ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
21540 | CCC(C)OC(=O)n1ccc(C(=O)Nc2nccs2)n1 | [C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=N][Ring1][=N] | C3(=O)n1ccc7n1.c16nccs1.CCC5C.C47=O.O35.N46 |
21541 | C=C1C(C(=O)Nc2ccccc2F)C1C(=O)Nc1ccccc1F | [C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccccc1F.c16ccccc1F.C=C1C7C18.C37=O.C48=O.N35.N46 |
21542 | COC(=O)C1=C(C)N(C)C(=O)NC1c1cccc(F)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | C2(=O)C1=C(C)N(C)C(=O)NC13.c13cccc(F)c1.CO2 |
21543 | Cc1occc1C(=O)OCC(=O)Nc1ccc(F)cc1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.Cc1occc16.C4C3=O.C26=O.O24.N35 |
21544 | O=C(COc1ccc(F)cc1)N1CCc2ccccc21 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2ccccc21.c15ccc(F)cc1.O=C3C4.O45 |
21545 | CCCC(=O)Nc1ncc2c(n1)CC(c1ccccc1)CC2=O | [C][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=O] | c14ncc2c(n1)CC5CC2=O.c15ccccc1.CCCC3=O.N34 |
21546 | CC(C)Sc1nnnn1-c1ccc(Cl)cc1 | [C][C][Branch1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13ccc(Cl)cc1.c14nnnn13.CC2C.S24 |
21547 | O=C(NC(O)C(Cl)(Cl)Cl)c1ccccc1F | [O][=C][Branch1][=C][N][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14ccccc1F.C3(O)C(Cl)(Cl)Cl.O=C24.N23 |
21548 | O=C(Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCCO2 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c14ccccc16.C6(F)(F)F.O=C35.N34 |
21549 | COc1c(Cl)cc(C(=O)Nc2cccc(C)n2)cc1Cl | [C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring1][P][Cl] | c14c(Cl)cc6cc1Cl.c15cccc(C)n1.C36=O.CO4.N35 |
21550 | Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(C)n2)c1 | [C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] | Cc1ccc7c5c1.c16cccc(C)n1.C4C3=O.C7(C)C.O45.N36 |
21552 | CC(C)COC(=O)n1ccc(C(=O)Nc2ccccc2)n1 | [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=C] | C3(=O)n1ccc7n1.c16ccccc1.CC(C)C5.C47=O.O35.N46 |
21554 | CCCN1C(=O)c2ccccc2NC1c1cccc(F)c1 | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | N13C(=O)c2ccccc2NC14.c14cccc(F)c1.CCC3 |
21555 | CCOC(=O)C1C(c2ccccc2)NC(=O)NC1(O)C(F)(F)F | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Ring1][=N][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] | C15C7NC(=O)NC16O.c17ccccc1.C6(F)(F)F.C35=O.CC4.O34 |
21558 | Cc1c(C(=O)N2CCCC2)sc(NC(=O)c2cccs2)c1C#N | [C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][Ring2][C][#N] | Cc1c6sc5c1C#N.N13CCCC1.c17cccs1.C36=O.C47=O.N45 |
21559 | CCC(=O)Nc1sc(C(=O)Nc2ccccc2)c(C)c1C(=O)OC | [C][C][C][=Branch1][C][=O][N][C][S][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][C][=Ring1][#C][C][=Branch1][C][=O][O][C] | c16sc8c(C)c19.c17ccccc1.CCC4=O.C58=O.C39=O.N46.N57.O3C |
21560 | CCN(CC)C(=O)c1sc(NC(C)=O)c(C(=O)OC)c1C | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=Ring1][=N][C] | c18sc7c9c1C.N356.C38=O.C4(C)=O.C29=O.CC5.C6C.N47.O2C |
21561 | CCN(CC)C(=O)c1sc(NC(=O)c2cccs2)c(C#N)c1C | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Branch1][Ring1][C][#N][C][=Ring1][#C][C] | c18sc7c(C#N)c1C.c19cccs1.N356.C38=O.C49=O.CC5.C6C.N47 |
21562 | Cc1c(C(=O)N2CCCCC2)sc(NC(=O)C2CC2)c1C#N | [C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Ring1][C][#N] | Cc1c6sc5c1C#N.N13CCCCC1.C36=O.C47=O.C17CC1.N45 |
21564 | Cc1cccc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][=C][Ring2][Ring1][Ring2] | C126CCC(C)(C(=O)O1)C2(C)C.Cc1cccc5c1.C46=O.N45 |
21566 | CC12CCC(C(=O)Nc3cccc(Cl)c3)(OC1=O)C2(C)C | [C][C][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Branch1][=Branch1][O][C][Ring1][S][=O][C][Ring2][Ring1][C][Branch1][C][C][C] | CC12CCC6(OC1=O)C2(C)C.c15cccc(Cl)c1.C46=O.N45 |
21567 | CC(=O)c1ccc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2] | C126CCC(C)(C(=O)O1)C2(C)C.c17ccc5cc1.CC7=O.C46=O.N45 |
21569 | O=C1OC(Nc2ncccn2)(c2ccccc2)c2ccccc21 | [O][=C][O][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | O=C1OC3(c2ccccc2)c2ccccc21.c14ncccn1.N34 |
21570 | O=C(COc1ccccc1Cl)NCc1cccnc1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccccc1Cl.c16cccnc1.O=C2C3.O34.N25.C56 |
21571 | Cc1ccc(S(=O)(=O)N2CCC(O)CC2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][C][=C][Ring1][P] | Cc1ccc(S3(=O)=O)cc1.N13CCC(O)CC1C |
21572 | Cc1ccc(S(=O)(=O)N2CCC(=O)CC2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1][C][C][=C][Ring1][P] | Cc1ccc(S3(=O)=O)cc1.N13CCC(=O)CC1C |
21573 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(Br)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(=O)NC13.c13ccc(Br)cc1.CO2 |
21575 | COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)OCO3)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c17ccc2c(c1)OCO2.c15cc6cc8c1.C48=O.CO5.O6C.N47 |
21576 | CC1=C(C(=O)OC(C)C)C(c2ccc(Cl)cc2)n2nnnc2N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][N][=N][N][=C][Ring1][Branch1][N][Ring2][Ring1][=Branch1] | CC1=C(C3=O)C(c2ccc(Cl)cc2)n2nnnc2N1.C4(C)C.O34 |
21578 | Cc1c(C(=O)N2CCCCC2)sc(NC(=O)c2ccco2)c1C#N | [C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][Branch1][C][#N] | Cc1c6sc5c1C#N.N13CCCCC1.c17ccco1.C36=O.C47=O.N45 |
21580 | Cn1c2ccccc2c2nnc(SCC(N)=O)nc21 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][=C][Ring1][O][Ring2][Ring1][C] | Cn1c2ccccc2c2nnc4nc21.C3C(N)=O.S34 |
21581 | CSc1nccn1CC(=O)NC1CCCCC1 | [C][S][C][=N][C][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | c15nccn14.C13CCCCC1.C4C2=O.CS5.N23 |
21582 | O=C(NC1CC1)C1CC(=O)N(c2ccc(F)cc2)C1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N6C1.c16ccc(F)cc1.O=C35.C14CC1.N34 |
21583 | Cc1cc(O)c(C(C)C)cc1NC1=NS(=O)(=O)c2ccccc21 | [C][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N3C1=NS(=O)(=O)c2ccccc21.Cc1cc(O)c4cc13.C4(C)C |
21584 | CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3F)c(C)oc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Branch1][C][C][O][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c15ccc2c(=O)c6c(C)oc2c1.c17ccccc1F.CC4=O.O45.O67 |
21585 | O=C1C2c3ccccc3CCN2C(=O)CN1CCc1ccccc1 | [O][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][N][Ring1][#C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1C2c3ccccc3CCN2C(=O)CN14.c15ccccc1.C4C5 |
21586 | COc1ccc(NC(=O)CSc2nnc(C)s2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c14ccc7c5c1.c18nnc(C)s1.C3(=O)C6.CO4.N37.S68.O5C |
21587 | Cc1nc2ncccn2c1-c1csc(Nc2ccccn2)n1 | [C][C][N][=C][N][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][S][C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N] | Cc1nc2ncccn2c15.c15csc3n1.c14ccccn1.N34 |
21588 | CS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N] | N14CCN3CC1.c15ccco1.CS4(=O)=O.C35=O |
21589 | CCCC(=O)Oc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1 | [C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][C] | N6C1=NS(=O)(=O)c2ccccc21.c15cccc6c1.CCCC4=O.O45 |
21590 | CCN(CC)c1cccc(OC2=NS(=O)(=O)c3ccccc32)c1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][C] | O4C1=NS(=O)(=O)c2ccccc21.c17cccc4c1.N567.CC5.C6C |
21592 | Cc1nc2scc(-c3ccccc3Cl)c2c(=O)n1N | [C][C][=N][C][S][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][Ring1][P][N] | Cc1nc2scc4c2c(=O)n1N.c14ccccc1Cl |
21594 | CCCn1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C | [C][C][C][N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c3nc2c1c(=O)n(C)c(=O)n2C.N13CCOCC1.CCC4 |
21595 | CCCn1c(NCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C | [C][C][C][N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15c4nc2c1c(=O)n(C)c(=O)n2C.c16ccccc1.CCC5.N34.C36 |
21597 | Cc1cccc(N2CC(O)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][P][N][C][C][Branch1][C][O][C][N][C][Ring1][#Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch2] | N14CC(O)Cn2c1nc1c2c(=O)n(C)c(=O)n1C.Cc1cccc4c1 |
21598 | Cn1c(=O)c2c(nc3n2CC(O)CN3c2ccc(O)cc2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch2][N][=C][N][Ring1][Branch1][C][C][Branch1][C][O][C][N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][Ring2][Ring1][#Branch1][=O] | Cn1c(=O)c2c(nc3n2CC(O)CN34)n(C)c1=O.c14ccc(O)cc1 |
21599 | CCn1c(SC(C)C(C)=O)nc2c1c(=O)n(C)c(=O)n2C | [C][C][N][C][Branch1][O][S][C][Branch1][C][C][C][Branch1][C][C][=O][=N][C][=C][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c5nc2c1c(=O)n(C)c(=O)n2C.C3(C)C(C)=O.CC4.S35 |
21600 | O=C(Nc1ccccn1)c1csc2c1CCCC2 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c15csc2c1CCCC2.c14ccccn1.O=C35.N34 |
21601 | Cc1nc2sc(-c3ccccc3)cc2c(=O)n1N | [C][C][=N][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring1][O][C][=Branch1][C][=O][N][Ring1][S][N] | Cc1nc2sc4cc2c(=O)n1N.c14ccccc1 |
21602 | COc1ccc(OCC(=O)c2ccc(OC)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c14ccc5cc1.c17ccc6cc1.C3C7=O.CO4.O35.O6C |
21603 | COC(=O)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F | [C][O][C][=Branch1][C][=O][C][C][=N][N][C][=Ring1][Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][Branch1][C][F][Branch1][C][F][F] | c14cnn2c1NC5CC2C(F)(F)F.c15ccccc1.C34=O.CO3 |
21604 | Cc1cc(=O)n(C(NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)cn1 | [C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=N][Ring2][Ring1][Ring1] | Cc1cc(=O)n4cn1.C34C(Cl)(Cl)Cl.C2(=O)C(C)(C)C.N23 |
21606 | CC(C)C(=O)NC(n1ccnc1)C(Cl)(Cl)Cl | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][C][Cl][Branch1][C][Cl][Cl] | C34C(Cl)(Cl)Cl.CC(C)C2=O.n14ccnc1.N23 |
21608 | Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6cc1.c15ccccc17.N14CCCC1.C36=O.C47=O.N35 |
21611 | CC(C)CN(CC(C)C)C(=O)c1ccccc1NC(=O)c1ccco1 | [C][C][Branch1][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c18ccccc16.c17ccco1.CC(C)C4.C5C(C)C.N245.C28=O.C37=O.N36 |
21612 | O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccco1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1] | c14ccccc16.N13CCCC1.c15ccco1.O=C25.C36=O.N24 |
21614 | O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccco1 | [O][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][O][Ring1][Branch1] | c14ccccc16.N13CCCCCC1.c15ccco1.O=C25.C36=O.N24 |
21615 | O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccco1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] | c15ccccc17.c18ccccc1.c16ccco1.O=C26.C37=O.N25.N34.C48 |
21616 | CC(C)NC(=O)c1ccccc1NC(=O)c1ccco1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c17ccccc15.c16ccco1.CC4C.C27=O.C36=O.N24.N35 |
21618 | COC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=Branch1][=Branch2][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][C][C][N][Ring1][#Branch2][C][C][C][Ring1][=C] | c16cc2cc3c4c(c2oc1=O)CCCN4CCC3.C56=O.CO5 |
21620 | O=c1c2ccccc2nc(-c2ccco2)n1-c1ccccn1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#C][C][=C][C][=C][C][=N][Ring1][=Branch1] | O=c1c2ccccc2nc4n13.c13ccccn1.c14ccco1 |
21622 | CC(C)(C)c1nnc(SCC(=O)c2ccccc2)n(N)c1=O | [C][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][N][C][Ring1][P][=O] | c15nnc6n(N)c1=O.c14ccccc1.CC5(C)C.C3C4=O.S36 |
21623 | Cc1cc(C)nc(SCC(=O)c2c[nH]c3ccccc23)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | c15c[nH]c2ccccc12.Cc1cc(C)nc6n1.C4C5=O.S46 |
21624 | Cc1cc(C)n(-c2nc(-c3cccnc3)nc3ccccc23)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch2][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][N][=Ring2][Ring1][=Branch1] | c14nc5nc2ccccc12.Cc1cc(C)n4n1.c15cccnc1 |
21625 | Cc1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c16nc(N)cc(N)n1.Cc1ccc5cc1.C3(=O)C4.N35.S46 |
21626 | Nc1cc(N)nc(SCC(=O)c2ccccc2)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][P] | Nc1cc(N)nc5n1.c14ccccc1.C3C4=O.S35 |
21627 | Cc1occc(=O)c1OC(=O)c1ccc(Cl)cc1 | [C][C][O][C][=C][C][=Branch1][C][=O][C][=Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1occc(=O)c13.c14ccc(Cl)cc1.C24=O.O23 |
21628 | CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2)n2nnnc2N1 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][N][Ring2][Ring1][=Branch2] | CC1=C(C3=O)C(c2ccccc2)n2nnnc2N1.c15ccccc1.O34.C45 |
21630 | O=c1c2c3c(sc2ncn1-n1cccc1)CCCCC3 | [O][=C][C][C][=C][Branch1][P][S][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][N][C][=C][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][P] | O=c1c2c3c(sc2ncn1-n1cccc1)CCCCC3 |
21631 | Cc1nc2sc3c(c2c(=O)n1-n1cccc1)CCCCC3 | [C][C][=N][C][S][C][=C][Branch2][Ring1][C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][N][C][=C][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][S] | Cc1nc2sc3c(c2c(=O)n1-n1cccc1)CCCCC3 |
21632 | O=S(=O)(Nc1ccc2c(c1)CCC2)c1ccc(F)cc1 | [O][=S][=Branch1][C][=O][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=S3(=O)c1ccc(F)cc1.c14ccc2c(c1)CCC2.N34 |
21633 | Cc1ccc(C#N)c(SCc2cc3c(cc2Cl)OCO3)n1 | [C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch2][Ring1][Ring1][S][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][O][C][O][Ring1][Branch2][=N][Ring2][Ring1][Ring2] | c15cc2c(cc1Cl)OCO2.Cc1ccc(C#N)c6n1.S46.C45 |
21636 | Cc1ccc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | C126CCC(C)(C(=O)O1)C2(C)C.Cc1ccc5c(C)c1.C46=O.N45 |
21637 | CC12CCC(C(=O)Nc3cc(Cl)ccc3Cl)(OC1=O)C2(C)C | [C][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][Branch1][=Branch1][O][C][Ring1][P][=O][C][Ring2][Ring1][Ring1][Branch1][C][C][C] | CC12CCC6(OC1=O)C2(C)C.c15cc(Cl)ccc1Cl.C46=O.N45 |
21638 | Cc1ccccc1NS(=O)(=O)c1ccccc1F | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | S2(=O)(=O)c1ccccc1F.Cc1ccccc13.N23 |
21639 | COc1ccc(N2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][C][C][N][C][Ring1][=Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][=Branch1] | N15CCCn2c1nc1c2c(=O)[nH]c(=O)n1C.c14ccc5cc1.CO4 |
21640 | CC(C)CN(CC(C)C)C(=O)C12CCC(C)(C(=O)O1)C2(C)C | [C][C][Branch1][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C] | C126CCC(C)(C(=O)O1)C2(C)C.CC(C)C4.C5C(C)C.N345.C36=O |
21641 | CCNc1oc(COc2ccccc2C)nc1C#N | [C][C][N][C][O][C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Ring1][=C][C][#N] | c16oc7nc1C#N.c14ccccc1C.CC5.N56.C37.O34 |
21642 | O=C(Nc1ccccn1)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c14ccccn1.O=C35.N34 |
21643 | CCOc1ccc(C(NC(C)=O)NC(C)=O)cc1OC | [C][C][O][C][=C][C][=C][Branch1][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][N][C][Branch1][C][C][=O][C][=C][Ring1][#C][O][C] | c15ccc9cc16.C789.C2(C)=O.C3(C)=O.CC4.O45.N27.N38.O6C |
21645 | CC(Oc1ccccc1F)C(=O)NCc1ccc2c(c1)OCO2 | [C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17ccc2c(c1)OCO2.c15ccccc1F.CC4C3=O.O45.N36.C67 |
21646 | O=C(NCc1ccco1)c1cc2cc(Cl)ccc2oc1=O | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c15cc2cc(Cl)ccc2oc1=O.c16ccco1.O=C35.N34.C46 |
21647 | COc1ccc(-n2c(=O)[nH]c3cc(OC)c(OC)cc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | n17c(=O)[nH]c2cc5c6cc2c1=O.c14ccc7cc1.CO4.O5C.O6C |
21648 | CC1(C)C2CCC1(CS(=O)(=O)N1CCCC1)C(=O)C2 | [C][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1][Branch1][S][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][Ring1][S] | CC1(C)C2CCC14C(=O)C2.C4S3(=O)=O.N13CCCC1 |
21649 | O=C(c1ccccc1Cl)N1CCN(c2ncccn2)CC1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | c15ccccc1Cl.N13CCN4CC1.c14ncccn1.O=C35 |
21651 | CC12CCC(C(=O)Nc3ccc(Cl)cc3Cl)(OC1=O)C2(C)C | [C][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][Branch1][=Branch1][O][C][Ring1][P][=O][C][Ring2][Ring1][Ring1][Branch1][C][C][C] | CC12CCC6(OC1=O)C2(C)C.c15ccc(Cl)cc1Cl.C46=O.N45 |
21652 | O=C(Cc1coc2ccc3ccccc3c12)Nc1cccnc1 | [O][=C][Branch2][Ring1][Branch1][C][C][=C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=N][Ring1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c16coc2ccc3ccccc3c12.c15cccnc1.O=C4C6.N45 |
21653 | Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccnc1 | [C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cn1c5nnc16.c14ccc(Cl)cc1.c16cccnc1.C3C4=O.S35 |
21655 | CCOc1ccc2nc(SCC(N)=O)sc2c1 | [C][C][O][C][=C][C][=C][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][S][C][Ring1][#Branch2][=C][Ring1][=C] | c14ccc2nc6sc2c1.C5C(N)=O.CC3.O34.S56 |
21657 | CC1(C)C(=O)C2(C(=O)Nc3ccccc3Br)CCC1C2 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][C][C][Ring2][Ring1][C][C][Ring1][#C] | CC1(C)C(=O)C26CCC1C2.c15ccccc1Br.C46=O.N45 |
21658 | COc1ccccc1NC(=O)C(C)Oc1ccc(F)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccccc16.c15ccc(F)cc1.C2(=O)C3C.CO4.N26.O35 |
21659 | Cc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][=C][S][Ring2][Ring1][Ring2] | c15ccc(S4(=O)=O)cc1.Cc1nc5cs1.N14CCOCC1 |
21660 | Cc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 | [C][C][=N][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][=C][S][Ring2][Ring1][Ring1] | c15ccc(S4(=O)=O)cc1.Cc1nc5cs1.N14CCCC1 |
21662 | Cc1cc(C)c2oc(-c3cc(N)ccc3O)nc2c1 | [C][C][=C][C][Branch1][C][C][=C][O][C][Branch1][=N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O][=N][C][Ring1][=N][=C][Ring2][Ring1][C] | Cc1cc(C)c2oc4nc2c1.c14cc(N)ccc1O |
21663 | COc1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=N][Ring1][S] | c12ccc(S5(=O)=O)cn1.N345.C3(C)C.C4(C)C.CO2 |
21664 | CC(C)Oc1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=N][Ring1][S] | c13ccc(S6(=O)=O)cn1.CC2C.N456.C4(C)C.C5(C)C.O23 |
21665 | CCN(CC)S(=O)(=O)c1ccc(Nc2ccccc2)nc1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N] | S5(=O)(=O)c1ccc6nc1.c17ccccc1.N345.CC3.C4C.N67 |
21666 | CCOc1ccc(S(=O)(=O)N(CC)CC)cn1 | [C][C][O][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][=N][Ring1][=C] | c13ccc(S6(=O)=O)cn1.N456.CC2.O23.C4C.C5C |
21667 | CCN(CC)S(=O)(=O)c1ccc(OC(C)C)nc1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][N][=C][Ring1][#Branch2] | S6(=O)(=O)c1ccc3nc1.N456.C2(C)C.CC4.C5C.O23 |
21668 | CCc1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)o1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][O][Ring2][Ring1][Ring2] | c14ccc(S(N)(=O)=O)cc1.c15ccc6o1.C6CC3=O.CC5.N34 |
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