ccc(-c2nc(N3CCCCC3)sc2-c2ccc([N+](=O)[O-])s2)cc1,ClCCl,489.0
14319,O=[N+]([O-])c1ccc(-c2sc(N3CCCCC3)nc2-c2ccccc2)s1,CCCCCC,445.0
14319,O=[N+]([O-])c1ccc(-c2sc(N3CCCCC3)nc2-c2ccccc2)s1,CS(C)=O,497.0
14319,O=[N+]([O-])c1ccc(-c2sc(N3CCCCC3)nc2-c2ccccc2)s1,Cc1ccccc1,471.0
14319,O=[N+]([O-])c1ccc(-c2sc(N3CCCCC3)nc2-c2ccccc2)s1,ClCCl,487.0
10161,C[Si](C)(C)C#Cc1cc(C#C[Si](C)(C)C)c2ccc3c(C(=O)c4ccccc4)cc(C#C[Si](C)(C)C)c4ccc1c2c43,ClCCl,426.0
2811,CCCCCC#Cc1cc(C#CCCCCC)c2ccc3c(C(=O)c4ccccc4)cc(C#CCCCCC)c4ccc1c2c43,ClCCl,416.0
9160,COc1ccc(-c2nc3ncccn3c2NC2CCCCC2)cc1,CS(C)=O,365.0
4628,CCCCCCOc1cccc(OCCCCCC)c1/C1=C2\C=CC(=N2)/C(c2ccc(C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C=C1/C=CC(=N1)/C=3c1c(OCCCCCC)cccc1OCCCCCC,ClCCl,591.0
9393,COc1ccc(C2=C(c3ccc(-c4ccccc4)cc3)C(c3ccccc3)=[N+]3C2=Nc2c(-c4ccc(OC)cc4)c(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)n2[B-]3(F)F)cc1,Cc1ccccc1,656.0
1773,CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)cc4)c3cc21,CN(C)C=O,426.0
13617,O=C(O)CN1C(=O)/C(=C/c2ccc3c(c2)C2CCCC2N3c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)SC1=S,ClC(Cl)Cl,514.0
13617,O=C(O)CN1C(=O)/C(=C/c2ccc3c(c2)C2CCCC2N3c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)SC1=S,C1CCOC1,494.0
4086,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(N(c3ccc4c(c3)c3ccccc3n4CCCCCC)c3ccc4c(c3)c3ccccc3n4CCCCCC)ccc21,ClCCl,512.0
11253,Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)cc2)cc1,CN(C)C=O,457.0
9529,COc1ccc(N(c2ccc(/C=C(\C#N)c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)c2ccc(OC)cc2)cc1,ClC(Cl)Cl,525.0
4226,CCCCCCOc1cc2cc(=O)oc3ccc4cccc1c4c23,CC1CCCO1,460.0
14504,O=c1cc2c(Br)c(O)c3cccc4ccc(o1)c2c43,CC1CCCO1,477.0
14505,O=c1cc2c(S(=O)(=O)O)c(O)c3cccc4ccc(o1)c2c43,CC1CCCO1,466.0
14506,O=c1cc2cc(O)c3c(O)ccc4ccc(o1)c2c43,CC1CCCO1,475.0
14507,O=c1cc2cc(O)c3cc(O)cc4ccc(o1)c2c43,CC1CCCO1,476.0
14508,O=c1cc2cc(O)c3cccc4ccc(o1)c2c43,CC1CCCO1,469.0
4624,CCCCCCOc1ccc2ccc3oc(=O)cc4cc(OCCCCCC)c1c2c43,CC1CCCO1,477.0
14536,O=c1oc2ccc3cccc4c(O)c(Cl)c(c1Cl)c2c34,CC1CCCO1,478.0
8603,COc1c(Br)c2cc(=O)oc3ccc4cccc1c4c32,CC1CCCO1,475.0
1527,CC(CO)N1Cc2c(-c3cccs3)c3cc(-c4ccccc4)ccn3c2C1=O,ClCCl,283.0
12034,F[B-]1(F)OC(c2cccc(Br)c2)=Cc2c3ccccc3c3ccccc3[n+]21,ClC(Cl)Cl,432.0
12023,F[B-]1(F)OC(c2ccc(Br)cc2)=Cc2c3ccccc3c3ccccc3[n+]21,ClC(Cl)Cl,435.0
12026,F[B-]1(F)OC(c2ccc(C(F)(F)F)cc2)=Cc2c3ccccc3c3ccccc3[n+]21,ClC(Cl)Cl,430.0
7567,CN(C)c1ccc(C2=Cc3c4ccccc4c4ccccc4[n+]3[B-](F)(F)O2)cc1,C1CCOC1,478.0
7567,CN(C)c1ccc(C2=Cc3c4ccccc4c4ccccc4[n+]3[B-](F)(F)O2)cc1,C1COCCO1,477.0
7567,CN(C)c1ccc(C2=Cc3c4ccccc4c4ccccc4[n+]3[B-](F)(F)O2)cc1,CC#N,476.0
7567,CN(C)c1ccc(C2=Cc3c4ccccc4c4ccccc4[n+]3[B-](F)(F)O2)cc1,CC1CCCCC1,474.0
7567,CN(C)c1ccc(C2=Cc3c4ccccc4c4ccccc4[n+]3[B-](F)(F)O2)cc1,CCOC(C)=O,475.0
7567,CN(C)c1ccc(C2=Cc3c4ccccc4c4ccccc4[n+]3[B-](F)(F)O2)cc1,CCOCC,472.0
7567,CN(C)c1ccc(C2=Cc3c4ccccc4c4ccccc4[n+]3[B-](F)(F)O2)cc1,CN(C)C=O,484.0
7567,CN(C)c1ccc(C2=Cc3c4ccccc4c4ccccc4[n+]3[B-](F)(F)O2)cc1,CO,475.0
7567,CN(C)c1ccc(C2=Cc3c4ccccc4c4ccccc4[n+]3[B-](F)(F)O2)cc1,COC(C)=O,477.0
7567,CN(C)c1ccc(C2=Cc3c4ccccc4c4ccccc4[n+]3[B-](F)(F)O2)cc1,ClC(Cl)Cl,483.0
9448,COc1ccc(C2=Cc3c4ccccc4c4ccccc4[n+]3[B-](F)(F)O2)cc1,ClC(Cl)Cl,444.0
11173,Cc1ccc(C2=Cc3c4ccccc4c4ccccc4[n+]3[B-](F)(F)O2)cc1,ClC(Cl)Cl,437.0
11537,Cc1cccc(C2=Cc3c4ccccc4c4ccccc4[n+]3[B-](F)(F)O2)c1,ClC(Cl)Cl,434.0
12040,F[B-]1(F)OC(c2ccccc2)=Cc2c3ccccc3c3ccccc3[n+]21,ClC(Cl)Cl,432.0
8049,CN1c2ccccc2P(=O)(c2ccccc2)c2c1c1ccccc1c1ccccc21,ClCCl,372.0
4458,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)c6nsnc56)s4)s3)cc2)cc1,ClCCl,515.0
1140,CC(C)(C)c1ccc(N2c3ccccc3Sc3cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)s4)ccc32)cc1,C1CCOC1,446.0
1269,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccs1,ClCCl,340.0
12737,N#CC(=Cc1ccc(-n2c3ccccc3c3ccccc32)s1)C(=O)O,C1CCOC1,400.0
15564,c1csc(-n2c3ccccc3c3ccccc32)c1,ClCCl,333.0
6688,CCOC(=O)c1c(N)sc(/N=C/c2ccc(-c3cccs3)s2)c1C(=O)OCC,CC#N,466.0
9216,COc1ccc(-n2nc(C(=O)c3ccc(Cl)cc3)c(N3CCCC3)n2)cc1,CC#N,381.0
1983,CC1=CC(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)=[N+]2C1=C(c1ccc(C(=O)O)cc1)c1c(C)cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)n1[B-]2(F)F,ClCCl,693.0
3344,CCCCCCCCN(CCCCCCCC)c9ccc(C#Cc7c1CC(C)(C)c(n1)c(c2ccccc2)c3ccc([nH]3)c(C#Cc4ccc(C(=O)O)cc4)c5CC(C)(C)c(n5)c(c6ccccc6)c8ccc7[nH]8)cc9,C1CCOC1,769.0
3075,CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2ccccc2-c2cc3ccc(C=C4C(=O)C(C=C5N(C)c6cc7cc(C(=O)O)ccc7cc6C5(C)C)=C4[O-])[n+](C)c3cc21,ClC(Cl)Cl,715.0
10010,COc1nc(Nc2cc3ccc4cccc5ccc(c2)c3c45)nc(OC)n1,CC#N,336.0
10010,COc1nc(Nc2cc3ccc4cccc5ccc(c2)c3c45)nc(OC)n1,CCCCOCCCC,336.0
10010,COc1nc(Nc2cc3ccc4cccc5ccc(c2)c3c45)nc(OC)n1,CO,334.0
11801,Clc1nc(Cl)nc(Nc2cc3ccc4cccc5ccc(c2)c3c45)n1,CC#N,336.0
11801,Clc1nc(Cl)nc(Nc2cc3ccc4cccc5ccc(c2)c3c45)n1,CCCCOCCCC,336.0
11801,Clc1nc(Cl)nc(Nc2cc3ccc4cccc5ccc(c2)c3c45)n1,CO,334.0
2686,CCCCC(CC)Cc1cc(/C=C(\C#N)C(=O)O)sc1-c1sc(-c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2CC(CC)CCCC)c2c1NC1=C(N2)c2cccc3cccc1c23,Cc1ccccc1,625.0
923,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=c3/cc/c4n3[Zn]n3c2c2nc5ccc6cc(C(=O)O)ccc6c5nc2c3/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,ClCCl,614.0
13563,O=C(O)CCCCCOc1cc2oc(/C=C/c3cc[n+](CCCS(=O)(=O)[O-])cc3)nc2cc1S(=O)(=O)[O-],O,387.0
13566,O=C(O)CCCCCOc1ccc2nc(/C=C/c3cc[n+](CCCS(=O)(=O)[O-])cc3)oc2c1,O,394.0
4532,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc4c(c3)S(=O)(=O)c3cc(-c5csc6cc([C@H](C#N)C(=O)O)sc56)ccc3N4CCCCCC)cc2)cc1,C1CCOC1,424.0
14177,O=P(c1ccccc1)(c1ccccc1)n1c2ccccc2c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc21,C1CCOC1,341.0
3434,CCCCCCCCN1c2ccc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2Sc2cc(C=O)ccc21,C1CCOC1,381.9964621
3434,CCCCCCCCN1c2ccc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2Sc2cc(C=O)ccc21,CC#N,385.9961749
3434,CCCCCCCCN1c2ccc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2Sc2cc(C=O)ccc21,CCCCCC,372.0016835
3434,CCCCCCCCN1c2ccc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2Sc2cc(C=O)ccc21,CO,366.0005975
3434,CCCCCCCCN1c2ccc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2Sc2cc(C=O)ccc21,CS(C)=O,396.0001056
3434,CCCCCCCCN1c2ccc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2Sc2cc(C=O)ccc21,Cc1ccccc1,381.0098682
3434,CCCCCCCCN1c2ccc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2Sc2cc(C=O)ccc21,ClC(Cl)Cl,386.0021466
3435,CCCCCCCCN1c2ccc(C#Cc3ccc(C(F)(F)F)cc3)cc2Sc2cc(C=C(C#N)C(=O)O)ccc21,ClC(Cl)Cl,439.0
3436,CCCCCCCCN1c2ccc(C#Cc3ccc(C(F)(F)F)cc3)cc2Sc2cc(C=O)ccc21,C1CCOC1,384.0061441
3436,CCCCCCCCN1c2ccc(C#Cc3ccc(C(F)(F)F)cc3)cc2Sc2cc(C=O)ccc21,CC#N,380.002855
3436,CCCCCCCCN1c2ccc(C#Cc3ccc(C(F)(F)F)cc3)cc2Sc2cc(C=O)ccc21,CCCCCC,376.00822
3436,CCCCCCCCN1c2ccc(C#Cc3ccc(C(F)(F)F)cc3)cc2Sc2cc(C=O)ccc21,CO,362.0040544
3436,CCCCCCCCN1c2ccc(C#Cc3ccc(C(F)(F)F)cc3)cc2Sc2cc(C=O)ccc21,CS(C)=O,389.9870711
3436,CCCCCCCCN1c2ccc(C#Cc3ccc(C(F)(F)F)cc3)cc2Sc2cc(C=O)ccc21,Cc1ccccc1,381.9948205
3436,CCCCCCCCN1c2ccc(C#Cc3ccc(C(F)(F)F)cc3)cc2Sc2cc(C=O)ccc21,ClC(Cl)Cl,389.9914348
3437,CCCCCCCCN1c2ccc(C#Cc3ccc(F)cc3)cc2Sc2cc(C=O)ccc21,C1CCOC1,377.9978434
3437,CCCCCCCCN1c2ccc(C#Cc3ccc(F)cc3)cc2Sc2cc(C=O)ccc21,CC#N,380.0061931
3437,CCCCCCCCN1c2ccc(C#Cc3ccc(F)cc3)cc2Sc2cc(C=O)ccc21,CCCCCC,375.9991716
3437,CCCCCCCCN1c2ccc(C#Cc3ccc(F)cc3)cc2Sc2cc(C=O)ccc21,CO,350.0024635
3437,CCCCCCCCN1c2ccc(C#Cc3ccc(F)cc3)cc2Sc2cc(C=O)ccc21,CS(C)=O,388.0001712
3437,CCCCCCCCN1c2ccc(C#Cc3ccc(F)cc3)cc2Sc2cc(C=O)ccc21,Cc1ccccc1,381.987518
3437,CCCCCCCCN1c2ccc(C#Cc3ccc(F)cc3)cc2Sc2cc(C=O)ccc21,ClC(Cl)Cl,391.98968
3438,CCCCCCCCN1c2ccc(C#Cc3ccc(OC)cc3)cc2Sc2cc(C=C(C#N)C(=O)O)ccc21,ClC(Cl)Cl,444.0
3439,CCCCCCCCN1c2ccc(C#Cc3ccc(OC)cc3)cc2Sc2cc(C=O)ccc21,C1CCOC1,377.9968059
3439,CCCCCCCCN1c2ccc(C#Cc3ccc(OC)cc3)cc2Sc2cc(C=O)ccc21,CC#N,380.0061931
3439,CCCCCCCCN1c2ccc(C#Cc3ccc(OC)cc3)cc2Sc2cc(C=O)ccc21,CCCCCC,374.0007404
3439,CCCCCCCCN1c2ccc(C#Cc3ccc(OC)cc3)cc2Sc2cc(C=O)ccc21,CO,351.114668
3439,CCCCCCCCN1c2ccc(C#Cc3ccc(OC)cc3)cc2Sc2cc(C=O)ccc21,CS(C)=O,383.4507346
3439,CCCCCCCCN1c2ccc(C#Cc3ccc(OC)cc3)cc2Sc2cc(C=O)ccc21,Cc1ccccc1,382.997322
3439,CCCCCCCCN1c2ccc(C#Cc3ccc(OC)cc3)cc2Sc2cc(C=O)ccc21,ClC(Cl)Cl,382.4973868
4636,CCCCCCSC1=C(SCCCCCC)SC(=C(C(=C2SC(SCCCCCC)=C(SCCCCCC)S2)c2ccc(-c3ccc(-c4ccncc4)s3)cc2)c2ccc(-c3ccc(-c4ccncc4)s3)cc2)S1,C1CCOC1,405.0
7694,CN(C)c1ccc2c(c1)COc1c-2oc2ccccc2c1=O,C1CCCCC1,370.0
7694,CN(C)c1ccc2c(c1)COc1c-2oc2ccccc2c1=O,CC#N,396.0
7694,CN(C)c1ccc2c(c1)COc1c-2oc2ccccc2c1=O,CCOC(C)=O,388.0
7694,CN(C)c1ccc2c(c1)COc1c-2oc2ccccc2c1=O,Cc1ccccc1,385.0
11207,Cc1ccc(N(CC(=O)[O-])CC(=O)[O-])c(OCCOc2cc3cc(-c4ncc(C(=O)[O-])o4)oc3cc2N(CC(=O)[O-])CC(=O)[O-])c1,O,362.0
2000,CC1=CC(Br)=CN2C[n+]3cc(Br)cc(C)c3N=C12,CO,436.0
11,BrC1=CN2C[n+]3cc(Br)cc(Br)c3N=C2C(Br)=C1,CS(C)=O,449.0
12,BrC1=CN2C[n+]3cc(Br)ccc3N=C2C=C1,CO,434.0
11728,ClC1=CN2C[n+]3cc(Cl)ccc3N=C2C=C1,CO,433.0
429,C1=CC2=Nc3cccc[n+]3CN2C=C1,CO,412.0
11572,Cc1ccccc1-c1c2ccc(=[N+]3CCOCC3)cc-2oc2cc(N3CCCCC3)ccc12,CCO,560.0
11572,Cc1ccccc1-c1c2ccc(=[N+]3CCOCC3)cc-2oc2cc(N3CCCCC3)ccc12,ClCCl,559.0
12554,N#C/C(=C\c1ccc(N(c2ccc(/C=C(\C#N)C(=O)O)cc2)c2ccc(N3c4ccccc4Sc4ccccc43)cc2)cc1)C(=O)O,CN(C)C=O,405.0
15281,c1ccc(N(c2ccccc2)c2ccc(-c3ncc(-c4ccc(-c5ccc(-c6cnc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)s6)s5)s4)s3)cc2)cc1,CO,425.0
13681,O=C(O)c1cc(Nc2nc(Cl)nc(Cl)n2)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12,O,492.0
5650,CCCCn1c(-c2ccc(-c3nnc(-c4ccc5ccccc5c4)o3)cc2)nc2c3ccccc3c3ccccc3c21,ClCCl,363.0
13956,O=C1NC(=O)/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)N1,C1CCOC1,427.0
1295,CC(C)(C)c1ccc2oc3nc4oc5cc(-n6c7ccccc7c7ccccc76)ccc5c4cc3c2c1,ClC(Cl)Cl,347.0
1312,CC(C)(C)c1cccc2c1oc1nc3oc4cc(-n5c6ccccc6c6ccccc65)ccc4c3cc12,ClC(Cl)Cl,355.0
192,C(=C/c1[nH+]ccc2ccccc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,512.0
9428,COc1ccc(C2=C3C(C)=CC(C=Cc4ccc(C(=O)OC5C[C@H]6CCC5(C)C6(C)C)cc4)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(C(=O)OC5CC6CCC5(C)C6(C)C)cc4)cc(C)c32)cc1,Cc1ccccc1,640.0
913,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(C#Cc3ccc4c(c3)Cc3ccccc3-4)=c3/cc/c4n3[Zn]n3c(ccc32)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,C1CCOC1,663.0
3644,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(N(CCCCCCCC)CCCCCCCC)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1c(F)c(F)c(-c2ccc(C(=O)O)s2)c2nsnc12)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,698.0
3645,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(N(CCCCCCCC)CCCCCCCC)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1c(F)cc(-c2ccc(C(=O)O)s2)c2nsnc12)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,701.0
3646,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(N(CCCCCCCC)CCCCCCCC)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(-c2ccc(C(=O)O)s2)c2nsnc12)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,699.0
8565,CON(OC)c1cc2c3cc(-c4c(C)cc(C)cc4C)cc4c5cc(-c6c(C)cc(C)cc6C)cc6c7cc(B(c8c(C)cc(C)cc8C)c8c(C)cc(C)cc8C)cc8c9cc(-c%10c(C)cc(C)cc%10C)cc%10c%11cc(-c%12c(C)cc(C)cc%12C)cc%12c(c1)c2c1c(c43)c(c65)c(c78)c(c9%10)c1c%11%12,ClCCl,450.0
8565,CON(OC)c1cc2c3cc(-c4c(C)cc(C)cc4C)cc4c5cc(-c6c(C)cc(C)cc6C)cc6c7cc(B(c8c(C)cc(C)cc8C)c8c(C)cc(C)cc8C)cc8c9cc(-c%10c(C)cc(C)cc%10C)cc%10c%11cc(-c%12c(C)cc(C)cc%12C)cc%12c(c1)c2c1c(c43)c(c65)c(c78)c(c9%10)c1c%11%12,C1CCOC1,452.0
8565,CON(OC)c1cc2c3cc(-c4c(C)cc(C)cc4C)cc4c5cc(-c6c(C)cc(C)cc6C)cc6c7cc(B(c8c(C)cc(C)cc8C)c8c(C)cc(C)cc8C)cc8c9cc(-c%10c(C)cc(C)cc%10C)cc%10c%11cc(-c%12c(C)cc(C)cc%12C)cc%12c(c1)c2c1c(c43)c(c65)c(c78)c(c9%10)c1c%11%12,CC(C)=O,445.0
8565,CON(OC)c1cc2c3cc(-c4c(C)cc(C)cc4C)cc4c5cc(-c6c(C)cc(C)cc6C)cc6c7cc(B(c8c(C)cc(C)cc8C)c8c(C)cc(C)cc8C)cc8c9cc(-c%10c(C)cc(C)cc%10C)cc%10c%11cc(-c%12c(C)cc(C)cc%12C)cc%12c(c1)c2c1c(c43)c(c65)c(c78)c(c9%10)c1c%11%12,CCCCCC,453.0
8565,CON(OC)c1cc2c3cc(-c4c(C)cc(C)cc4C)cc4c5cc(-c6c(C)cc(C)cc6C)cc6c7cc(B(c8c(C)cc(C)cc8C)c8c(C)cc(C)cc8C)cc8c9cc(-c%10c(C)cc(C)cc%10C)cc%10c%11cc(-c%12c(C)cc(C)cc%12C)cc%12c(c1)c2c1c(c43)c(c65)c(c78)c(c9%10)c1c%11%12,Cc1ccccc1,461.0
8565,CON(OC)c1cc2c3cc(-c4c(C)cc(C)cc4C)cc4c5cc(-c6c(C)cc(C)cc6C)cc6c7cc(B(c8c(C)cc(C)cc8C)c8c(C)cc(C)cc8C)cc8c9cc(-c%10c(C)cc(C)cc%10C)cc%10c%11cc(-c%12c(C)cc(C)cc%12C)cc%12c(c1)c2c1c(c43)c(c65)c(c78)c(c9%10)c1c%11%12,ClC(Cl)Cl,449.0
6525,CCOC(=O)/C=C/c1cc2ccc(-c3cn(Cc4ccccc4)nn3)cc2oc1=O,CCO,358.0
10614,Cc1cc(=O)oc2cc(-c3cn(Cc4ccccc4)nn3)ccc12,CCO,329.0
8646,COc1cc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c(OC)cc1-c1ccc(N(C)C)cc1,ClC(Cl)Cl,329.0
7315,CN(C)c1ccc(-c2ccc(-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)cc2)cc1,ClC(Cl)Cl,323.0
14445,O=c1c(N(c2ccccc2)c2ccccc2)c([O-])c1=[N+](c1ccccc1)c1ccccc1,CN(C)C=O,411.0
11216,Cc1ccc(N(c2ccc(C)cc2)c2c([O-])c(=[N+](c3ccc(C)cc3)c3ccc(C)cc3)c2=O)cc1,CN(C)C=O,415.0
9549,COc1ccc(N(c2ccc(C)cc2)c2c([O-])/c(=[N+](\c3ccc(C)cc3)c3ccc(OC)cc3)c2=O)cc1,CN(C)C=O,418.0
2832,CCCCCC1=C2C(C)=C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)C(C)=[N+]2[B-](F)(F)n2c(C)c(-c3ccc(/C=C(\C#N)C(=O)O)o3)c(C)c21,ClC(Cl)Cl,556.0
12077,F[B-]1(F)n2c(Oc3ccccc3)c(Cl)c3c2C(=C2C(Br)=C(Cl)C(Oc4ccccc4)=[N+]21)Oc1ccccc1-3,ClCCl,472.0
11166,Cc1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3c2ccc3N(Cc2ccccc2)Cc2ccccc2)cc1,ClCCl,501.0
4411,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(/C=C(\C#N)C(=O)O)cc3C4(CCCCCC)CCCCCC)s2)cc1,ClC(Cl)Cl,565.0
6312,CCN1/C(=C/C2=C3CCCC(/C=C/C4=[N+](CC)c5ccc6ccccc6c5C4(C)C)=C3Oc3c2cc2c4c3CCCN4CCC2)C(C)(C)c2ccccc21,ClCCl,724.0
4945,CCCCCCc1ccc(/C=C/c2cc(/C=C(\C#N)C(=O)O)sc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)s1,ClC(Cl)Cl,497.0
1417,CC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c(nc12)Cc1ccccc1-3)(C(C)C)C(C)C,CCCCCC,486.0
9715,COc1ccc2c(c1)N(c1ccccc1-c1ccccc1)c1cc3c(cc1=N2)Oc1c(cc(C(C)(C)C)cc1C(C)(C)C)N=3,CCCCCC,559.0
9715,COc1ccc2c(c1)N(c1ccccc1-c1ccccc1)c1cc3c(cc1=N2)Oc1c(cc(C(C)(C)C)cc1C(C)(C)C)N=3,CO,552.0
9715,COc1ccc2c(c1)N(c1ccccc1-c1ccccc1)c1cc3c(cc1=N2)Oc1c(cc(C(C)(C)C)cc1C(C)(C)C)N=3,CC#N,532.0
7213,CCn1c2ccccc2c2cc(C3=[O+][B-](F)(F)OC(C)=C3)ccc21,C1CCOC1,400.0
7213,CCn1c2ccccc2c2cc(C3=[O+][B-](F)(F)OC(C)=C3)ccc21,CC(C)=O,402.0
7213,CCn1c2ccccc2c2cc(C3=[O+][B-](F)(F)OC(C)=C3)ccc21,CO,401.0
7213,CCn1c2ccccc2c2cc(C3=[O+][B-](F)(F)OC(C)=C3)ccc21,Cc1ccccc1,402.0
7213,CCn1c2ccccc2c2cc(C3=[O+][B-](F)(F)OC(C)=C3)ccc21,ClC(Cl)Cl,406.0
7213,CCn1c2ccccc2c2cc(C3=[O+][B-](F)(F)OC(C)=C3)ccc21,ClCCl,406.0
4596,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ncc(-c3cc4c(s3)c(OCCCCCC)c(OCCCCCC)c3sc(/C=C(\C#N)C(=O)O)cc34)s2)cc1,ClC(Cl)Cl,458.0
12879,N#CC(C#N)=c1[nH]c(=O)c(=Cc2ccc(N(c3ccc(-c4cccs4)cc3)c3ccc(-c4cccs4)cc3)cc2)s1,ClCCl,535.0
9185,COc1ccc(-c2sc3c(-c4ccc(OC)cc4)c4n(c3c2-c2ccc(OC)cc2)[B-](F)(F)[N+]2=Cc3c(-c5ccc(OC)cc5)c5sc(-c6ccc(OC)cc6)c(-c6ccc(OC)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,Cc1ccccc1,610.0
9185,COc1ccc(-c2sc3c(-c4ccc(OC)cc4)c4n(c3c2-c2ccc(OC)cc2)[B-](F)(F)[N+]2=Cc3c(-c5ccc(OC)cc5)c5sc(-c6ccc(OC)cc6)c(-c6ccc(OC)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,ClCCl,600.0
9185,COc1ccc(-c2sc3c(-c4ccc(OC)cc4)c4n(c3c2-c2ccc(OC)cc2)[B-](F)(F)[N+]2=Cc3c(-c5ccc(OC)cc5)c5sc(-c6ccc(OC)cc6)c(-c6ccc(OC)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,CN(C)C=O,593.0
9185,COc1ccc(-c2sc3c(-c4ccc(OC)cc4)c4n(c3c2-c2ccc(OC)cc2)[B-](F)(F)[N+]2=Cc3c(-c5ccc(OC)cc5)c5sc(-c6ccc(OC)cc6)c(-c6ccc(OC)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,CC#N,587.0
9185,COc1ccc(-c2sc3c(-c4ccc(OC)cc4)c4n(c3c2-c2ccc(OC)cc2)[B-](F)(F)[N+]2=Cc3c(-c5ccc(OC)cc5)c5sc(-c6ccc(OC)cc6)c(-c6ccc(OC)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,CCCCCC,595.0
1059,CC(C)(C)c1ccc(-c2sc3c(-c4ccc(C(C)(C)C)cc4)c4n(c3c2-c2ccc(C(C)(C)C)cc2)[B-](F)(F)[N+]2=Cc3c(-c5ccc(C(C)(C)C)cc5)c5sc(-c6ccc(C(C)(C)C)cc6)c(-c6ccc(C(C)(C)C)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,Cc1ccccc1,596.0
1059,CC(C)(C)c1ccc(-c2sc3c(-c4ccc(C(C)(C)C)cc4)c4n(c3c2-c2ccc(C(C)(C)C)cc2)[B-](F)(F)[N+]2=Cc3c(-c5ccc(C(C)(C)C)cc5)c5sc(-c6ccc(C(C)(C)C)cc6)c(-c6ccc(C(C)(C)C)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,ClCCl,591.0
1059,CC(C)(C)c1ccc(-c2sc3c(-c4ccc(C(C)(C)C)cc4)c4n(c3c2-c2ccc(C(C)(C)C)cc2)[B-](F)(F)[N+]2=Cc3c(-c5ccc(C(C)(C)C)cc5)c5sc(-c6ccc(C(C)(C)C)cc6)c(-c6ccc(C(C)(C)C)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,CC#N,574.0
1059,CC(C)(C)c1ccc(-c2sc3c(-c4ccc(C(C)(C)C)cc4)c4n(c3c2-c2ccc(C(C)(C)C)cc2)[B-](F)(F)[N+]2=Cc3c(-c5ccc(C(C)(C)C)cc5)c5sc(-c6ccc(C(C)(C)C)cc6)c(-c6ccc(C(C)(C)C)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,CCCCCC,591.0
1059,CC(C)(C)c1ccc(-c2sc3c(-c4ccc(C(C)(C)C)cc4)c4n(c3c2-c2ccc(C(C)(C)C)cc2)[B-](F)(F)[N+]2=Cc3c(-c5ccc(C(C)(C)C)cc5)c5sc(-c6ccc(C(C)(C)C)cc6)c(-c6ccc(C(C)(C)C)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,CN(C)C=O,584.0
14173,O=P(c1ccccc1)(c1ccccc1)c1ccc(N2c3ccccc3Oc3ccccc32)cc1,Cc1ccccc1,368.0
1396,CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c(ccc4ccccc43)nc12)(C(C)C)C(C)C,CCCCCC,656.0
4329,CCCCCCOc1ccc(N(c2ccc(-c3cc(-c4ccc(N(c5ccc(OCCCCCC)cc5)c5ccc(-c6ccc(-c7ccc(/C=C(/C#N)C(=O)O)s7)s6)cc5)cc4)cc(N(c4ccc(OCCCCCC)cc4)c4ccc(OCCCCCC)cc4)c3)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)cc2)cc1,C1CCOC1,440.0
2056,CC1=CC(C)=[N+]2C1=C(c1ccc(Br)cc1)c1c(C)cc(/C=C/c3ccc[nH]3)n1[B-]2(F)F,ClCCl,590.0
10930,Cc1ccc(-c2c3nc(c(-c4ccco4)c4ccc(s4)c(-c4ccco4)c4nc(c(-c5ccco5)c5ccc2s5)C=C4)C=C3)cc1,ClCCl,452.0
13602,O=C(O)CN1C(=O)/C(=C/c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)SC1=S,CCO,421.0
8930,COc1ccc(-c2c3cc4ccccc4cc3c(-c3ccc(OC)cc3)c3cc4sc(C)cc4cc23)cc1,ClCCl,550.0
3506,CCCCCCCCOc1ccc(-c2c3c4n(c(-c5ccc(OCCCCCCCC)cc5)c3c3n2[B-](F)(F)[n+]2ccccc2N=3)[B-](F)(F)[n+]2ccccc2N=4)cc1,ClC(Cl)Cl,638.0
15469,c1ccc2c(c1)nc1c3c4ccccc4c4ccccc4c3c3ccccc3n21,CC#N,373.0
11329,Cc1ccc(N2c3ccc(-c4ncc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)cc3[C@@H]3CCC[C@@H]32)cc1,ClC(Cl)Cl,576.0
11330,Cc1ccc(N2c3ccc(-c4ncc(-c5ccc(C=C(C#N)C(=O)O)s5)c5nsnc45)cc3C3CCCC32)cc1,ClC(Cl)Cl,576.0
8530,COCCOCCOCN1C(=O)c2ccc3c(-c4ccccc4)c4c5ccc6c7c(ccc(c(-c8ccccc8)c4c4ccc(c2c34)C1=O)c75)C(=O)N(COCCOCCOC)C6=O,ClCCl,630.0
1339,CC(C)CCCC(C)CCN1C(=O)c2ccc3c(-c4ccccc4)c4c5ccc6c7c(ccc(c(-c8ccccc8)c4c4ccc(c2c34)C1=O)c75)C(=O)N(CCC(C)CCCC(C)C)C6=O,ClCCl,630.0
14861,c1cc2c3c(cccc3c1)C(N1CCOCCOCCN(C3=Nc4cccc5cccc3c45)CCOCC1)=N2,CC#N,427.0
1945,CC1=C(c2ccc(C=C(C#N)C(=O)O)s2)C(C)=[N+]2C1=C(C)c1c(C)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(C)n1[B-]2(F)F,ClC(Cl)Cl,537.0
9560,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3c(C)c4n(c3C)[B-](F)(F)[N+]3=C(C)C(c5ccc(C=C(C#N)C(=O)O)s5)=C(C)C3=C4C)cc2)cc1,ClC(Cl)Cl,545.0
3960,CCCCCCN1C(=O)/C(=c2\s/c(=C/c3c(-c4ccc(CO)cc4)c(C)c4ccccn34)c(=O)n2CC(=O)O)SC1=S,ClCCl,616.0
1936,CC1=C(C2=C(C)C(C)=[N+]3C2=Cc2cc(C)c(C)n2[B-]3(F)F)C2=Cc3cc(C)c(C)n3[B-](F)(F)[N+]2=C1C,ClCCl,557.0
7992,CN1C(=Cc2c([O-])c(=O)/c2=N\C#N)C(C)(C)c2ccccc21,CCO,436.0
3027,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3ccccc3-4)cc21,CC#N,345.0
3027,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3ccccc3-4)cc21,CC(C)=O,345.0
3027,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3ccccc3-4)cc21,CCCCCC,347.0
3027,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3ccccc3-4)cc21,CCCCOCCCC,347.0
3027,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3ccccc3-4)cc21,CCN(CC)CC,347.0
3027,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3ccccc3-4)cc21,CCOC(C)=O,345.0
3027,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3ccccc3-4)cc21,CCOCC,345.0
3027,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3ccccc3-4)cc21,CN(C)C=O,345.0
3027,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3ccccc3-4)cc21,Cc1ccccc1,348.0
3027,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3ccccc3-4)cc21,ClCCl,348.0
3027,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3ccccc3-4)cc21,C1CCOC1,347.0
10434,Cc1cc(/C=C/C2CCCCC2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,525.0
5405,CCCCN1c2ccccc2Sc2cc(-c3sc(/C=C(\C#N)C(=O)O)c4c3OCCO4)ccc21,ClCCl,466.0
4997,CCCCCCc1sc(-c2ccc3c(c2)Sc2cc(/C=C(\C#N)C(=O)O)ccc2N3CCCCCC)c2c1OCCO2,ClCCl,466.0
7309,CN(C)c1ccc(-c2cc(-c3cccs3)nc(-c3ccccc3)n2)cc1,ClC(Cl)Cl,371.0
4242,CCCCCCOc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc(OCCCCCC)cc6)s5)cc4)c4ccc(-c5sc(/C=C6/SC(=S)N(CC(=O)O)C6=O)c6c5OCCO6)cc4)cc3)s2)cc1,ClC(Cl)Cl,537.0
15268,c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccccc4[nH+]3)cc2)cc1,ClC(Cl)Cl,467.0
5728,CCCCn1c2ccc(-c3cccs3)cc2c2c1c1c3ccc(-c4cccs4)cc3n(CCCC)c1c1c3ccc(-c4cccs4)cc3n(CCCC)c21,C1CCOC1,337.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,C1CCOC1,458.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,CC#N,456.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,CC(C)=O,454.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,CC(C)O,471.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,CCCCO,473.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,CCCCOC(C)=O,442.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,CCCO,473.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,CCO,472.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,CCOC(=O)c1ccccc1,459.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,CCOC(C)=O,446.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,CCOCC,438.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,CN(C)C=O,464.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,CO,473.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,CS(C)=O,471.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,Cc1ccccc1,455.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,ClC(Cl)(Cl)Cl,446.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,ClC(Cl)Cl,469.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,ClCCl,464.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,Clc1ccccc1Cl,465.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,O=C1CCCC1,460.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,S=C=S,464.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,c1ccccc1,457.0
7468,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C#N)cc3)C2=O)cc1,c1ccncc1,467.0
7469,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,C1CCOC1,453.0
7469,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,C1COCCO1,452.0
7469,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CC#N,460.0
7469,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CC(C)=O,456.0
7469,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CC(C)O,473.0
7469,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCO,478.0
7469,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCOC(C)=O,450.0
7469,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CN(C)C=O,466.0
7469,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CO,479.0
7469,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CS(C)=O,474.0
7469,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,Cc1ccccc1,452.0
7469,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,ClC(Cl)(Cl)Cl,447.0
7469,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,ClC(Cl)Cl,468.0
7469,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,ClCCl,464.0
7469,CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,S=C=S,463.0
8198,COC(=O)C1=NNC(C(=O)OC)=C2c3ccccc3C(=O)c3ccccc3C12,CC#N,391.0
3621,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(-c3ccc(C(=O)O)cc3)c3nsnc23)=c2/cc/c3n2[Zn]n2c1ccc2/C(N(c1ccc(CCCCCC)cc1)c1ccc(CCCCCC)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,665.0
13870,O=C1/C(=C2\Sc3ccc(S(=O)(=O)Cl)cc3C2=O)Sc2ccc(S(=O)(=O)Cl)cc21,C1COCCO1,526.0
13870,O=C1/C(=C2\Sc3ccc(S(=O)(=O)Cl)cc3C2=O)Sc2ccc(S(=O)(=O)Cl)cc21,CS(C)=O,553.0
13872,O=C1/C(=C2\Sc3ccc(S(=O)(=O)O)cc3C2=O)Sc2ccc(S(=O)(=O)O)cc21,CO,553.0
13872,O=C1/C(=C2\Sc3ccc(S(=O)(=O)O)cc3C2=O)Sc2ccc(S(=O)(=O)O)cc21,CS(C)=O,553.0
13872,O=C1/C(=C2\Sc3ccc(S(=O)(=O)O)cc3C2=O)Sc2ccc(S(=O)(=O)O)cc21,O,546.0
513,C=CCNS(=O)(=O)c1ccc2c(c1)C(=O)/C(=C1\Sc3ccc(S(=O)(=O)NCC=C)cc3C1=O)S2,CN(C)C=O,542.0
513,C=CCNS(=O)(=O)c1ccc2c(c1)C(=O)/C(=C1\Sc3ccc(S(=O)(=O)NCC=C)cc3C1=O)S2,CS(C)=O,544.0
836,CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)/C(=C1\Sc3ccc(S(=O)(=O)NC(C)(C)C)cc3C1=O)S2,CS(C)=O,546.0
836,CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)/C(=C1\Sc3ccc(S(=O)(=O)NC(C)(C)C)cc3C1=O)S2,C1COCCO1,538.0
836,CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)/C(=C1\Sc3ccc(S(=O)(=O)NC(C)(C)C)cc3C1=O)S2,CN(C)C=O,543.0
13872,O=C1/C(=C2\Sc3ccc(S(=O)(=O)O)cc3C2=O)Sc2ccc(S(=O)(=O)O)cc21,C1COCCO1,530.0
13872,O=C1/C(=C2\Sc3ccc(S(=O)(=O)O)cc3C2=O)Sc2ccc(S(=O)(=O)O)cc21,CN(C)C=O,551.0
13873,O=C1/C(=C2\Sc3ccccc3C2=O)Sc2ccccc21,C1COCCO1,536.0
13873,O=C1/C(=C2\Sc3ccccc3C2=O)Sc2ccccc21,CN(C)C=O,543.0
13873,O=C1/C(=C2\Sc3ccccc3C2=O)Sc2ccccc21,CO,538.0
13873,O=C1/C(=C2\Sc3ccccc3C2=O)Sc2ccccc21,CS(C)=O,545.0
13873,O=C1/C(=C2\Sc3ccccc3C2=O)Sc2ccccc21,c1ccccc1,544.0
7624,CN(C)c1ccc(N=Nc2ccc(C(=O)O)cc2)cc1,CCO,428.0
6878,CCO[Si](OCC)(OCC)c1ccc(N=Nc2ccc(N(C)C)cc2)cc1,CCO,416.0
7897,CN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1,CO,487.0
7897,CN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1,OCC(O)CO,509.0
6035,CCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,CC#N,486.0
6036,CCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2OC)cc1,CC#N,496.0
6037,CCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,CC#N,528.0
7897,CN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1,OCCO,498.0
6039,CCN(CC)c1ccc(N=Nc2ccccc2C(=O)O)cc1,CCO,503.0
7897,CN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1,Oc1ccccc1,548.0
13753,O=C(O)c1ccc(N=Nc2ccccc2)cc1,CC#N,444.0
14881,c1cc2ccc1-c1ccc(cc1)-c1ccc(s1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(s1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc-2s1,C1CCOC1,346.0
5427,CCCCNc1ccc2c3c(cccc13)C(=O)N(c1ccc(O)cc1)C2=O,CC#N,430.0
5427,CCCCNc1ccc2c3c(cccc13)C(=O)N(c1ccc(O)cc1)C2=O,CN(C)C=O,438.0
5427,CCCCNc1ccc2c3c(cccc13)C(=O)N(c1ccc(O)cc1)C2=O,ClC(Cl)Cl,428.0
7273,CN(C)CCNc1ccc2c3c(cccc13)C(=O)N(c1ccc(O)cc1)C2=O,CC#N,430.0
7273,CN(C)CCNc1ccc2c3c(cccc13)C(=O)N(c1ccc(O)cc1)C2=O,CN(C)C=O,436.0
7273,CN(C)CCNc1ccc2c3c(cccc13)C(=O)N(c1ccc(O)cc1)C2=O,ClC(Cl)Cl,430.0