ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
44353 | CCCC(=O)Nc1cc(C)c(NC(=O)C2CC2)cn1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=N][Ring1][=N] | c15cc(C)c6cn1.CCCC3=O.C47=O.C17CC1.N35.N46 |
44354 | CCCC(=O)Nc1ccc(NC(=O)c2cnccn2)cn1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=N][Ring1][#C] | c15ccc6cn1.c17cnccn1.CCCC3=O.C47=O.N35.N46 |
44355 | CCCC(=O)Nc1ccc(NC(=O)c2ccccn2)cn1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][Ring1][#C] | c15ccc6cn1.c17ccccn1.CCCC3=O.C47=O.N35.N46 |
44356 | CCCC(=O)Nc1cc(C)c(NC(=O)c2ccccn2)cn1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][Ring1][S] | c15cc(C)c6cn1.c17ccccn1.CCCC3=O.C47=O.N35.N46 |
44357 | O=C(Nc1ccc(NC(=O)C2CCCCC2)cn1)c1ccco1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | c15ccc6cn1.C18CCCCC1.c17ccco1.O=C37.C48=O.N35.N46 |
44358 | CCC(=O)Nc1cnc(NC(=O)c2ccco2)cc1C | [C][C][C][=Branch1][C][=O][N][C][=C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][C] | c16cnc5cc1C.c17ccco1.CCC3=O.C47=O.N36.N45 |
44359 | CCCC(=O)Nc1ccc(NC(=O)c2ccco2)nc1 | [C][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][N][=C][Ring1][=C] | c16ccc5nc1.CCCC3=O.c17ccco1.C47=O.N36.N45 |
44361 | O=C(Nc1ccc(NC(=O)c2ccccc2F)cn1)c1ccco1 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | c15ccc6cn1.c18ccccc1F.c17ccco1.O=C37.C48=O.N35.N46 |
44362 | O=C(Nc1ccc(NC(=O)c2ccco2)nc1)c1cccc(F)c1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][=C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16ccc5nc1.c18cccc(F)c1.c17ccco1.O=C38.C47=O.N36.N45 |
44363 | COc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)nc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][=C] | c15ccccc19.c17ccc6nc1.c18ccco1.C39=O.C48=O.CO5.N37.N46 |
44364 | COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)nc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1] | c16cccc%10c1.c18ccc7nc1.c19ccco1.C4%10=O.C59=O.CO6.N48.N57 |
44365 | COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)nc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | c16ccc%10cc1.c18ccc7nc1.c19ccco1.C4%10=O.C59=O.CO6.N48.N57 |
44366 | CC(C)C(=O)Nc1ccc(NC(=O)c2ccco2)nc1 | [C][C][Branch1][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][N][=C][Ring1][=C] | c16ccc5nc1.CC(C)C3=O.c17ccco1.C47=O.N36.N45 |
44367 | O=C(CCc1ccccc1)Nc1ccc(NC(=O)c2ccco2)nc1 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][=C] | c16ccc5nc1.c18ccccc1.O=C3CC8.c17ccco1.C47=O.N36.N45 |
44368 | O=C(Nc1ccc(NC(=O)C2CC2)cn1)c1ccco1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=N][Ring1][N][C][=C][C][=C][O][Ring1][Branch1] | c15ccc6cn1.c17ccco1.O=C37.C48=O.C18CC1.N35.N46 |
44369 | O=C(Nc1ccc(NC(=O)c2ccco2)nc1)c1cnccn1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][=C][C][=C][N][=C][C][=N][Ring1][=Branch1] | c16ccc5nc1.c17cnccn1.c18ccco1.O=C37.C48=O.N36.N45 |
44370 | CC(C)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cn1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=N][Ring1][=N] | c14ccc5cn1.C3(=O)C(C)(C)C.CC(C)C2=O.N24.N35 |
44371 | CC(C)C(=O)Nc1ccc(NC(=O)C2CCCCC2)cn1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring1][#C] | c15ccc6cn1.C17CCCCC1.CC(C)C3=O.C47=O.N35.N46 |
44372 | CC(C)C(=O)Nc1ccc(NC(=O)c2ccco2)cn1 | [C][C][Branch1][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][=N][Ring1][=C] | c15ccc6cn1.CC(C)C3=O.c17ccco1.C47=O.N35.N46 |
44373 | CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cn1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=N][Ring1][S] | c15ccc6cn1.c17cccc(F)c1.CC(C)C3=O.C47=O.N35.N46 |
44376 | COc1ccc(C(=O)Nc2cnc(NC(=O)C(C)C)cc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][N][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][Ring1][N][C][C][=C][Ring2][Ring1][=Branch1] | c17cnc6cc1C.c15ccc8cc1.C4(=O)C(C)C.C38=O.CO5.N37.N46 |
44377 | CC(C)C(=O)Nc1ccc(NC(=O)c2cccnc2)cn1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][Ring1][#C] | c15ccc6cn1.c17cccnc1.CC(C)C3=O.C47=O.N35.N46 |
44378 | Cc1cc(NC(=O)C(C)C)ncc1NC(=O)C(C)C | [C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=N][C][=C][Ring1][N][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | Cc1cc4ncc15.C2(=O)C(C)C.C3(=O)C(C)C.N24.N35 |
44379 | CC(C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cn1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][P] | c15ccc6cn1.c17ccccc1.CC(C)C3=O.C4(=O)CC7.N35.N46 |
44380 | CC(C)C(=O)Nc1ccc(NC(=O)c2cnccn2)cn1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=N][Ring1][#C] | c15ccc6cn1.c17cnccn1.CC(C)C3=O.C47=O.N35.N46 |
44381 | O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1ccccc1F | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16ccc5nc1.c18ccccc1F.O=C38.C47=O.C17CC1.N36.N45 |
44382 | Cc1ccnc(N2CCCC(C(=O)NCc3ccccc3Cl)C2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][#Branch2][N][C][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring1][P][=N][Ring2][Ring1][#Branch1] | Cc1ccnc6n1.N16CCCC7C1.c18ccccc1Cl.C47=O.N45.C58 |
44383 | COc1ccccc1C(=O)Nc1ccc(NC(=O)C2CC2)nc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][N][=C][Ring1][N] | c15ccccc19.c17ccc6nc1.C39=O.C48=O.C18CC1.CO5.N37.N46 |
44384 | COc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][N][=C][Ring1][N][=C][Ring2][Ring1][Branch1] | c16cccc%10c1.c18ccc7nc1.C4%10=O.C59=O.C19CC1.CO6.N48.N57 |
44385 | COc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][N][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c16ccc%10cc1.c18ccc7nc1.C4%10=O.C59=O.C19CC1.CO6.N48.N57 |
44386 | O=C(CCc1ccccc1)Nc1ccc(NC(=O)C2CC2)nc1 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][N][=C][Ring1][N] | c16ccc5nc1.c18ccccc1.O=C3CC8.C47=O.C17CC1.N36.N45 |
44387 | Cc1ccnc(N2CCCC(C(=O)NCc3ccc(Cl)cc3)C2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][=N][N][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][P][=N][Ring2][Ring1][#Branch1] | Cc1ccnc6n1.N16CCCC7C1.c18ccc(Cl)cc1.C47=O.N45.C58 |
44388 | O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1ccccn1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][N][=C][Ring1][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16ccc5nc1.c17ccccn1.O=C37.C48=O.C18CC1.N36.N45 |
44389 | COc1ccccc1CNC(=O)C1CCCN(c2nccc(C)n2)C1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Ring1][=N] | c14ccccc18.C17CCCN6C1.c16nccc(C)n1.C37=O.CO4.C58.N35 |
44390 | Cc1cc(NC(=O)C2CC2)ncc1NC(=O)c1ccccn1 | [C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][C][=C][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1cc5ncc16.c17ccccn1.C38=O.C18CC1.C47=O.N35.N46 |
44391 | CCC(=O)Nc1ccc(NC(=O)c2ccc(OC)cc2)nc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=C][Ring1][P] | c17ccc6nc1.c18ccc5cc1.CCC3=O.C48=O.N37.N46.O5C |
44393 | Cc1ccc(CNC(=O)C2CCCN(c3nccc(C)n3)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc8cc1.C17CCCN6C1.c16nccc(C)n1.C47=O.C58.N45 |
44394 | Cc1ccnc(N2CCCC(C(=O)NC3CCCCCC3)C2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][S][=N][Ring2][Ring1][=Branch1] | Cc1ccnc5n1.N15CCCC7C1.C16CCCCCC1.C47=O.N46 |
44395 | Cc1ccnc(N2CCCC(C(=O)Nc3ccc(C)c(F)c3)C2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][#C][N][C][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][P][=N][Ring2][Ring1][#Branch1] | c16ccc(C)c(F)c1.Cc1ccnc5n1.N15CCCC7C1.C47=O.N46 |
44396 | CC(=O)N(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O | [C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][NH1][C][Ring1][O][=O] | c17cc2ccc(C)cc2[nH]c1=O.c16cccs1.CC3=O.N345.C46.C57 |
44397 | O=C(c1ccccc1F)N1CCC(c2nc3ccccc3s2)CC1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring1][#C] | c16nc2ccccc2s1.c15ccccc1F.N14CCC6CC1.O=C45 |
44398 | COc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=N][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c15ccc8cc1.c16ccc7cn1.C4(=O)C(C)C.C38=O.CO5.N36.N47 |
44399 | COc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=N][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c16ccc%10cc1.c17ccc8cn1.C4%10=O.C59=O.C19CC1.CO6.N47.N58 |
44403 | CCC(=O)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O | [C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][=C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O] | c17cc2ccc(C)c(C)c2[nH]c1=O.c16ccco1.CCC3=O.N345.C46.C57 |
44404 | O=C(c1ccco1)N1CCC(c2nc(-c3cccs3)no2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][C][C][Ring1][S] | N14CCC7CC1.c17nc6no1.c15ccco1.c16cccs1.O=C45 |
44406 | Cc1cc2cc(C#N)c(N3CCN(S(C)(=O)=O)CC3)nc2cc1C | [C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][N][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][C] | Cc1cc2cc(C#N)c5nc2cc1C.N15CCN4CC1.S4(C)(=O)=O |
44407 | COc1cc2cc(C#N)c(N3CCCC3)nc2cc1OC | [C][O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][Ring1][=N][C][=C][Ring1][P][O][C] | c14cc2cc(C#N)c6nc2cc15.N16CCCC1.CO4.O5C |
44409 | O=C1CN=C(Nc2ccc(F)cc2)N1c1ccccc1 | [O][=C][C][N][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1CN=C(N3)N14.c13ccc(F)cc1.c14ccccc1 |
44410 | Cc1cccc(NC2=NCC(=O)N2c2ccccc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | N3C1=NCC(=O)N14.Cc1cccc3c1.c14ccccc1 |
44411 | Cc1cccc(NC2=NCC(=O)N2c2ccccc2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][C] | Cc1cccc3c1C.N3C1=NCC(=O)N14.c14ccccc1 |
44412 | COc1cccc(NC2=NCC(=O)N2c2ccccc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | N4C1=NCC(=O)N15.c13cccc4c1.c15ccccc1.CO3 |
44413 | COc1ccc(NC2=NCC(=O)N2c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | N4C1=NCC(=O)N15.c13ccc4cc1.c15ccccc1.CO3 |
44415 | Cc1ccc(NC2=NCC(=O)N2c2ccccc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C] | Cc1ccc3cc1C.N3C1=NCC(=O)N14.c14ccccc1 |
44416 | Cc1cc(C)cc(NC2=NCC(=O)N2c2ccccc2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | Cc1cc3cc(C)c1.N3C1=NCC(=O)N14.c14ccccc1 |
44417 | COc1cccc(NC2=NCC(=O)N2c2cc(C)ccc2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=N][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | N4C1=NCC(=O)N15.c15cc(C)ccc1C.c13cccc4c1.CO3 |
44418 | COc1ccc(NC2=NCC(=O)N2c2cc(C)ccc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=N][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Branch1] | N4C1=NCC(=O)N15.c15cc(C)ccc1C.c13ccc4cc1.CO3 |
44419 | COc1ccc(NC2=NCC(=O)N2c2ccccc2F)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Ring2] | N4C1=NCC(=O)N15.c13ccc4cc1.c15ccccc1F.CO3 |
44420 | Cc1cc(C)c(NC2=NCC(=O)N2c2ccccc2F)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][N][C][=N][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1cc(C)c3c(C)c1.N3C1=NCC(=O)N14.c14ccccc1F |
44421 | CCOc1ccc(N2C(=O)CN=C2Nc2ccc(F)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | N16C(=O)CN=C1N5.c14ccc6cc1.c15ccc(F)cc1.CC3.O34 |
44422 | CCOc1ccc(N2C(=O)CN=C2Nc2ccccc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | N16C(=O)CN=C1N5.c14ccc6cc1.c15ccccc1.CC3.O34 |
44423 | CCOc1ccc(N2C(=O)CN=C2Nc2cccc(C)c2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | N16C(=O)CN=C1N5.c14ccc6cc1.c15cccc(C)c1.CC3.O34 |
44424 | CCOc1ccc(N2C(=O)CN=C2Nc2ccc(C)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | N16C(=O)CN=C1N5.c14ccc6cc1.c15ccc(C)cc1.CC3.O34 |
44425 | CCOc1ccc(N2C(=O)CN=C2Nc2cccc(OC)c2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | N17C(=O)CN=C1N6.c14ccc7cc1.c16cccc5c1.CC3.O34.O5C |
44426 | CCOc1ccc(N2C(=O)CN=C2Nc2ccc(OC)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | N17C(=O)CN=C1N6.c14ccc7cc1.c16ccc5cc1.CC3.O34.O5C |
44427 | CCOc1ccc(NC2=NCC(=O)N2c2ccc(OCC)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=N][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1] | N7C1=NCC(=O)N18.c15ccc7cc1.c18ccc6cc1.CC3.O35.O46.C4C |
44428 | COc1ccc(N2C(=O)CN=C2Nc2ccc(F)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][O][C] | c13ccc6cc14.N16C(=O)CN=C1N5.c15ccc(F)cc1.CO3.O4C |
44434 | CCC(C)NC(=O)Cn1nnc(-c2ccc(F)cc2)n1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N] | c16ccc(F)cc1.n15nnc6n1.CCC4C.C3(=O)C5.N34 |
44435 | O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)CCC2 | [O][=C][Branch2][Ring1][=Branch1][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1] | c14ccc2c(c1)CCC2.c16ccc(F)cc1.n15nnc6n1.O=C3C5.N34 |
44436 | COc1ccc(-c2nnn(CC(=O)NC(C)C)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][=N][N][Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][N][=Ring1][N][C][=C][Ring2][Ring1][C][O][C] | c14ccc8cc15.c18nnn7n1.C7C3=O.C6(C)C.CO4.N36.O5C |
44438 | CC(C)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N] | c16ccc(Cl)cc1.n15nnc6n1.C3(=O)C5.CC4C.N34 |
44439 | CC(NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1cccs1 | [C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][C][=C][S][Ring1][Branch1] | c17ccc(Cl)cc1.n15nnc7n1.c16cccs1.C3(=O)C5.CC46.N34 |
44440 | c1ccc(CCn2nnnc2CN2CCCc3ccccc32)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][N][N][=N][N][=C][Ring1][Branch1][C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch2] | N14CCCc2ccccc21.c1ccc7cc1.n15nnnc16.C7C5.C46 |
44441 | COc1ccc(C(=O)NC2CCN(C(=O)c3csnn3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c16ccc9cc1.C17CCN5CC1.c18csnn1.C49=O.C58=O.CO6.N47 |
44442 | Cc1ccc(NC(=O)NC2CCN(C(=O)c3csnn3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.C18CCN6CC1.c19csnn1.C45=O.C69=O.N47.N58 |
44443 | O=C(NC1CC1)c1cc2sccc2n1Cc1ccccc1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cc2sccc2n16.c17ccccc1.O=C35.C14CC1.N34.C67 |
44444 | O=C(c1cc2sccc2n1Cc1ccccc1)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch1][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c14cc2sccc2n15.c16ccccc1.N13CCOCC1.O=C34.C56 |
44445 | O=C(OC(C(=O)NC1CCCC1)c1ccccc1)c1ccno1 | [O][=C][Branch2][Ring1][=Branch2][O][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][O][Ring1][Branch1] | c17ccccc1.C47C3=O.C15CCCC1.c16ccno1.O=C26.O24.N35 |
44446 | O=C(OC(C(=O)NC1CCCC1)c1ccc(F)cc1)c1ccno1 | [O][=C][Branch2][Ring1][N][O][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=N][O][Ring1][Branch1] | c17ccc(F)cc1.C47C3=O.C15CCCC1.c16ccno1.O=C26.O24.N35 |
44447 | COc1ccc(C(OC(=O)c2ccno2)C(=O)NC2CCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] | c16ccc9cc1.C59C4=O.c18ccno1.C17CCCC1.C38=O.CO6.O35.N47 |
44448 | Cc1occc1-c1nnc(SCC(N)=O)n1CC1CCCO1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][C][C][C][O][Ring1][Branch1] | c16nnc5n13.Cc1occc16.C14CCCO1.C2C(N)=O.S25.C34 |
44449 | Cc1noc(C)c1C(=O)OC(C(=O)NC1CCCC1)c1ccccc1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1noc(C)c16.c17ccccc1.C47C3=O.C15CCCC1.C26=O.O24.N35 |
44450 | Cc1cccc(-n2c(SCC(N)=O)nnc2-c2ccoc2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1cccc4c1.n14c5nnc16.c16ccoc1C.C3C(N)=O.S35 |
44451 | Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccoc2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][C][=C][O][C][=Ring1][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc4cc1.n14c5nnc16.c16ccoc1C.C3C(N)=O.S35 |
44452 | Cc1occc1-c1nnc(SCC(N)=O)n1CCc1ccccc1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnc5n13.Cc1occc16.c14ccccc1.C2C(N)=O.C3C4.S25 |
44453 | Cc1occc1-c1nnc(SCC(N)=O)n1CC(C)C | [C][C][O][C][=C][C][=Ring1][Branch1][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][Branch1][C][C][C] | c15nnc4n13.Cc1occc15.C2C(N)=O.C3C(C)C.S24 |
44454 | Cc1occc1-c1nnc(SCC(=O)NC2CCCC2)n1C | [C][C][O][C][=C][C][=Ring1][Branch1][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][Ring1][#C][C] | c17nnc6n1C.Cc1occc17.C15CCCC1.C4C3=O.S46.N35 |
44455 | CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccoc1C | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=N][N][=C][Ring1][#C][C][C][=C][O][C][=Ring1][Branch1][C] | n16c7nnc18.c18ccoc1C.C15CCCC1.C4C3=O.CC6.S47.N35 |
44457 | CCCn1c(SCC(=O)N2CCCC2)nnc1-c1cccnc1 | [C][C][C][N][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][N][=C][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1] | n15c6nnc17.c17cccnc1.N13CCCC1.C4C3=O.CCC5.S46 |
44458 | CC(=O)c1cccc(-n2nnnc2SCC(=O)N2CCCC2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][Ring2] | c15cccc6c1.n16nnnc17.N13CCCC1.C4C3=O.CC5=O.S47 |
44459 | O=C(C1CCC1)N1CCN(c2nnnn2-c2ccccc2)CC1 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][C][C][N][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P] | N13CCN4CC1.c14nnnn16.c16ccccc1.C15CCC1.O=C35 |
44460 | O=C1CC(C(=O)NC2CCCCC2)(c2ccco2)N1c1ccccc1 | [O][=C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1CC57N16.C14CCCCC1.c16ccccc1.c17ccco1.C35=O.N34 |
44461 | O=C(Cn1nnc(-c2ccccc2-n2cnnn2)n1)N1CCCCC1 | [O][=C][Branch2][Ring1][#Branch2][C][N][N][=N][C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=N][Ring1][Branch1][=N][Ring1][S][N][C][C][C][C][C][Ring1][=Branch1] | c16ccccc15.n14nnc6n1.N13CCCCC1.n15cnnn1.O=C3C4 |
44462 | Cc1cc(C)nc(N2CCCC(C(=O)NCCC(C)C)C2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][#Branch1][N][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][=C][=N][Ring2][Ring1][Branch1] | Cc1cc(C)nc5n1.N15CCCC6C1.C4CC(C)C.C36=O.N34 |
44463 | c1ccc(CNc2ncnc3c2nnn3Cc2ccccc2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2] | c15ncnc2c1nnn26.c1ccc7cc1.c18ccccc1.C47.N45.C68 |
44464 | Cc1noc(C)c1CCNC(=O)c1cc(C(C)(C)C)nn1C | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][N][Ring1][=Branch2][C] | Cc1noc(C)c16.c14cc5nn1C.C5(C)(C)C.C6C3.C24=O.N23 |
44465 | CC(NC(=O)c1cc(C(C)(C)C)nn1C)c1nc2ccccc2[nH]1 | [C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][N][Ring1][=Branch2][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16nc2ccccc2[nH]1.c15cc7nn1C.C7(C)(C)C.CC46.C35=O.N34 |
44466 | Cc1cc(C)nc(N2CCN(S(C)(=O)=O)CC2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][=N][Ring1][P] | Cc1cc(C)nc4n1.N14CCN3CC1.S3(C)(=O)=O |
44467 | CC1CCCN(C(=O)CN2C(=O)COc3ccccc32)C1 | [C][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][Ring2][Ring1][Ring2] | C4(=O)CN1C(=O)COc2ccccc21.CC1CCCN4C1 |
44469 | O=C(CN1C(=O)COc2ccccc21)Nc1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C3CN1C(=O)COc2ccccc21.c14ccccc1.N34 |
44470 | Cc1ccc(NC(=O)CN2C(=O)COc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | C4(=O)CN1C(=O)COc2ccccc21.Cc1ccc5cc1.N45 |
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