ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1924460 | CCN(CC(F)(F)F)C(=O)CN1C(=O)OCC1c1ccccc1 | [C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | N15C(=O)OCC16.c16ccccc1.C4C(F)(F)F.C2(=O)C5.N234.CC3 |
1924461 | Cc1ccccc1C1CCCN(c2nc(CO)cs2)C1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Branch1][N][C][=N][C][Branch1][Ring1][C][O][=C][S][Ring1][#Branch1][C][Ring1][=N] | Cc1ccccc15.C15CCCN3C1.c13nc4cs1.C4O |
1924462 | COc1cccn(CC(=O)N2CCC(Cn3cc(C)cn3)CC2)c1=O | [C][O][C][=C][C][=C][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][N][C][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][C][Ring2][Ring1][=Branch1][=O] | c15cccn6c1=O.N14CCC8CC1.n17cc(C)cn1.C6C4=O.CO5.C78 |
1924463 | Cn1nc2n(c1=O)CC(c1nc(-c3cccnn3)no1)CC2 | [C][N][N][=C][N][Branch1][Branch1][C][Ring1][Branch1][=O][C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=N][Ring1][=Branch1][=N][O][Ring1][O][C][C][Ring2][Ring1][Ring1] | Cn1nc2n(c1=O)CC5CC2.c15nc4no1.c14cccnn1 |
1924464 | Cc1nn(C)c2nc(N3CCC(c4nncn4C)CC3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][N][S][C][Ring2][Ring1][Branch1][=Ring1][P] | Cc1nn(C)c2nc5sc12.N15CCC6CC1.c16nncn1C |
1924465 | Cn1ccnc1SCCNC(=O)C1COc2ccccc2C1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | C16COc2ccccc2C1.Cn1ccnc17.C5C4.C36=O.S57.N34 |
1924466 | O=C(NCCN1CCNC1=O)C1CCOc2ccccc2C1 | [O][=C][Branch1][N][N][C][C][N][C][C][N][C][Ring1][Branch1][=O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O] | C15CCOc2ccccc2C1.N16CCNC1=O.O=C35.C4C6.N34 |
1924467 | O=c1[nH]c(N2CCCC2)nc2c1Cc1ccccc1OC2 | [O][=C][NH1][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][=C][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O] | O=c1[nH]c3nc2c1Cc1ccccc1OC2.N13CCCC1 |
1924469 | CC(C)c1cc(CN(C)C(=O)CN2C(=O)OCC2C(C)C)no1 | [C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][#Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][C][Ring1][=Branch1][C][Branch1][C][C][C][=N][O][Ring2][Ring1][Ring2] | N15C(=O)OCC16.c17cc8no1.C3(=O)C5.CC7C.N34C.C6(C)C.C48 |
1924470 | CCCn1cc(NC(=O)NCCSc2ccccn2)nn1 | [C][C][C][N][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=N][Ring2][Ring1][C] | n18cc7nn1.c19ccccn1.CCC8.C34=O.C5C6.N37.N45.S69 |
1924471 | Cc1ccccc1C(CC(=O)NCc1n[nH]c(N)n1)c1ccccc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][=N][NH1][C][Branch1][C][N][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1ccccc15.C56CC2=O.c14n[nH]c(N)n1.c16ccccc1.N23.C34 |
1924472 | CCOc1cc(CN(C)C(=O)CN2CCCCC2=O)ccc1OC | [C][C][O][C][=C][C][Branch2][Ring1][Ring2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][=C][C][=C][Ring2][Ring1][Ring1][O][C] | c15cc9ccc16.N18CCCCC1=O.C3(=O)C8.N37C.CC4.O45.C79.O6C |
1924473 | CC(c1ccccc1)n1nccc1NC(=O)NCC1CCOCC1 | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][O][C][C][Ring1][=Branch1] | c18ccccc1.n16nccc15.C17CCOCC1.CC68.C23=O.N25.N34.C47 |
1924474 | CN(Cc1cc[nH]n1)C(=O)C1COc2ccccc2C1 | [C][N][Branch1][=Branch2][C][C][C][=C][NH1][N][=Ring1][Branch1][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | C15COc2ccccc2C1.c16cc[nH]n1.CN34.C35=O.C46 |
1924475 | CCOCc1nc(CSc2ccncc2)n(C)n1 | [C][C][O][C][C][N][=C][Branch1][O][C][S][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Branch1][C][C][N][=Ring1][=C] | c16nc7n(C)n1.c18ccncc1.CC3.O34.C46.C57.S58 |
1924476 | Cc1cnn(CCc2nc3c([nH]2)CCCNC3=O)c1 | [C][C][C][=N][N][Branch2][Ring1][Ring2][C][C][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][C][C][N][C][Ring1][Branch2][=O][C][=Ring2][Ring1][C] | c15nc2c([nH]1)CCCNC2=O.Cc1cnn4c1.C4C5 |
1924477 | CSc1cccc(CN(C)C(=O)CN2CCCCC2=O)c1 | [C][S][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][=C][Ring2][Ring1][Ring1] | c17cccc6c1.N15CCCCC1=O.C3(=O)C5.N34C.CS7.C46 |
1924479 | Cc1[nH]nc(CCc2nc(-c3ccco3)nn2C(C)(C)C)c1C | [C][C][NH1][N][=C][Branch2][Ring1][O][C][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Ring2][Ring1][Branch1][C] | Cc1[nH]nc5c1C.c16nc7nn14.c17ccco1.C4(C)(C)C.C5C6 |
1924480 | Cn1nc2c(c1NC(=O)NC1c3ccccc3CC1O)CCC2 | [C][N][N][=C][C][=Branch2][Ring1][Branch2][=C][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O][C][C][C][Ring2][Ring1][Ring2] | N5C1c2ccccc2CC1O.Cn1nc2c(c16)CCC2.C45=O.N46 |
1924481 | COc1cccc2c1OCC(CNC(=O)CCCn1cncn1)C2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][C][N][C][=N][C][=N][Ring1][Branch1][C][Ring2][Ring1][C] | c14cccc2c1OCC7C2.C3(=O)CCC6.n16cncn1.CO4.C57.N35 |
1924482 | CNC(=O)c1cc(NC(=O)N2CC=C(C)CC2)ccc1OC | [C][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][S][O][C] | c18cc7ccc16.N15CC=C(C)CC1.C38=O.C45=O.CN3.N47.O6C |
1924483 | CC(=O)NC(CC(C)C)c1nc(-c2ccc(C)nn2)no1 | [C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][N][=N][Ring1][#Branch1][=N][O][Ring1][N] | c16ccc(C)nn1.C45CC(C)C.c15nc6no1.CC3=O.N34 |
1924484 | Cc1cc(S(=O)(=O)N2CCCC(C)(c3ccccc3)C2)n(C)n1 | [C][C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][N][Branch1][C][C][N][=Ring2][Ring1][=Branch1] | Cc1cc(S4(=O)=O)n(C)n1.N14CCCC5(C)C1.c15ccccc1 |
1924485 | CCn1ncnc1C(C)NC(=O)C1CCN(C(=O)COC)CC1 | [C][C][N][N][=C][N][=C][Ring1][Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][O][C][C][C][Ring1][O] | C16CCN3CC1.n17ncnc18.C3(=O)C4.C58C.C26=O.CC7.N25.O4C |
1924487 | CC(=O)NC1CN(C(=O)c2cc(C)oc2C)CC1c1ccc(C)o1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][C][Ring1][=C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1] | C15CN4CC17.c16cc(C)oc1C.c17ccc(C)o1.CC3=O.C46=O.N35 |
1924488 | CCc1c(C)nn(C)c1NC(=O)NCc1ccncc1 | [C][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c16c(C)nn(C)c15.c17ccncc1.C23=O.CC6.N25.N34.C47 |
1924489 | COc1cccc2c1OCC(CNC(=O)c1cccn1C)C2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][Ring1][S] | c14cccc2c1OCC7C2.c16cccn1C.C36=O.CO4.C57.N35 |
1924490 | CN(CCC(C)(C)O)c1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 | [C][N][Branch1][O][C][C][C][Branch1][C][C][Branch1][C][C][O][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C] | c14nc2c(c(=O)[nH]1)Cc1ccccc1OC2.C3CC(C)(C)O.CN34 |
1924491 | COc1ccccc1CC(C)N(C)C(=O)Cn1cccc(OC)c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Ring1][Branch2][=O] | n16cccc4c1=O.c13ccccc17.C7C5C.C2(=O)C6.N25C.CO3.O4C |
1924492 | Cc1ccccc1C(C(=O)N(C)Cc1cccc(O)c1)N(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][Branch1][C][C][C] | Cc1ccccc15.c16cccc(O)c1.C35C2=O.N24C.N3(C)C.C46 |
1924493 | Cc1cc(CN(C)C(=O)C2COc3ccccc3C2)n[nH]1 | [C][C][=C][C][Branch2][Ring1][Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][NH1][Ring2][Ring1][Ring2] | C16COc2ccccc2C1.Cc1cc7n[nH]1.N45C.C46=O.C57 |
1924494 | Cc1nn(C)c2nc(NCc3noc(C(C)C)n3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch1][P][N][C][C][=N][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2][S][C][Ring2][Ring1][Ring1][=Ring1][#C] | Cc1nn(C)c2nc5sc12.c16noc7n1.C7(C)C.N45.C46 |
1924496 | COC1C2CCC1CN(C(=O)Cn1sc3ccccc3c1=O)C2 | [C][O][C][C][C][C][C][Ring1][Branch1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][C][Ring2][Ring1][Ring2] | n16sc2ccccc2c1=O.C15C2CCC1CN4C2.C4(=O)C6.CO5 |
1924497 | O=C1CC(c2ccccc2)CN1Cc1noc(C2CCCC2)n1 | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][O][C][C][=N][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][Ring1][#Branch2] | O=C1CC6CN13.c16ccccc1.c14noc5n1.C15CCCC1.C34 |
1924499 | COc1cc(NC(=O)NCC2CCCO2)cc(-n2nnnc2C)c1 | [C][O][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][C][Branch1][=Branch2][N][N][=N][N][=C][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | c15cc7cc9c1.n19nnnc1C.C18CCCO1.C34=O.CO5.N37.N46.C68 |
1924500 | NC(=O)C1(c2nc(-c3ccccn3)nn2-c2ccccc2F)CC1 | [N][C][=Branch1][C][=O][C][Branch2][Ring1][O][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring2][Ring1][Branch1] | c17nc6nn15.c15ccccc1F.c16ccccn1.C147CC1.NC4=O |
1924501 | Cc1nn(C)c2nc(N3CCN(CC(=O)NC(C)C)CC3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][=N][S][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C] | Cc1nn(C)c2nc7sc12.N17CCN5CC1.C5C4=O.C6(C)C.N46 |
1924502 | Cc1cc(C)n(C2CN(C(=O)Nc3cccc4c3CCCC4)C2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][C][Ring1][P][N][=Ring2][Ring1][#Branch1] | c17cccc2c1CCCC2.Cc1cc(C)n8n1.C18CN5C1.C56=O.N67 |
1924503 | CC(=O)N1CCOC(CNc2ncnc3nc(C)cc(C)c23)C1 | [C][C][=Branch1][C][=O][N][C][C][O][C][Branch2][Ring1][#Branch1][C][N][C][=N][C][=N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][N][Ring1][Branch2][C][Ring2][Ring1][Ring2] | c16ncnc2nc(C)cc(C)c12.N14CCOC7C1.CC4=O.C57.N56 |
1924504 | CCn1cc(CN(C)C(=O)C(c2ccccc2C)N(C)C)cn1 | [C][C][N][C][=C][Branch2][Ring1][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][=N][Ring2][Ring1][Branch1] | c18ccccc1C.n16cc7cn1.C3(=O)C58.N34C.N5(C)C.CC6.C47 |
1924505 | Cn1cc(NC(=O)N2CCN(C3CCCCC3)C(=O)C2)cn1 | [C][N][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=N][C][=N][Ring2][Ring1][Branch1] | N15CCN7C(=O)C1.Cn1cc6cn1.C17CCCCC1.C45=O.N46 |
1924506 | Cc1cnc(CNC(=O)Nc2c(C)cc(C)nc2C)cn1 | [C][C][=C][N][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][C][C][=N][Ring2][Ring1][Ring2] | c16c(C)cc(C)nc1C.Cc1cnc7cn1.C34=O.C57.N35.N46 |
1924507 | Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC1COc2ccccc2C1 | [C][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | C15COc2ccccc2C1.Cc1[nH]c(=O)[nH]c(=O)c16.C6C3=O.N34.C45 |
1924509 | CC(C)(C)c1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 | [C][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C] | c13nc2c(c(=O)[nH]1)Cc1ccccc1OC2.CC3(C)C |
1924510 | Cc1ccc(N2CCCC(COc3ccccc3F)C2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][C][C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][#C][N][=N][Ring2][Ring1][Branch1] | Cc1ccc6nn1.N16CCCC7C1.c15ccccc1F.C47.O45 |
1924511 | Cc1ccc(SCc2nc3c([nH]2)CCCNC3=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][C][C][N][C][Ring1][Branch2][=O][C][=C][Ring2][Ring1][Ring1] | c15nc2c([nH]1)CCCNC2=O.Cc1ccc6cc1.S46.C45 |
1924512 | NC(=O)C1CN(c2ncnc3c2Cc2ccccc2OC3)CCO1 | [N][C][=Branch1][C][=O][C][C][N][Branch2][Ring1][=Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][C][C][O][Ring2][Ring1][Branch1] | c14ncnc2c1Cc1ccccc1OC2.C15CN4CCO1.NC5=O |
1924513 | Cc1n[nH]c(C)c1CCc1nc(C2CC2)nn1CCc1ccccc1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Ring1][Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1n[nH]c(C)c15.c14nc7nn13.c16ccccc1.C5C4.C17CC1.C3C6 |
1924514 | Cc1noc(C)c1CN(C)C(=O)Cn1ncc(N2CCCC2)cc1=O | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][N][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][Ring1][O][=O] | n16ncc5cc1=O.Cc1noc(C)c17.N15CCCC1.C3(=O)C6.N34C.C47 |
1924515 | Cc1nc(CN(C)C(=O)Cn2sc3ccccc3c2=O)cs1 | [C][C][=N][C][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][=C][S][Ring2][Ring1][Branch1] | n16sc2ccccc2c1=O.Cc1nc7cs1.C4(=O)C6.N45C.C57 |
1924516 | O=C(C1COc2ccccc2C1)N(Cc1nccs1)C1CC1 | [O][=C][Branch1][#C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][C][Ring1][Ring1] | C16COc2ccccc2C1.c17nccs1.O=C36.N345.C15CC1.C47 |
1924517 | CCCCc1ccc(NC(=O)NCCc2n[nH]c(C)n2)cc1 | [C][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][C][=N][NH1][C][Branch1][C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c18ccc6cc1.c17n[nH]c(C)n1.CCCC8.C34=O.C5C7.N36.N45 |
1924518 | COc1cccn(Cc2cccc(-n3cccn3)c2)c1=O | [C][O][C][=C][C][=C][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][O][C][Ring2][Ring1][C][=O] | c14cccn5c1=O.c16cccc7c1.n17cccn1.CO4.C56 |
1924520 | CC(c1ccon1)N(C)C(=O)CN1CCOC1=O | [C][C][Branch1][Branch2][C][C][=C][O][N][=Ring1][Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][O][C][Ring1][Branch1][=O] | N14CCOC1=O.c15ccon1.C2(=O)C4.CC35.N23C |
1924521 | O=C1NCCCc2[nH]c(-c3cc(-c4cccc(F)c4)no3)nc21 | [O][=C][N][C][C][C][C][NH1][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][O][Ring1][N][=N][C][=Ring1][P][Ring2][Ring1][=Branch1] | O=C1NCCCc2[nH]c5nc21.c16cccc(F)c1.c15cc6no1 |
1924522 | Cc1nn(C)c2nc(N3CCN(c4ccc(C#N)cn4)CC3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][C][C][Ring1][=C][S][C][Ring2][Ring1][#Branch1][=Ring2][Ring1][Ring1] | Cc1nn(C)c2nc5sc12.c16ccc(C#N)cn1.N15CCN6CC1 |
1924523 | Cc1cc(C)cc(N2CCN(c3ccc(F)cn3)CC2=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C][Ring1][=N][=O][=C][Ring2][Ring1][Branch1] | Cc1cc5cc(C)c1.N15CCN4CC1=O.c14ccc(F)cn1 |
1924524 | COCc1noc(Cn2c(=O)[nH]c3ccccc32)n1 | [C][O][C][C][=N][O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring1][S] | n15c(=O)[nH]c2ccccc21.c16noc7n1.CO4.C46.C57 |
1924525 | Cc1nc(CNc2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)n[nH]1 | [C][C][=N][C][Branch2][Ring1][=N][C][N][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C][=N][NH1][Ring2][Ring1][#Branch1] | c15nc2c(c(=O)[nH]1)Cc1ccccc1OC2.Cc1nc6n[nH]1.C46.N45 |
1924526 | COCC(=O)Nc1cccc(NC(=O)N2CC=C(C)CC2)c1 | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring1][S] | c17cccc8c1.N15CC=C(C)CC1.C6C3=O.C45=O.CO6.N37.N48 |
1924527 | CC1CN(c2ncnc3c2Cc2ccccc2OC3)CC(C)O1 | [C][C][C][N][Branch2][Ring1][=Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][C][C][Branch1][C][C][O][Ring2][Ring1][=Branch1] | c14ncnc2c1Cc1ccccc1OC2.CC1CN4CC(C)O1 |
1924529 | CC(C)c1cc(C(=O)N2CC(NC(=O)N(C)C)C(C(C)C)C2)no1 | [C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][Branch1][O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=C][=N][O][Ring2][Ring1][Branch1] | N13CC6C9C1.c18cc7no1.CC8C.C37=O.C45=O.N5(C)C.C9(C)C.N46 |
1924530 | CNC(=O)Cc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 | [C][N][C][=Branch1][C][=O][C][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C] | c14nc2c(c(=O)[nH]1)Cc1ccccc1OC2.C3(=O)C4.CN3 |
1924531 | COc1ccc2c(c1)OCC(CNC(=O)c1ccccn1)C2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][P] | c14ccc2c(c1)OCC7C2.c16ccccn1.C36=O.CO4.C57.N35 |
1924532 | CCN(Cc1noc(C)n1)c1nc2c(s1)c(C)nn2C | [C][C][N][Branch1][N][C][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C] | c15nc2c(s1)c(C)nn2C.c16noc(C)n1.N345.CC3.C46 |
1924533 | Cc1cc(C2CCCCN2C(=O)Cn2c(=O)[nH]c3ccccc32)no1 | [C][C][=C][C][Branch2][Ring1][=C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][O][Ring2][Ring1][Branch2] | n15c(=O)[nH]c2ccccc21.C16CCCCN14.Cc1cc6no1.C4(=O)C5 |
1924534 | CC1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2cc(N)[nH]n2)C1 | [C][C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][=C][Branch1][C][N][NH1][N][=Ring1][=Branch1][C][Ring2][Ring1][Branch2] | c17ccc2c(c1)OCO2.CC16CCCN4C1.c15cc(N)[nH]n1.C45=O.C67 |
1924536 | CN(Cc1cc(C2CC2)[nH]n1)C(=O)Nc1cccc2c1CCC2 | [C][N][Branch1][S][C][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][N][=Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1] | c16cccc2c1CCC2.c17cc8[nH]n1.CN35.C18CC1.C34=O.C57.N46 |
1924537 | COc1cccc(-n2cc(CN(C)c3nccnc3N(C)C)cn2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=C][Branch2][Ring1][Ring1][C][N][Branch1][C][C][C][=N][C][=C][N][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][=N][Ring1][P][=C][Ring2][Ring1][#Branch1] | c14cccc9c1.c16nccnc17.n19cc8cn1.N56C.N7(C)C.CO4.C58 |
1924538 | O=c1ccc(-c2nc(-c3cccnc3)nn2CC(F)(F)F)c[nH]1 | [O][=C][C][=C][C][Branch2][Ring1][O][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][N][Ring1][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][NH1][Ring2][Ring1][=Branch1] | O=c1ccc5c[nH]1.c15nc6nn14.c16cccnc1.C4C(F)(F)F |
1924539 | O=c1ccccn1Cc1nc(-c2cccnn2)no1 | [O][=C][C][=C][C][=C][N][Ring1][=Branch1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=N][Ring1][=Branch1][=N][O][Ring1][O] | O=c1ccccn13.c14nc5no1.c15cccnn1.C34 |
1924540 | Cc1nc(C(C)Nc2nc3c(s2)c(C)nn3C)cs1 | [C][C][=N][C][Branch2][Ring1][Branch2][C][Branch1][C][C][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][=C][S][Ring2][Ring1][C] | c15nc2c(s1)c(C)nn2C.Cc1nc6cs1.C46C.N45 |
1924541 | CC(C)CC1CC(=O)N(CCCc2cccnc2)C1 | [C][C][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][N][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#C] | C14CC(=O)N3C1.c15cccnc1.CC(C)C4.C3CC5 |
1924542 | CC(C)(C)NC(=O)CNc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C] | c16nc2c(c(=O)[nH]1)Cc1ccccc1OC2.CC4(C)C.C3(=O)C5.N34.N56 |
1924543 | CN(CC1COCCO1)C(=O)Nc1ccccc1-c1ccccc1 | [C][N][Branch1][#Branch2][C][C][C][O][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc17.C16COCCO1.c17ccccc1.CN24.C23=O.C46.N35 |
1924544 | COCc1noc(CN2C(=O)OCC2C(C)C)n1 | [C][O][C][C][=N][O][C][Branch1][P][C][N][C][=Branch1][C][=O][O][C][C][Ring1][=Branch1][C][Branch1][C][C][C][=N][Ring1][#C] | N14C(=O)OCC15.c16noc7n1.C5(C)C.CO3.C36.C47 |
1924545 | CCn1cc(CN(C)C(=O)CN2CC(c3ccccc3)CC2=O)cn1 | [C][C][N][C][=C][Branch2][Ring1][=N][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][=O][C][=N][Ring2][Ring1][#Branch1] | N17CC9CC1=O.n16cc8cn1.c19ccccc1.C4(=O)C7.N45C.CC6.C58 |
1924546 | Cc1nc(CNc2nc3c(s2)c(C)nn3C)nc2c1CCCC2 | [C][C][=N][C][Branch2][Ring1][Branch1][C][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][=N][C][=C][Ring2][Ring1][C][C][C][C][C][Ring1][=Branch1] | Cc1nc6nc2c1CCCC2.c15nc2c(s1)c(C)nn2C.C46.N45 |
1924547 | CNC(=O)CCC(C)(C)NC(=O)c1c(C)c(C)nc2ccc(C)cc12 | [C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][C][C][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][=N][Ring1][#Branch1] | c16c(C)c(C)nc2ccc(C)cc12.C3(=O)CCC5(C)C.C46=O.CN3.N45 |
1924549 | O=C1OCC(c2ccccc2)N1Cc1ccncc1 | [O][=C][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | O=C1OCC5N13.c15ccccc1.c14ccncc1.C34 |
1924550 | CN(CCc1cnn(C)c1)C(=O)CN1C(=O)COc2ccccc21 | [C][N][Branch1][=N][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | C3(=O)CN1C(=O)COc2ccccc21.c15cnn(C)c1.CN34.C4C5 |
1924551 | Cc1nc(CC2CCN(C(=O)CN3CCNC3=O)CC2)no1 | [C][C][=N][C][Branch2][Ring1][=Branch2][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][N][C][C][N][C][Ring1][Branch1][=O][C][C][Ring1][#C][=N][O][Ring2][Ring1][Branch1] | C17CCN4CC1.Cc1nc6no1.N15CCNC1=O.C4(=O)C5.C67 |
1924552 | CCCn1cnnc1CNC(=O)C1COc2ccccc2C1 | [C][C][C][N][C][=N][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | C15COc2ccccc2C1.n16cnnc17.CCC6.C35=O.C47.N34 |
1924553 | Cc1nc(C(C)N2CCCC2=O)n(C(C)(C)C)n1 | [C][C][N][=C][Branch1][=N][C][Branch1][C][C][N][C][C][C][C][Ring1][Branch1][=O][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=Ring1][P] | Cc1nc5n3n1.N14CCCC1=O.C3(C)(C)C.C45C |
1924554 | COC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 | [C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][S] | N14CCC2(CC1)CC(=O)N5C2.c16ccc(Cl)cc1.C34=O.CO3.C56 |
1924556 | CCCn1cc(NC(=O)NC(C)Cn2cncn2)nn1 | [C][C][C][N][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][N][C][=N][C][=N][Ring1][Branch1][N][=N][Ring1][P] | n17cc6nn1.n18cncn1.C5(C)C8.CCC7.C34=O.N36.N45 |
1924557 | Cc1nc(CCNC(=O)Nc2ccc(Cl)c(C)c2Cl)n[nH]1 | [C][C][=N][C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][Cl][=N][NH1][Ring2][Ring1][Ring2] | c16ccc(Cl)c(C)c1Cl.Cc1nc7n[nH]1.C7C5.C34=O.N35.N46 |
1924558 | COCCc1nc(-c2cnccn2)n(CCc2ccccc2)n1 | [C][O][C][C][C][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Ring1] | c15nc7n4n1.c17cnccn1.c16ccccc1.C3C5.C4C6.CO3 |
1924559 | CC(C)c1nnsc1CNC(=O)C1CCOc2ccccc2C1 | [C][C][Branch1][C][C][C][N][=N][S][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O] | C15CCOc2ccccc2C1.c16nnsc17.CC6C.C35=O.C47.N34 |
1924560 | Cc1nnc(CCNC(=O)C(c2cccnc2)N2CCOCC2)s1 | [C][C][=N][N][=C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][S][Ring2][Ring1][#Branch1] | Cc1nnc6s1.c17cccnc1.N15CCOCC1.C3(=O)C57.C6C4.N34 |
1924562 | CN(CC1COCCO1)c1ncnc2c1Cc1ccccc1OC2 | [C][N][Branch1][#Branch2][C][C][C][O][C][C][O][Ring1][=Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O] | c14ncnc2c1Cc1ccccc1OC2.C15COCCO1.CN34.C35 |
1924563 | COc1nccnc1N1CC2CCC(C1)N(Cc1ccccn1)C2=O | [C][O][C][=N][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=C][=O] | N14CC2CCC(C1)N5C2=O.c13nccnc14.c16ccccn1.CO3.C56 |
1924564 | Cc1cc(C)c2c(NC(C)Cn3nc(C)cc3C)ncnc2n1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][C][N][C][Branch1][C][C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][C][=N][C][Ring1][P][=N][Ring2][Ring1][=Branch1] | Cc1cc(C)c2c5ncnc2n1.n16nc(C)cc1C.C4(C)C6.N45 |
1924565 | CC1CN(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][=C][C][=N][NH1][Ring1][Branch1][=C][Ring1][O][C][C][Branch1][C][C][O][Ring2][Ring1][Branch1] | CC1CN4CC(C)O1.c16cccc7c1.c17ccn[nH]1.C45=O.N56 |
1924566 | CNC(=O)C1CC(NC(=O)Cn2cnnn2)CN1Cc1ccc(C)o1 | [C][N][C][=Branch1][C][=O][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][N][C][=N][N][=N][Ring1][Branch1][C][N][Ring1][=C][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1] | C17CC6CN15.c19ccc(C)o1.n18cnnn1.C4(=O)C8.C37=O.CN3.N46.C59 |
1924567 | c1ccc(-c2nc(C3CCOC3)n(C3Cc4ccccc4C3)n2)nc1 | [C][=C][C][=C][Branch2][Ring1][P][C][N][=C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][N][Branch1][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][N][=Ring2][Ring1][Ring1][N][=C][Ring2][Ring1][=Branch2] | C15Cc2ccccc2C1.c16nc7n5n1.c1ccc6nc1.C17CCOC1 |
1924568 | CCOc1ccc(OCc2nc(C3CCOC3)n(CC)n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][N][=C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][N][Branch1][Ring1][C][C][N][=Ring1][N][C][=C][Ring2][Ring1][Ring2] | c16ccc7cc1.c19nc%10n8n1.C1%10CCOC1.CC4.O46.O57.C59.C8C |
1924569 | Cc1cc(C2CCCN2C(=O)CN2C(=O)COc3ccccc32)on1 | [C][C][C][=C][Branch2][Ring1][=C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][O][N][=Ring2][Ring1][Branch2] | C4(=O)CN1C(=O)COc2ccccc21.Cc1cc5on1.C15CCCN14 |
1924570 | O=C1CC2CCC(CN1)N2C(=O)Nc1ccccc1-n1cccn1 | [O][=C][C][C][C][C][C][Branch1][Branch1][C][N][Ring1][Branch2][N][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1] | O=C1CC2CCC(CN1)N23.c15ccccc16.n16cccn1.C34=O.N45 |
1924571 | Cc1cc(=O)[nH]c(NCCNC(=O)Nc2ccc(C(C)(C)C)cc2)n1 | [C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][N][N][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][Branch2] | Cc1cc(=O)[nH]c7n1.c18ccc9cc1.C9(C)(C)C.C5C6.C34=O.N57.N36.N48 |
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