ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
17459 | COC(=O)c1cc(-c2ccc(Br)cc2)no1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][O][Ring1][N] | c15ccc(Br)cc1.c14cc5no1.C34=O.CO3 |
17461 | COC(=O)c1cc(-c2ccc(OCc3ccccc3)c(OC)c2)no1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][S][=N][O][Ring2][Ring1][Branch1] | c1%10ccc6c7c1.c18cc%10no1.c19ccccc1.C48=O.CO4.O56.C59.O7C |
17462 | COC(=O)c1cc(-c2ccccc2C(F)(F)F)no1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][O][Ring1][#C] | c16ccccc15.c14cc6no1.C5(F)(F)F.C34=O.CO3 |
17463 | COC(=O)c1cc(-c2ccc(OC)cc2OC)no1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=N][O][Ring1][#C] | c17ccc4cc15.c16cc7no1.C36=O.CO3.O4C.O5C |
17464 | COC(=O)c1cc(-c2cc(OC)ccc2OC)no1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][=N][O][Ring1][#C] | c17cc4ccc15.c16cc7no1.C36=O.CO3.O4C.O5C |
17466 | Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1cccc2ccccc12 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | Cn1c(=O)[nH]c(=O)c2c1ncn23.c14cccc2ccccc12.C34 |
17467 | CCNc1cc2oc(=O)cc(C(F)(F)F)c2cc1C | [C][C][N][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=Ring1][O][C][=C][Ring1][#C][C] | c14cc2oc(=O)cc5c2cc1C.C5(F)(F)F.CC3.N34 |
17468 | Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1ncn2CCO | [C][N][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][Ring1][S][N][=C][N][Ring1][Branch1][C][C][O] | Cn1c(=O)n3c(=O)c2c1ncn24.c15ccc(Cl)cc1.C4CO.C35 |
17470 | COC(=O)c1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][Branch1][C][C][=N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][C][=C][Ring2][Ring1][Branch1] | n16c(C)nc(=O)c7c1C.c15ccc6cc1.c17ccccc1.C45=O.CO4 |
17471 | CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][=C][Ring1][O][C][C][C][C][Ring1][=Branch1] | c18c6sc2c1CCCC2.C38=O.C47=O.C17CC1.CC5.O35.N46 |
17472 | CCOC(=O)c1cc(CC)sc1NC(=O)C1CC1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][Ring1][C][C][S][C][=Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1] | c17cc8sc15.C27=O.C36=O.C16CC1.CC4.O24.C8C.N35 |
17475 | CCCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c18ccc2c(c1)OCCO2.c16ccc7cc1.CCCC4=O.C58=O.N46.N57 |
17478 | CCOC(=O)Cc1nn2c(=O)cc(C)nc2s1 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][S][Ring1][O] | c15nn2c(=O)cc(C)nc2s1.C3(=O)C5.CC4.O34 |
17479 | COc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | c16ccc7cc1.c1%10ccc8cc1.c19ccco1.C4%10=O.C59=O.CO6.N47.N58 |
17480 | CC1CCN(C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)CC1 | [C][C][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][C][C][Ring2][Ring1][Branch2] | CC1CCN4CC1.c17ccc6cc1.c18ccccc1.C5(=O)C8.C47=O.N56 |
17481 | Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(N)=O)c1 | [C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][#Branch1] | Cc1ccc8c5c1.c16ccccc17.C4C3=O.C8(C)C.C7(N)=O.O45.N36 |
17482 | CC(=O)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 | [C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N] | S4(=O)(=O)c1ccc5cc1.N15CCCC1=O.CC3=O.N34 |
17483 | O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccnc2)cc1 | [O][=C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][S] | c15ccc(S3(=O)=O)cc1.O=C1CCCN15.c14cccnc1.N34 |
17484 | O=C(NCc1ccccc1)c1ccccc1C(=O)c1ncc[nH]1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][C][=C][NH1][Ring1][Branch1] | c15ccccc16.c17ccccc1.c14ncc[nH]1.O=C25.C46=O.N23.C37 |
17485 | O=c1c2c3n(c4ccccc4c(=O)n3c3ccccc13)CC2 | [O][=C][C][=C][N][Branch2][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2] | O=c1c2c3n(c4ccccc4c(=O)n3c3ccccc13)CC2 |
17486 | Cc1ccn(S(=O)(=O)c2ccc(C)c(N3CCCC3=O)c2C)n1 | [C][C][C][=C][N][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][=N][C][N][=Ring2][Ring1][=Branch1] | Cc1ccn(S(=O)(=O)c2ccc(C)c4c2C)n1.N14CCCC1=O |
17487 | O=S(=O)(Nn1cnnc1)c1ccccc1Cl | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][N][C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | O=S(=O)(Nn1cnnc1)c1ccccc1Cl |
17488 | O=C(COc1ccccc1)N1CCN(C(=O)C2CC2)CC1 | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O] | N13CCN4CC1.c16ccccc1.O=C3C5.C47=O.C17CC1.O56 |
17489 | COc1cccc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][#C][=C][Ring2][Ring1][#Branch1] | c16cccc7c1.N14CCN5CC1.C5(=O)CC8.C18CCCC1.C47=O.CO6 |
17490 | O=C(CCC1CCCC1)N1CCN(C(=O)c2ccco2)CC1 | [O][=C][Branch1][#Branch2][C][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] | N13CCN4CC1.O=C3CC6.C16CCCC1.c15ccco1.C45=O |
17493 | CC(C)CC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | N13CCN4CC1.c15ccc(F)cc1.CC(C)CC3=O.C45=O |
17494 | O=C(c1cccnc1)N1CCN(C(=O)c2ccccc2F)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C] | N13CCN4CC1.c16ccccc1F.c15cccnc1.O=C35.C46=O |
17495 | COc1cccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C][=C][Ring2][Ring1][#Branch1] | c16cccc7c1.N14CCN5CC1.c18ccccc1F.C47=O.C58=O.CO6 |
17496 | COc1cccc(C(O)c2nc3ccccc3n2C)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][Ring2][Ring1][C][O][C] | c16nc2ccccc2n1C.c14cccc7c15.C67O.CO4.O5C |
17497 | O=C(c1ccncc1)N1CCN(C(=O)c2ccco2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][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] | N13CCN4CC1.c16ccncc1.c15ccco1.O=C36.C45=O |
17498 | O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccnc2)CC1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=C] | c15ccc(F)cc1.N13CCN4CC1.c16cccnc1.O=C35.C46=O |
17500 | CC(C)CC(=O)N1CCN(C(=O)CCC2CCCC2)CC1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][#C] | N13CCN4CC1.CC(C)CC3=O.C4(=O)CC5.C15CCCC1 |
17501 | COc1ccc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] | c16ccc7cc1.N14CCN5CC1.c18ccncc1.C47=O.C58=O.CO6 |
17502 | COc1ccc(NC(=O)COc2ccccc2C)cc1OC | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C][O][C] | c15ccc8cc17.c16ccccc1C.C3(=O)C4.CO5.N38.O46.O7C |
17504 | O=C(c1cccc(F)c1)N1CCN(C(=O)c2ccccc2F)CC1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C] | c15cccc(F)c1.N13CCN4CC1.c16ccccc1F.O=C35.C46=O |
17505 | O=C(CCC1CCCC1)N1CCN(C(=O)c2ccccc2)CC1 | [O][=C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C] | N13CCN4CC1.c15ccccc1.O=C3CC6.C16CCCC1.C45=O |
17506 | O=C(Cc1ccccc1)N1CCN(C(=O)c2ccc(F)cc2)CC1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | N13CCN4CC1.c15ccc(F)cc1.c16ccccc1.O=C3C6.C45=O |
17509 | Cc1cc2nc(-c3ccc(N)cc3O)oc2cc1C | [C][C][=C][C][N][=C][Branch1][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][O][O][C][=Ring1][=N][C][=C][Ring1][P][C] | Cc1cc2nc4oc2cc1C.c14ccc(N)cc1O |
17510 | COc1cc2ccccc2cc1C(=O)Nc1cccnc1 | [C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14cc2ccccc2cc16.c15cccnc1.C36=O.CO4.N35 |
17511 | CCCC1CC(C)(C(=O)CNc2nncs2)OC1=O | [C][C][C][C][C][C][Branch1][C][C][Branch1][=C][C][=Branch1][C][=O][C][N][C][=N][N][=C][S][Ring1][Branch1][O][C][Ring1][#C][=O] | C16CC5(C)OC1=O.c14nncs1.C5(=O)C3.CCC6.N34 |
17512 | O=C(COc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C] | N13CCN4CC1.c16ccccc1.c17ccccc1.O=C3C5.C47=O.O56 |
17513 | C=C(C)Cn1c(SC)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][Ring1][S][C][=N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n13c4nc2c1c(=O)[nH]c(=O)n2C.C=C(C)C3.S4C |
17514 | C=C(C)Cn1c(SCC)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][Ring2][S][C][C][=N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.C=C(C)C4.S35.C3C |
17515 | C=C(C)Cn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][C][C][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.C=C(C)C4.C3C(C)C.S35 |
17516 | C=C(C)Cn1c(SC(C)CC)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][Branch2][S][C][Branch1][C][C][C][C][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.C=C(C)C4.C3(C)CC.S35 |
17517 | C=C(C)Cn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c6nc2c1c(=O)[nH]c(=O)n2C.c15ccccc1.C=C(C)C4.S36.C35 |
17518 | C=CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=C)C | [C][=C][C][Branch1][C][C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][=Branch1][C][=C][C] | c15nc2c(c(=O)[nH]c(=O)n2C)n14.C=CC3C.C4C(=C)C.S35 |
17519 | C=C(C)Cn1c(SCC(=O)OCC)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][#Branch2][S][C][C][=Branch1][C][=O][O][C][C][=N][C][=C][Ring1][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n16c7nc2c1c(=O)[nH]c(=O)n2C.C=C(C)C6.C5C3=O.S57.O34.C4C |
17520 | CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | c15ccc6cc1.c17ccco1.CCC3=O.C47=O.N35.N46 |
17521 | C=C(C)Cn1c(SCC(=O)OC)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][=N][C][=C][Ring1][O][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15c6nc2c1c(=O)[nH]c(=O)n2C.C=C(C)C5.C4C3=O.S46.O3C |
17522 | CCC(=O)Nc1ccc2nn(-c3ccc(OC)cc3)nc2c1 | [C][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=C][Ring1][=N][C][=Ring1][P] | c16ccc2nn7nc2c1.c17ccc5cc1.CCC4=O.N46.O5C |
17523 | C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=C)C | [C][=C][Branch1][C][C][C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][=Branch1][C][=C][C] | c15nc2c(c(=O)[nH]c(=O)n2C)n14.C=C(C)C3.C4C(=C)C.S35 |
17524 | C=C(C)Cn1c(SC(C)C(C)=O)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][Branch1][C][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][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.C3(C)C(C)=O.C=C(C)C4.S35 |
17525 | Cc1cc(OCC(=O)Nc2cccnc2)cc(C)c1Cl | [C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][Branch1][C][C][=C][Ring2][Ring1][C][Cl] | Cc1cc5cc(C)c1Cl.c16cccnc1.C4C3=O.O45.N36 |
17526 | CCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C] | c15ccc2oc6nc2c1.c16cccnc1.CCCC4=O.N45 |
17528 | O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cccnc1 | [O][=C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][C][O][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17nc2ccccc2o1.c15ccc(O)c7c1.c16cccnc1.O=C46.N45 |
17529 | COc1cc(OC)cc(C(=O)Nc2cccnc2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][P] | c14cc5cc7c1.c16cccnc1.C37=O.CO4.O5C.N36 |
17530 | C=C(C)Cn1c(NCC)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][Ring2][N][C][C][=N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15c4nc2c1c(=O)[nH]c(=O)n2C.C=C(C)C5.N34.C3C |
17531 | C=C(C)Cn1c(N(C)C)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c3nc2c1c(=O)[nH]c(=O)n2C.C=C(C)C4.N3(C)C |
17533 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1OC | [C][O][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][O][C] | c13ccc(S5(=O)=O)cc14.N15CCOCC1.CO3.O4C |
17534 | Cc1ccc(C)c(S(=O)(=O)NCc2cccnc2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1ccc(C)c(S4(=O)=O)c1.c15cccnc1.N34.C35 |
17535 | Cc1cc(C)nc(SCc2ccccc2C#N)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][=N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=N][Ring1][P] | Cc1cc(C)nc5n1.c14ccccc1C#N.S35.C34 |
17536 | COc1ccc(NC(=O)c2cccnc2)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C][O][C] | c14ccc6cc15.c17cccnc1.C37=O.CO4.N36.O5C |
17537 | COc1cc(NC(=O)c2cccnc2)c(OC)cc1Cl | [C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring1][P][Cl] | c14cc6c5cc1Cl.c17cccnc1.C37=O.CO4.N36.O5C |
17538 | COc1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][C] | c13ccc4c(S5(=O)=O)c1.N15CCCCCC1.CO3.O4C |
17539 | Fc1ccc(Nc2nc3nonc3n3nnnc23)cc1 | [F][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][N][=N][N][=C][Ring1][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | c14nc2nonc2n2nnnc12.Fc1ccc5cc1.N45 |
17540 | O=C(c1cccc(F)c1)N1CCN(C(=O)C2CC2)CC1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O] | c16cccc(F)c1.N13CCN4CC1.O=C36.C45=O.C15CC1 |
17541 | O=C(Cc1ccc(Cl)cc1)n1cc(Cl)cn1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1] | O=C(C2)n1cc(Cl)cn1.c12ccc(Cl)cc1 |
17542 | Clc1ccccc1Nc1nc2nonc2n2nnnc12 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][N][=N][N][=C][Ring1][N][Ring1][Branch1] | c13nc2nonc2n2nnnc12.Clc1ccccc14.N34 |
17543 | CCOC(=O)C1(CC)C(=O)OC(C(=O)NC2CCCCC2)C1C | [C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][P][C] | C189C(=O)OC7C1C.C16CCCCC1.C38=O.C47=O.CC5.O35.C9C.N46 |
17544 | O=C(COc1ccc(Cl)cc1)NCC1CCCO1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][C][C][O][Ring1][Branch1] | c14ccc(Cl)cc1.C16CCCO1.O=C2C3.O34.N25.C56 |
17545 | O=C1CCN2C=Nc3sc4c(c3C2=N1)CCCC4 | [O][=C][C][C][N][C][=N][C][S][C][=C][Branch1][#Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=N][Ring1][=N][C][C][C][C][Ring1][=Branch2] | O=C1CCN2C=Nc3sc4c(c3C2=N1)CCCC4 |
17546 | Cn1c(NC(=O)c2cccnc2)cc(=O)n(C)c1=O | [C][N][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][P][=O] | Cn1c4cc(=O)n(C)c1=O.c15cccnc1.C35=O.N34 |
17547 | COC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCOCC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][O][C][C][Ring1][S] | C14(S(=O)(=O)c2ccc(C)cc2)CCOCC1.C34=O.CO3 |
17548 | COC(=O)c1cccc(N=C(O)Cn2ccnc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][=C][Branch1][C][O][C][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][#C] | c14cccc(N=C(O)C5)c1.n15ccnc1.C34=O.CO3 |
17549 | Cc1cc(F)ccc1NCc1ccc2c(c1)OCCO2 | [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.Cc1cc(F)ccc14.N34.C35 |
17550 | COc1ccc2c(c1OC)C(=O)N(c1ccc(O)cc1)C2 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][S] | c13ccc2c(c14)C(=O)N5C2.c15ccc(O)cc1.CO3.O4C |
17551 | COc1ccc(C(=O)Nc2ccccn2)cc1Cl | [C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C][Cl] | c14ccc6cc1Cl.c15ccccn1.C36=O.CO4.N35 |
17552 | COc1ccc(OCC(=O)Nc2ccc(Br)cn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c15ccc6cc1.c17ccc(Br)cn1.C4C3=O.CO5.O46.N37 |
17553 | COc1ccc(NC(=O)c2oc3ccccc3c2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][=C][Ring2][Ring1][Ring1][O][C] | c18oc2ccccc2c1C.c15ccc7cc16.C48=O.CO5.N47.O6C |
17554 | Cc1c(C(=O)Nc2cccnc2)oc2ccccc12 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | Cc1c5oc2ccccc12.c14cccnc1.C35=O.N34 |
17555 | Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 | [C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | Cc1c6oc2ccccc12.c15ccc2c(c1)OCCO2.C46=O.N45 |
17557 | Cc1nc(C)c(-c2cc(C)c3c(C)nc(C)nc3n2)c(N)n1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=N][C][Branch1][C][C][=N][C][Ring1][Branch2][=N][Ring1][=N][C][Branch1][C][N][=N][Ring2][Ring1][Branch1] | c14cc(C)c2c(C)nc(C)nc2n1.Cc1nc(C)c4c(N)n1 |
17559 | O=C(Nc1ccc(Br)c2cccnc12)C1CC1 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][Br][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][C][C][C][Ring1][Ring1] | c14ccc(Br)c2cccnc12.O=C35.C15CC1.N34 |
17560 | CN(C(=O)CCN1C(=O)C(C)(C)Nc2ccccc21)c1ccccc1 | [C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3(=O)CCN1C(=O)C(C)(C)Nc2ccccc21.c14ccccc1.CN34 |
17561 | CC1(C)Nc2ccccc2N(CCC(=O)N2CCOCC2)C1=O | [C][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] | CC1(C)Nc2ccccc2N(CCC3=O)C1=O.N13CCOCC1 |
17562 | O=C(Nc1ccc(O)cc1)c1ccc(C(=O)c2ccccc2)o1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N] | c14ccc(O)cc1.c15ccc6o1.c17ccccc1.O=C35.C67=O.N34 |
17563 | Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCOCC3)cc12 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Ring2][Ring1][=Branch1][=Ring1][=N] | Cc1nn6c2sc5cc12.c16ccccc1.N14CCOCC1.C45=O |
17565 | Cc1ccc(Nc2cc(=O)n(C)c(=O)n2C)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][Ring1][P][Cl] | c13cc(=O)n(C)c(=O)n1C.Cc1ccc4cc1Cl.N34 |
17566 | CC1(C)Cc2c(sc(NC(=O)Nc3ccccc3)c2C(N)=O)CO1 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][O][S][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][C][Branch1][C][N][=O][C][O][Ring2][Ring1][#Branch1] | CC1(C)Cc2c(sc6c28)CO1.c17ccccc1.C45=O.C8(N)=O.N46.N57 |
17567 | Cc1ccc2oc(-c3cc(NC(=O)c4cccnc4)ccc3O)nc2c1 | [C][C][=C][C][=C][O][C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][O][=N][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] | Cc1ccc2oc8nc2c1.c18cc6ccc1O.c17cccnc1.C57=O.N56 |
17568 | CC(C)N(C(=O)c1ccc(C(=O)NC2CCCCC2)cc1)C(C)C | [C][C][Branch1][C][C][N][Branch2][Ring1][N][C][=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][C][Branch1][C][C][C] | c18ccc9cc1.C17CCCCC1.CC5C.N356.C38=O.C49=O.C6(C)C.N47 |
17569 | COC(=O)c1ccc(OCC(O)Cn2nc(C)cc2C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][Branch1][C][O][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | c16ccc5cc1.n17nc(C)cc1C.C4C(O)C7.C36=O.CO3.O45 |
17571 | Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C | [C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S][C] | Cc1ccc(S3(=O)=O)cc1C.N13CCCCCC1 |
17572 | Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2 | [C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring2][Ring1][Ring2][Ring1][=Branch2] | Cn1nc3nc2c(=O)n(C)c(=O)nc1-2.c13ccc(Cl)cc1 |
17573 | Cn1nc(-c2cccnc2)nc2c(=O)n(C)c(=O)nc1-2 | [C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring2][Ring1][Ring1][Ring1][=Branch2] | Cn1nc3nc2c(=O)n(C)c(=O)nc1-2.c13cccnc1 |
17574 | Cn1nc(-c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2 | [C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring2][Ring1][Ring1][Ring1][=Branch2] | Cn1nc3nc2c(=O)n(C)c(=O)nc1-2.c13ccccc1 |
17575 | Cn1nc(-c2ccncc2)nc2c(=O)n(C)c(=O)nc1-2 | [C][N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring2][Ring1][Ring1][Ring1][=Branch2] | Cn1nc3nc2c(=O)n(C)c(=O)nc1-2.c13ccncc1 |
17576 | CC(Nc1cc(=O)n(C)c(=O)n1C)c1ccccc1 | [C][C][Branch2][Ring1][Ring2][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cc(=O)n(C)c(=O)n1C.c14ccccc1.CC24.N23 |
17577 | Cn1c(=O)cc(Nc2ccc(Cl)cc2)[nH]c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][C][Ring1][#C][=O] | Cn1c(=O)cc3[nH]c1=O.c14ccc(Cl)cc1.N34 |
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