ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
42447 | O=C1CC(c2ccncc2)c2cc3c(cc2N1)OCO3 | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][N][Ring1][S][O][C][O][Ring1][Branch2] | O=C1CC(c2ccncc2)c2cc3c(cc2N1)OCO3 |
42449 | C=CCn1cnc2c(NCc3ccccc3)ncnc21 | [C][=C][C][N][C][=N][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][=C][Ring1][=C][Ring1][P] | n16cnc2c5ncnc21.c17ccccc1.C=CC6.N45.C47 |
42450 | COc1ccc(-c2nc3n(n2)C(=O)CCS3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][=Branch1][C][=O][C][C][S][Ring1][Branch2][C][=C][Ring1][S] | c15nc2n(n1)C(=O)CCS2.c14ccc5cc1.CO4 |
42451 | CN(C)S(=O)(=O)N1CCN(c2ccccc2F)CC1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] | CN(C)S(=O)(=O)N1CCN3CC1.c13ccccc1F |
42453 | O=C1CC(c2ccc3c(c2)OCO3)c2cc3c(cc2N1)OCCO3 | [O][=C][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][O][C][C][O][Ring1][=Branch2] | O=C1CC(c2ccc3c(c2)OCO3)c2cc3c(cc2N1)OCCO3 |
42455 | O=C(NCC1CCCO1)c1nn2cccnc2c1Cl | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=N][N][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][=Branch2][Cl] | c15nn2cccnc2c1Cl.C16CCCO1.O=C35.N34.C46 |
42456 | CCCc1nnc(NC(=O)c2nc(SC)ncc2Cl)s1 | [C][C][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][Branch1][Ring1][S][C][=N][C][=C][Ring1][Branch2][Cl][S][Ring1][P] | c15nc7ncc1Cl.c16nnc4s1.CCC6.C35=O.N34.S7C |
42457 | Cc1cccc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)c1C | [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][C] | C126CCC(C)(C(=O)O1)C2(C)C.Cc1cccc5c1C.C46=O.N45 |
42458 | O=S(=O)(Nc1ccc(F)cc1)N1CCCCCC1 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][C][C][C][Ring1][#Branch1] | O=S(=O)(N2)N1CCCCCC1.c12ccc(F)cc1 |
42460 | CC(=O)Nc1cccc(OC(=O)N2CCOCC2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][#C] | c17cccc6c1.N15CCOCC1.CC4=O.C35=O.N47.O36 |
42461 | CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(C)n2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=C][Ring1][P] | c16ccc(Cl)c7c1.c15cccc(C)n1.CC3=O.C47=O.N36.N45 |
42462 | O=C(NC1CCCCC1)N1CCN(C(=O)c2ccco2)CC1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N] | N14CCN5CC1.C16CCCCC1.c17ccco1.O=C34.C57=O.N36 |
42463 | OC1C=C(c2ccccc2)Sc2nc3ccccc3n21 | [O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][Ring2][Ring1][Ring1] | OC1C=C(c2ccccc2)Sc2nc3ccccc3n21 |
42465 | O=C1CC(c2ccncc2)c2cc3c(cc2N1)OCCO3 | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][N][Ring1][S][O][C][C][O][Ring1][=Branch2] | O=C1CC(c2ccncc2)c2cc3c(cc2N1)OCCO3 |
42466 | CCOC(=O)C1=C(C(C)C)NC(=O)NC1c1ccc(F)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C2(=O)C1=C(C(C)C)NC(=O)NC14.c14ccc(F)cc1.CC3.O23 |
42467 | O=C(c1cccs1)N1CCN(S(=O)(=O)N2CCCCC2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C] | N13CCN(S(=O)(=O)N2CCCCC2)CC1.c14cccs1.O=C34 |
42468 | O=C(Nc1cccnc1)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][=N][N][=Ring1][S] | c16cc2nc8cc7n2n1.c15cccnc1.C7(F)(F)F.O=C46.C18CC1.N45 |
42469 | CSc1ccccc1NC(=O)c1nn2cccnc2c1Cl | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][N][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][=Branch2][Cl] | c15nn2cccnc2c1Cl.c16ccccc14.C35=O.CS6.N34 |
42472 | CCN(CC(N)=O)S(=O)(=O)c1ccc(F)cc1 | [C][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(F)cc1.C3C(N)=O.N234.CC2 |
42473 | COC(=O)C1C(=O)c2c([nH]c(C(=O)OC(C)C)c2C)CC1C | [C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][NH1][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Ring1][O][C][C][C][Ring1][P][C] | C17C(=O)c2c([nH]c6c2C)CC1C.C37=O.C46=O.C5(C)C.CO3.O45 |
42474 | CCOC(=O)N1CCC(NC(=O)c2cnn3cccnc23)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C] | c19cnn2cccnc12.N15CCC8CC1.C45=O.C69=O.CC7.O47.N68 |
42475 | Cc1ccccc1N1CCN(S(=O)(=O)N(C)C)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][N] | N12CCN(S(=O)(=O)N(C)C)CC1.Cc1ccccc12 |
42476 | Cc1cccc(C)c1N1CCN(S(=O)(=O)N2CCOCC2)CC1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][#C] | N13CCN(S(=O)(=O)N2CCOCC2)CC1.Cc1cccc(C)c13 |
42477 | Cc1cccc(NC(=O)c2cc(N)ccc2Cl)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][Cl][=N][Ring1][P] | c15cc(N)ccc1Cl.Cc1cccc4n1.C35=O.N34 |
42478 | COC(=O)CNS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O | [C][O][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O] | S4(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O.C2(=O)C3.CO2.N34 |
42479 | C=C(C)Cn1c(SCC(=O)N(CC)CC)nc2ccccc2c1=O | [C][=C][Branch1][C][C][C][N][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O] | n17c8nc2ccccc2c1=O.C=C(C)C7.C6C3=O.N345.S68.C4C.C5C |
42480 | COc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][C][O][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | c15ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1.CO5 |
42481 | Cc1cccc(C)c1N1CCN(S(=O)(=O)N2CCCCC2)CC1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C] | N13CCN(S(=O)(=O)N2CCCCC2)CC1.Cc1cccc(C)c13 |
42482 | O=C(Cn1nc(C(F)(F)F)c2c1CCCCC2)N1CCOCC1 | [O][=C][Branch2][Ring1][#Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][C][C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | n14nc5c2c1CCCCC2.N13CCOCC1.O=C3C4.C5(F)(F)F |
42483 | Cc1cc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)no1 | [C][C][=C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=Ring1][#C][Ring1][N][=N][O][Ring2][Ring1][#Branch1] | c17cnn2c8cc9nc12.Cc1cc6no1.C57=O.C8(F)F.C19CC1.N56 |
42485 | COc1cc(C)c(Br)cc1S(=O)(=O)N1CCCCC1 | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c12cc(C)c(Br)cc1S3(=O)=O.N13CCCCC1.CO2 |
42486 | COc1ccc(Cl)cc1S(=O)(=O)NCc1cccs1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1] | c12ccc(Cl)cc1S4(=O)=O.c15cccs1.CO2.N34.C35 |
42487 | Cc1cc(C(F)(F)F)nn1CC(=O)NCc1nc2ccccc2[nH]1 | [C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c17nc2ccccc2[nH]1.Cc1cc6nn15.C6(F)(F)F.C5C3=O.N34.C47 |
42489 | COc1ccc(Cl)cc1NC(=O)c1nn2cccnc2c1Cl | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=N][N][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][=Branch2][Cl] | c16nn2cccnc2c1Cl.c14ccc(Cl)cc15.C36=O.CO4.N35 |
42490 | CCOc1cc(S(=O)(=O)NCc2cccs2)ccc1Cl | [C][C][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][S][Cl] | c14cc(S6(=O)=O)ccc1Cl.c17cccs1.CC3.O34.N56.C57 |
42491 | O=C(NCc1ccc(N2CCCC2=O)cc1)Nc1ccccc1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccc8cc1.N18CCCC1=O.c16ccccc1.O=C34.N35.C57.N46 |
42492 | O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1F | [O][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c15ccc(F)cc1F.c16ccc7cc1.N17CCCC1=O.O=C35.N34.C46 |
42493 | O=C(c1ccco1)N(Cc1ccco1)c1ccc(O)cc1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c14ccc(O)cc1.c15ccco1.c16ccco1.O=C25.N234.C36 |
42496 | Cc1nnc(SCC(=O)Nc2cccc(F)c2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][Ring1][P] | c15cccc(F)c1.Cc1nnc6s1.C4C3=O.S46.N35 |
42497 | COc1cc(NC(=O)CSc2nncn2C)cc(OC)c1OC | [C][O][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc8cc5c16.c19nncn1C.C3(=O)C7.CO4.N38.S79.O5C.O6C |
42498 | O=C(CS(=O)(=O)c1ccccc1)Nc1ccccc1O | [O][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | O=C2CS(=O)(=O)c1ccccc1.c13ccccc1O.N23 |
42499 | Oc1cc(O)c(C(O)(C(F)(F)F)C(F)(F)F)c(O)c1 | [O][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][O][=C][Ring2][Ring1][C] | C2(O)(C(F)(F)F)C(F)(F)F.Oc1cc(O)c2c(O)c1 |
42500 | O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCCC1 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O][N][C][C][C][C][Ring1][Branch1] | c14cc2cc(Cl)ccc2oc1=O.N13CCCC1.O=C34 |
42501 | Cc1ccc(N2CC(C(=O)NCC3CCCO3)CC2=O)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1][Cl] | Cc1ccc8cc1Cl.N18CC6CC1=O.C17CCCO1.C46=O.N45.C57 |
42502 | Cc1ccc(N2CC(C(=O)NCc3ccco3)CC2=O)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1][Cl] | Cc1ccc8cc1Cl.N18CC6CC1=O.c17ccco1.C46=O.N45.C57 |
42504 | Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Ring2][Cl] | Cc1ccc7cc1Cl.N17CC6CC1=O.c15nccs1.C46=O.N45 |
42505 | Cc1cc(NC(=O)C2CC(=O)N(c3ccc(C)c(Cl)c3)C2)no1 | [C][C][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][=C][=N][O][Ring2][Ring1][=Branch1] | c17ccc(C)c(Cl)c1.C16CC(=O)N7C1.Cc1cc5no1.C46=O.N45 |
42506 | CC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c17ccc5cc1.C16CC(=O)N8C1.c19ccccc1.CC7=O.C46=O.N45.C89 |
42507 | Cc1cccc(C)c1NC(=O)C1CC(=O)N(Cc2ccccc2)C1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] | Cc1cccc(C)c14.C15CC(=O)N6C1.c17ccccc1.C35=O.N34.C67 |
42508 | COc1cccc(NC(=O)C2CC(=O)N(C(C)c3ccccc3)C2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=C][Ring2][Ring1][#Branch1] | c15cccc6c1.C17CC(=O)N8C1.c19ccccc1.C47=O.C89C.CO5.N46 |
42509 | Cc1ccc(C)c(N2CC(C(=O)NCc3ccccc3)CC2=O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=O][=C][Ring2][Ring1][#Branch1] | Cc1ccc(C)c8c1.N18CC6CC1=O.c17ccccc1.C46=O.N45.C57 |
42511 | Cc1c(Cl)cccc1N1CC(C(=O)NCc2ccccc2)CC1=O | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=O] | Cc1c7cccc1Cl.N17CC5CC1=O.c16ccccc1.C35=O.N34.C46 |
42513 | O=C(Nc1nccs1)C1CC(=O)N(c2ccccc2Cl)C1 | [O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring1][=N] | C15CC(=O)N6C1.c16ccccc1Cl.c14nccs1.O=C35.N34 |
42514 | CNC(=O)C(C)NS(=O)(=O)c1ccc(F)cc1 | [C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(F)cc1.C2(=O)C3C.CN2.N34 |
42515 | COC(=O)CNC(=O)c1cc(-c2ccncc2)nc2ccc(C)cc12 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][P][Ring1][#Branch1] | c16cc7nc2ccc(C)cc12.c17ccncc1.C3(=O)C5.C46=O.CO3.N45 |
42516 | Cc1cc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cccc23)no1 | [C][C][=C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][P][Ring1][#Branch1][=N][O][Ring2][Ring1][=Branch2] | c16cc7nc2c(C)cccc12.Cc1cc5no1.c17ccncc1.C46=O.N45 |
42518 | O=S1(=O)N=C(N2CCN(c3ccccc3)CC2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | O=S1(=O)N=C(N2CCN4CC2)c2ccccc21.c14ccccc1 |
42519 | Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1][C] | c16ccc(S4(=O)=O)cc1.Cc1ccc5cc1C.C36=O.N4(C)C.N35 |
42521 | CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(O)c2)c1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][Ring1][S] | S4(=O)(=O)c1cccc6c1.c15cccc(O)c1.CN4C.C36=O.N35 |
42523 | O=C(NC1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C] | c16cccc(S4(=O)=O)c1.N14CCCCC1.C15CCCC1.O=C36.N35 |
42524 | CCOc1ccc(C(=O)NCC2CCCO2)cc1Cl | [C][C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][#C][Cl] | c15ccc7cc1Cl.C18CCCO1.C37=O.CC4.O45.N36.C68 |
42525 | Cc1ccc(C(=O)NCC(=O)NC2CCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc7cc1.C16CCCC1.C5C4=O.C37=O.N35.N46 |
42526 | CCC(=O)Oc1cccc(C(=O)Nc2ccc(OC)cc2OC)c1 | [C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring1] | c18ccc6cc17.c15cccc9c1.CCC3=O.C49=O.O35.N48.O6C.O7C |
42527 | CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCCCC2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | S4(=O)(=O)c1ccc6cc1.C15CCCCC1.CN4C.C36=O.N35 |
42528 | COc1ccccc1NC(=O)CNC(=O)c1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc16.c17ccccc1.C2(=O)C5.C37=O.CO4.N26.N35 |
42533 | CC(C)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][N] | c15cccc(S4(=O)=O)c1.CC3C.C25=O.N4(C)C.N23 |
42534 | COc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C] | c15ccccc16.c19cccc7c1.c18ccco1.C39=O.C48=O.CO5.N36.N47 |
42536 | CN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1 | [C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cccc(S3(=O)=O)c1.c14ccccc1.CN24.C25=O.N3(C)C |
42537 | CC(=O)Nc1ccccc1C(=O)OCc1ccccc1F | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccccc16.c17ccccc1F.CC3=O.C26=O.N35.O24.C47 |
42539 | COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c17ccc(S5(=O)=O)cc1.c14ccc6cc1.C37=O.N5(C)C.CO4.N36 |
42540 | O=C(CNC(=O)c1ccccc1)Nc1cccc(Cl)c1 | [O][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c15cccc(Cl)c1.c16ccccc1.O=C2C4.C36=O.N34.N25 |
42541 | COc1ccc(C(=O)NCC(=O)OCc2cccc(F)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c16ccc8cc1.c19cccc(F)c1.C7C3=O.C48=O.CO6.N47.O35.C59 |
42543 | Cc1ccc(C(=O)NCC(=O)OCc2ccccc2F)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7cc1.c18ccccc1F.C6C3=O.C47=O.N46.O35.C58 |
42544 | O=C(Nc1cccc(C(=O)N2CCCCCC2)c1)c1ccco1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | c15cccc7c1.N14CCCCCC1.c16ccco1.O=C36.C47=O.N35 |
42545 | CC(=O)Nc1ccc(C(=O)OCc2ccccc2F)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][P] | c16ccc7cc1.c18ccccc1F.CC4=O.C37=O.N46.O35.C58 |
42546 | O=C(NCC1CCCO1)c1cccc(NC(=O)c2ccco2)c1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C] | c18cccc6c1.C19CCCO1.c17ccco1.O=C38.C47=O.N35.C59.N46 |
42547 | Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1][C] | c16cccc(S4(=O)=O)c1.Cc1ccc5cc1C.C36=O.N4(C)C.N35 |
42548 | O=C(Cc1ccccc1)NCC(=O)OCc1ccccc1F | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c17ccccc1F.c16ccccc1.O=C3C6.C5C2=O.N35.O24.C47 |
42549 | CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c17ccc(S6(=O)=O)cc1.N16CCCCC1.N345.C37=O.CC4.C5C |
42550 | CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cccnc2)c1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][#C] | S4(=O)(=O)c1cccc6c1.c15cccnc1.CN4C.C36=O.N35 |
42551 | CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2F)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][S] | S4(=O)(=O)c1ccc6cc1.c15ccccc1F.CN4C.C36=O.N35 |
42552 | Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][=N][O][Ring2][Ring1][Ring1] | c15ccc7cc1.Cc1cc6no1.C3(=O)C4.C7(C)C.N36.O45 |
42554 | CCC(=O)Oc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1 | [C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Ring1] | c18ccc6cc17.c15ccc9cc1.CCC3=O.C49=O.O35.N48.O6C.O7C |
42555 | Cc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C] | Cc1ccccc15.c18cccc6c1.c17ccco1.C38=O.C47=O.N35.N46 |
42556 | CN(C)S(=O)(=O)c1cccc(C(=O)N2CCc3ccccc32)c1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring1][P] | S5(=O)(=O)c1cccc6c1.N14CCc2ccccc21.CN5C.C46=O |
42557 | COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c17cccc(S5(=O)=O)c1.c14ccc6cc1.C37=O.N5(C)C.CO4.N36 |
42559 | Cc1ccc(N2Cc3ccccc3OC(C)C2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1] | N14Cc2ccccc2OC(C)C1=O.Cc1ccc4cc1 |
42560 | O=C1COc2ccccc2CN1c1ccc(Cl)cc1 | [O][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=C1COc2ccccc2CN13.c13ccc(Cl)cc1 |
42561 | COc1ccc(N2Cc3ccccc3OC(C)C2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1] | N15Cc2ccccc2OC(C)C1=O.c14ccc5cc1.CO4 |
42562 | COc1cc(OC)c2c(C)c(Cl)c(=O)oc2c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][#C] | c13cc4c2c(C)c(Cl)c(=O)oc2c1.CO3.O4C |
42563 | O=C1C(O)CC2c3ccccc3CC3(CCCC3)N12 | [O][=C][C][Branch1][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][N][Ring2][Ring1][C][Ring1][=C] | O=C1C(O)CC2c3ccccc3CC3(CCCC3)N12 |
42565 | Cc1csc(NC(=O)CSc2nnc(-c3cccnc3)o2)n1 | [C][C][=C][S][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O][=N][Ring2][Ring1][Branch1] | Cc1csc6n1.c17nnc8o1.c18cccnc1.C4(=O)C5.N46.S57 |
42566 | CC(=O)Oc1cnc2c(n1)c(=O)n(C)c(=O)n2C | [C][C][=Branch1][C][=O][O][C][=C][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2][C] | c14cnc2c(n1)c(=O)n(C)c(=O)n2C.CC3=O.O34 |
42568 | CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1C | [C][S][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c15nc2c(c(=O)n(C)c(=O)n2C)n13.c14ccccc1C.CS5.C34 |
42569 | N#CCc1ccc(NC(=O)Cc2cccs2)cc1 | [N][#C][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C] | c16ccc4cc1.c15cccs1.C3(=O)C5.N#CC6.N34 |
42570 | CCOc1cc(C#N)c(NC(=O)c2cccs2)cc1OCC | [C][C][O][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][S][O][C][C] | c16cc(C#N)c8cc17.c19cccs1.C39=O.CC4.O46.N38.O57.C5C |
42571 | CSc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)C | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C] | c18ccccc16.c15ccccc17.C26=O.C37=O.C4(C)C.CS8.N25.N34 |
42576 | Cc1nn(C(=O)c2cccs2)c(N)c1-c1ccccc1 | [C][C][=N][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][N][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nn(C3=O)c(N)c14.c14ccccc1.c13cccs1 |
42578 | CCOC(=O)c1ccncc1C(=O)Nc1nccs1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | c16ccncc17.c15nccs1.C26=O.C37=O.CC4.O24.N35 |
42579 | CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCCC1 | [C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c15ccc(Cl)cc1.N13CCCCC1.CC4C3=O.C25=O.N24 |
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