Compound Name

SMILES String

C1CN2C(=N1)c1ccccc1-c1ccccc21 |c:3|

CC(=O)Nc1sc2CNCCCc2c1-c1nc2ccccc2s1

CC(=O)Nc1sc2CNCc2c1-c1nc2ccccc2s1

CC(C)N1CCc2sc(NC(C)=O)c(-c3nc4ccccc4s3)c2CC1

CC(C)N1Cc2sc(NC(C)=O)c(-c3nc4ccccc4s3)c2C1

CC(CS(=O)(=O)c1ccc2SCC(=O)Nc2c1)C(=O)NCc1ccccc1Cl

CCCCN(C(=O)c1cccc(c1)-n1cccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O

CCCCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12

CCCCn1nnnc1C1(C)CCC(=O)N1CCCn1ccnc1

CCCN(C(=O)c1cc2CCCc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O

CCN(CC)CCC(=O)Nc1cccc2C(=O)c3ccccc3C(=O)c12

CCN(CC)CCCNc1nc2ccccc2c2nc(nn12)-c1ccncc1

CCN(CC)CCn1nc2-c3ccccc3-c3cccc(c23)c1=O

CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCN1CCOCC1

CCOC(=O)c1cnc2c(ccc3ccccc23)c1NCCCN(C)C

CN(C)C(=O)c1cccc(c1)-c1cnc2c(NC=O)cc(cn12)-c1ccccc1N(C)C

CN(C)CCNC(=O)c1cccc2nc([nH]c12)-c1ccncc1

CN(C)CCNc1ccc(C)c2sc3ccc(O)cc3c(=O)c12

CN(C)CCNc1ccc(CO)c2sc3ccc(O)cc3c(=O)c12

CN1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1

CN1CCc2cc3OCOc3c3-c4ccccc4CC1c23

COc1cc(C)cc2c1c1cc(OC)c3c(O)ccc(C4OC(C)C(O)C(C)(O)C4O)c3c1oc2=O

COc1cc(O)cc(Br)c1\C=N\Nc1nc2ccccc2s1

COc1cc(cc(c1O)[N+]([O-])=O)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O

COc1cc2sc3cc(NCC[C@@H]4CCCN4C)ccc3c(=O)c2cc1OC

COc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12

COc1ccc([CH+][N-]NC(=O)c2cc(O)c(O)c(O)c2)cc1Cn1cc(cn1)[N+]([O-])=O

COc1ccc(cc1OC)-c1csc([nH+]1)C(=C\[c-]1ccc(=O)c(c1)[N+]([O-])=O)\C#N

COc1ccc2c(c1)oc1nc(-c3ccc(C)cc3)n(-c3ccccc3)c(=O)c1c2=O

COc1cccc2nc3c(cccc3cc12)C(=O)NCCN(C)C

C\[NH+]=c1/ccc2nc3ccccc3n(C)c2c1

Cc1ccc(Cn2ccc(O)c(Cc3ccccc3)c2=O)cc1

Cc1ccc(cc1)-c1cc(cc(-c2ccccc2)[n+]1-c1ccccc1C(O)=O)-c1ccccc1 |(.83,9.01,;2.16,9.78,;2.16,11.32,;3.49,12.09,;4.83,11.32,;4.83,9.78,;3.49,9.01,;6.16,12.09,;6.16,13.63,;7.5,14.4,;8.83,13.63,;8.83,12.09,;10.35,12.36,;11.34,11.18,;12.85,11.45,;13.38,12.89,;12.39,14.07,;10.87,13.81,;7.5,11.32,;7.5,9.78,;6.16,9.01,;6.16,7.47,;7.5,6.7,;8.83,7.47,;8.83,9.01,;10.35,8.74,;10.87,7.3,;11.34,9.92,;7.5,15.94,;8.83,16.71,;8.83,18.25,;7.5,19.02,;6.16,18.25,;6.16,16.71,)|

Cc1ccc2c(Cl)c(Cc3ccccc3)c(=S)[nH]c2n1

Cc1ccc2nc(Cl)c3cc(sc3c2c1)C(=O)NCCCN1CCCC1

Cc1n(Cc2ccccc2F)c(C)c2c1cnn(CC(=O)Nc1c(F)c(F)cc(F)c1F)c2=O

Cc1onc(c1C(=O)NCc1ccco1)-c1ccccc1Cl

Clc1ccc(cc1)C1NN=C(S1)c1ccccc1 |c:10|

Clc1ccc(cc1)S(=O)(=O)Nc1cc2nc3ccccc3nc2n1Cc1ccccc1

Clc1ccc2N3CCN=C3c3ccccc3-c2c1 |c:8|

Cn1c2ccccc2n2cc(nc12)-c1ccc(cc1)[N+]([O-])=O

N(c1nc(cs1)-c1ccccn1)c1ccccn1

NC(=O)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 |w:8.7|

Nc1c(c(O)cn1NC(=O)c1c[nH]c2ccccc12)-c1nc2ccccc2s1

O=C(CC#N)Nc1ccc(cc1)C(=O)OCC(=O)c1ccc2OCC(=O)Nc2c1

O=C(Cc1coc2cc3CCCc3cc12)OCc1cc(=O)n2c(n1)sc1ccccc21

OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1O

OC1(CC(=NN1C(=S)c1ccccc1)c1ccccc1)C(F)(F)F |c:3|

OCCCNCc1cccc2ccccc12

Oc1ccc(cc1)C1NN=C(S1)c1ccccc1 |c:10|

Oc1ccc2ccccc2c1C1NN=C(S1)c1ccccc1 |c:15|

Oc1cccc(Nc2nc(cs2)-c2ccccn2)c1

[O-][N+](=O)c1cc2C(=O)N(CCN3CCCC3)C(=O)c3cccc(c1)c23

c1ccc(cc1)-c1cc(-c2ccccc2)[n+](-c2ccccc2)c(c1)-c1ccccc1