ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
16475 | Oc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1 | [O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][#Branch1] | c14nc5c2ccccc2n1.Oc1ccc6cc1.N15CCOCC1.N46 |
16476 | CSc1nc2c(c(=O)n1Cc1ccccc1)SC(C)C2 | [C][S][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Branch1][C][C][C][Ring1][S] | c15nc2c(c(=O)n13)SC(C)C2.c14ccccc1.CS5.C34 |
16477 | CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(C)=O | [C][C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Ring2][O][C][C][C][=C][Ring2][Ring1][C][N][C][Branch1][C][C][=O] | c17cc9c8cc1%10.c1%11ccccc1.C3%11=O.C4(C)=O.CC5.O57.N39.O68.C6C.N4%10 |
16478 | CCc1nnc(NC(=O)CSc2ccccn2)s1 | [C][C][C][=N][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][S] | c16nnc5s1.c17ccccn1.C3(=O)C4.CC6.N35.S47 |
16479 | Cc1nnc(NC(=O)C(C)Sc2ccccn2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][P] | Cc1nnc5s1.c16ccccn1.C3(=O)C4C.N35.S46 |
16480 | COc1cccc(OCC(O)Cn2nnc3ccccc32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][Branch1][C][O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | n17nnc2ccccc21.c15cccc6c1.C4C(O)C7.CO5.O46 |
16481 | Cc1cc(C)nc(NC(=O)COc2ccc(Br)cc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc(C)nc6n1.c15ccc(Br)cc1.C3(=O)C4.N36.O45 |
16482 | COc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c14ccc(S6(=O)=O)cc1.N16CCC7CC1.C37=O.C5(C)C.CO4.N35 |
16483 | O=C(NCc1ccncc1)C1CCN(C(=O)Cc2ccccc2)CC1 | [O][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | C16CCN4CC1.c17ccncc1.c18ccccc1.C4(=O)C8.O=C36.N35.C57 |
16484 | COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c15ccc(S6(=O)=O)cc1.N16CCC8CC1.C48=O.C17CC1.CO5.N47 |
16486 | NC(=O)C1CCN(C(=O)CCSc2ccccc2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P] | C15CCN3CC1.c16ccccc1.C3(=O)CC4.NC5=O.S46 |
16487 | CC(C)(C)C(=O)Nc1ccccc1C(=O)N1CCCC1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | c14ccccc15.CC(C)(C)C2=O.N13CCCC1.C35=O.N24 |
16488 | Cc1cccc(NC(=O)c2ccccc2NC(=O)C(C)(C)C)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][Ring2][Ring1][=Branch1] | Cc1cccc5n1.c17ccccc16.C4(=O)C(C)(C)C.C37=O.N35.N46 |
16489 | Cc1nc(NCc2ccccn2)c2c3c(sc2n1)CCCC3 | [C][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][P][C][C][C][C][Ring1][=Branch2] | Cc1nc5c2c3c(sc2n1)CCCC3.c16ccccn1.N45.C46 |
16491 | O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)OCCO2 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | N14CCC2(CC1)OCCO2.c15cccc(Cl)c1.O=C34.N35 |
16493 | COc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][S][O][C] | c13ccc(S(=O)(=O)n2nc(C)cc2C)cc14.CO3.O4C |
16494 | CCOc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c18nc(C)cc(C)n1.c15ccc7cc1.C3(=O)C6.CC4.O45.N37.S68 |
16499 | CNc1ccc(-c2nn(-c3ccccc3)c(N)c2C#N)cc1 | [C][N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=C][Ring1][N][C][#N][C][=C][Ring2][Ring1][Ring2] | c16nn5c(N)c1C#N.c14ccc6cc1.c15ccccc1.CN4 |
16500 | Cc1c(C(=O)N2CCCC2)sc2nc(-c3ccccc3)cn12 | [C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][Branch1][Ring1][O] | Cc1c5sc2nc6cn12.c16ccccc1.N14CCCC1.C45=O |
16501 | Cc1c(C(=O)N2CCOCC2)sc2nc(-c3ccccc3)cn12 | [C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][O] | Cc1c5sc2nc6cn12.N14CCOCC1.c16ccccc1.C45=O |
16502 | Fc1nc(F)c(F)c(C#Cc2ccccc2)c1F | [F][C][=N][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][F] | Fc1nc(F)c(F)c(C#Cc2ccccc2)c1F |
16503 | CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1cccc(Cl)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Ring1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | C3(=O)C1=C(N)Oc2cc(O)ccc2C1c1cccc(Cl)c1.CC4.O34 |
16504 | Cc1c(C(N)=O)sc2nc(-c3ccccc3)cn12 | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][P][Ring1][O] | Cc1c4sc2nc5cn12.c15ccccc1.C4(N)=O |
16505 | CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(C)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Ring1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | C3(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(C)cc1.CC4.O34 |
16506 | CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1cccnc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Ring1][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | C3(=O)C1=C(N)Oc2cc(O)ccc2C1c1cccnc1.CC4.O34 |
16507 | Cc1c(C(=O)N2CCCC2)sc2nc(-c3ccc(F)cc3)cn12 | [C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][N] | Cc1c5sc2nc6cn12.c16ccc(F)cc1.N14CCCC1.C45=O |
16508 | CCOC(=O)c1nc(-c2ccccc2)oc1N1CCOCC1 | [C][C][O][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | c16nc7oc15.c17ccccc1.N15CCOCC1.C36=O.CC4.O34 |
16510 | O=C(c1ccccc1)c1ccccc1C(=O)N1CCCCC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c14ccccc15.c13ccccc1.N12CCCCC1.O=C34.C25=O |
16512 | O=C(NCCc1ccccn1)Nc1ccc(Cl)c(Cl)c1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.c16ccccn1.O=C23.C4C6.N24.N35 |
16513 | O=C(NCCc1ccccn1)Nc1cccc(Cl)c1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c15cccc(Cl)c1.c16ccccn1.O=C23.C4C6.N24.N35 |
16515 | Cc1cccc(NC(=O)NCCc2ccccn2)c1 | [C][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1cccc6c1.c17ccccn1.C34=O.C5C7.N36.N45 |
16516 | Cc1ccc(NC(=O)NCCc2ccccn2)cc1 | [C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc6cc1.c17ccccn1.C34=O.C5C7.N36.N45 |
16517 | O=C(NCCc1ccccn1)Nc1cccc2ccccc12 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c16cccc2ccccc12.c17ccccn1.O=C34.C5C7.N35.N46 |
16519 | Cc1c(Cl)cccc1N1CC(c2nc3ccccc3n2C)CC1=O | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][Ring1][#C][=O] | c15nc2ccccc2n1C.Cc1c4cccc1Cl.N14CC5CC1=O |
16521 | CCc1ccc(N2CC(c3nc4ccccc4[nH]3)CC2=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | c17nc2ccccc2[nH]1.c15ccc6cc1.N16CC7CC1=O.CC5 |
16522 | Cc1ccc(N2CC(c3nc4ccccc4[nH]3)CC2=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1][C] | c16nc2ccccc2[nH]1.Cc1ccc5cc1C.N15CC6CC1=O |
16523 | Cc1ccc(N2CC(c3nc4ccccc4n3C)CC2=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1][C] | c16nc2ccccc2n1C.Cc1ccc5cc1C.N15CC6CC1=O |
16524 | Cc1ccc(C)c(N2CC(c3nc4ccccc4n3C)CC2=O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][Ring1][#C][=O][=C][Ring2][Ring1][#Branch1] | c16nc2ccccc2n1C.Cc1ccc(C)c5c1.N15CC6CC1=O |
16525 | Cc1cccc(N2CC(c3nc4ccccc4[nH]3)CC2=O)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][=C][=O][=C][Ring2][Ring1][Branch1][C] | c16nc2ccccc2[nH]1.Cc1cccc5c1C.N15CC6CC1=O |
16526 | Cc1cccc(N2CC(c3nc4ccccc4n3C)CC2=O)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][Ring1][#C][=O][=C][Ring2][Ring1][=Branch1][C] | c16nc2ccccc2n1C.Cc1cccc5c1C.N15CC6CC1=O |
16527 | CCn1c(C2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][=C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | n14c6nc2ccccc21.c15cccc(C)c1C.C16CC(=O)N5C1.CC4 |
16528 | Cc1cc(C)c(N2CC(c3nc4ccccc4[nH]3)CC2=O)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][=C][=O][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | Cc1cc(C)c5c(C)c1.c16nc2ccccc2[nH]1.N15CC6CC1=O |
16529 | Cn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 | [C][N][C][Branch2][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | Cn1c6nc2ccccc21.C16CC(=O)N4C1.c15ccccc1.C45 |
16530 | Cc1ccc(N2CC(c3nc4ccccc4n3C)CC2=O)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1][Cl] | c16nc2ccccc2n1C.Cc1ccc5cc1Cl.N15CC6CC1=O |
16531 | COc1ccc(Cl)cc1N1CC(c2nc3ccccc3[nH]2)CC1=O | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][=C][=O] | c16nc2ccccc2[nH]1.c14ccc(Cl)cc15.N15CC6CC1=O.CO4 |
16532 | CC1CN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][NH1][Ring1][#C][C][C][Branch1][C][C][O][Ring2][Ring1][=Branch1] | c14cc(=O)n5c(=O)[nH]1.CC1CN4CC(C)O1.c15ccccc1Cl |
16533 | O=C(c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | N13CCN4CC1.c15ccccc1.c16ccccc1.S4(=O)(=O)C6.O=C35 |
16534 | O=C(c1ccncc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | N13CCN4CC1.c15ccncc1.c16ccccc1.S4(=O)(=O)C6.O=C35 |
16536 | CCS(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1 | [C][C][S][=Branch1][C][=O][=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] | N14CCN3CC1.c15ccccc1F.CCS4(=O)=O.C35=O |
16537 | CCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | N14CCN3CC1.c15ccc(Cl)cc1.CCS4(=O)=O.C35=O |
16538 | O=c1cc(N2CCc3ccccc32)[nH]c(=O)n1-c1ccccc1Cl | [O][=C][C][=C][Branch1][=C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][NH1][C][=Branch1][C][=O][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | O=c1cc4[nH]c(=O)n15.N14CCc2ccccc21.c15ccccc1Cl |
16539 | CCS(=O)(=O)N1CCN(C(=O)COc2ccccc2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | N16CCN3CC1.c15ccccc1.CCS6(=O)=O.C3(=O)C4.O45 |
16540 | CCS(=O)(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][P] | N16CCN3CC1.c15ccc(C)cc1.CCS6(=O)=O.C3(=O)C4.O45 |
16541 | O=c1cc(N2CCCCCC2)[nH]c(=O)n1-c1ccc(Cl)cc1 | [O][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][NH1][C][=Branch1][C][=O][N][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=c1cc3[nH]c(=O)n14.N13CCCCCC1.c14ccc(Cl)cc1 |
16542 | O=c1cc(N2CCCC2)[nH]c(=O)n1-c1ccc(Cl)cc1 | [O][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][NH1][C][=Branch1][C][=O][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=c1cc3[nH]c(=O)n14.c14ccc(Cl)cc1.N13CCCC1 |
16543 | CCS(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][P] | N16CCN3CC1.c15ccc(Cl)cc1.CCS6(=O)=O.C3(=O)C4.O45 |
16544 | CCS(=O)(=O)N1CCN(C(=O)c2cccs2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | N14CCN3CC1.CCS4(=O)=O.c15cccs1.C35=O |
16545 | O=c1cc(N2CCOCC2)[nH]c(=O)n1-c1ccc(Cl)cc1 | [O][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][NH1][C][=Branch1][C][=O][N][Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=c1cc3[nH]c(=O)n14.c14ccc(Cl)cc1.N13CCOCC1 |
16546 | CCS(=O)(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C] | c16cccc2ccccc12.N15CCN4CC1.CCS5(=O)=O.C46=O |
16547 | CCS(=O)(=O)N1CCN(C(=O)c2ccccc2OC)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][S] | N15CCN3CC1.c16ccccc14.CCS5(=O)=O.C36=O.O4C |
16548 | O=c1cc(NCc2ccco2)[nH]c(=O)n1-c1ccc(Cl)cc1 | [O][=C][C][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][NH1][C][=Branch1][C][=O][N][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=c1cc4[nH]c(=O)n16.c16ccc(Cl)cc1.c15ccco1.N34.C35 |
16549 | O=c1cc(N2CCc3ccccc32)[nH]c(=O)n1-c1ccc(Cl)cc1 | [O][=C][C][=C][Branch1][=C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][NH1][C][=Branch1][C][=O][N][Ring1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=c1cc4[nH]c(=O)n15.N14CCc2ccccc21.c15ccc(Cl)cc1 |
16550 | COc1ccc(-n2c(=O)cc(N3CCCCCC3)[nH]c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][NH1][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | n16c(=O)cc5[nH]c1=O.c14ccc6cc1.N15CCCCCC1.CO4 |
16552 | Cc1ccccc1-n1c(=O)cc(N2CC(C)OC(C)C2)[nH]c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][#C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][NH1][C][Ring1][#C][=O] | n14c(=O)cc3[nH]c1=O.N13CC(C)OC(C)C1.Cc1ccccc14 |
16553 | Cc1ccccc1-n1c(=O)cc(N2CCc3ccccc3C2)[nH]c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][NH1][C][Ring1][P][=O] | N14CCc2ccccc2C1.n15c(=O)cc4[nH]c1=O.Cc1ccccc15 |
16554 | Cc1ccccc1-n1c(=O)cc(N2CCc3ccccc32)[nH]c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][NH1][C][Ring1][S][=O] | n15c(=O)cc4[nH]c1=O.N14CCc2ccccc21.Cc1ccccc15 |
16555 | Cc1ccc(-n2c(=O)cc(N3CCc4ccccc43)[nH]c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][NH1][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch1] | n16c(=O)cc5[nH]c1=O.N15CCc2ccccc21.Cc1ccc6cc1 |
16556 | Cc1ccc(Cn2nnc3c(=O)n(CC(N)=O)cnc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][N][=N][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=N][C][=Ring1][O][Ring1][=C][C][=C][Ring2][Ring1][Branch1] | n14nnc2c(=O)n5cnc21.Cc1ccc6cc1.C5C(N)=O.C46 |
16557 | NC(=O)Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O | [N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch2][Ring1][C][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][P][=O] | n13cnc2c(nnn24)c1=O.c15ccc(F)cc1.NC(=O)C3.C45 |
16558 | COC(=O)Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O | [C][O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch2][Ring1][C][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][P][=O] | n14cnc2c(nnn25)c1=O.c16ccc(F)cc1.C3(=O)C4.CO3.C56 |
16559 | CCOC(=O)C(C)n1cnc2c(nnn2Cc2ccc(F)cc2)c1=O | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][=C][Branch2][Ring1][C][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][P][=O] | n15cnc2c(nnn26)c1=O.c17ccc(F)cc1.C3(=O)C5C.CC4.O34.C67 |
16560 | COC(=O)C(C)n1cnc2c(nnn2Cc2ccc(F)cc2)c1=O | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][=C][Branch2][Ring1][C][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][P][=O] | n14cnc2c(nnn25)c1=O.c16ccc(F)cc1.C3(=O)C4C.CO3.C56 |
16561 | COc1ccc(-n2nnc3c(=O)n(CC(N)=O)cnc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][N][=N][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=N][C][=Ring1][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | n16nnc2c(=O)n5cnc21.c14ccc6cc1.C5C(N)=O.CO4 |
16562 | COC(=O)Cn1cnc2c(nnn2-c2ccc(OC)cc2)c1=O | [C][O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch2][Ring1][C][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][P][=O] | n15cnc2c(nnn26)c1=O.c16ccc4cc1.C3(=O)C5.CO3.O4C |
16563 | CCOC(=O)Cn1cnc2c(nnn2-c2ccc(OC)cc2)c1=O | [C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch2][Ring1][C][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][P][=O] | n16cnc2c(nnn27)c1=O.c17ccc5cc1.C3(=O)C6.CC4.O34.O5C |
16564 | CCOC(=O)C(C)n1cnc2c(nnn2-c2ccc(OC)cc2)c1=O | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][=C][Branch2][Ring1][C][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][P][=O] | n16cnc2c(nnn27)c1=O.c17ccc5cc1.C3(=O)C6C.CC4.O34.O5C |
16565 | Nc1nnnn1CC(=O)NC(c1ccccc1)c1ccccc1 | [N][C][=N][N][=N][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1nnnn14.c15ccccc1.c16ccccc1.C4C2=O.C356.N23 |
16566 | CCC(C(=O)OC)n1cnc2c(nnn2-c2ccc(OC)cc2)c1=O | [C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][C][=N][C][=C][Branch2][Ring1][C][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][P][=O] | n15cnc2c(nnn26)c1=O.c16ccc4cc1.CCC5C3=O.O3C.O4C |
16567 | COC(=O)C(C)n1cnc2c(nnn2-c2ccc(OC)cc2)c1=O | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][=C][Branch2][Ring1][C][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][P][=O] | n15cnc2c(nnn26)c1=O.c16ccc4cc1.C3(=O)C5C.CO3.O4C |
16568 | Cc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=C][Ring1][N][=C][Ring2][Ring1][=Branch1] | S4(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.Cc1cccc5c1.N45 |
16569 | COc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=C][Ring1][N][=C][Ring2][Ring1][=Branch1] | S5(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.c14cccc6c1.CO4.N56 |
16570 | O=c1[nH]c2ccc(S(=O)(=O)NCc3ccccc3)cc2[nH]c1=O | [O][=C][NH1][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][NH1][C][Ring2][Ring1][Branch1][=O] | O=c1[nH]c2ccc(S5(=O)=O)cc2[nH]c1=O.c16ccccc1.N45.C46 |
16571 | Cc1cc(NC(=O)c2ocnc2C)ccc1Br | [C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][O][C][=N][C][=Ring1][Branch1][C][=C][C][=C][Ring1][#C][Br] | Cc1cc4ccc1Br.c15ocnc1C.C35=O.N34 |
16572 | Cc1nc(C)c(C(=O)Nc2ccccc2Cl)o1 | [C][C][=N][C][Branch1][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][S] | Cc1nc(C)c5o1.c14ccccc1Cl.C35=O.N34 |
16573 | Cc1nc(C)c(C(=O)Nc2ccc(C)c(Cl)c2)o1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][Ring1][P] | c14ccc(C)c(Cl)c1.Cc1nc(C)c5o1.C35=O.N34 |
16575 | Cc1nc(C)c(C(=O)Nc2ccc(Br)c(C)c2)o1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][Branch2][O][Ring1][P] | c14ccc(Br)c(C)c1.Cc1nc(C)c5o1.C35=O.N34 |
16576 | CCC(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 | [C][C][C][=Branch1][C][=O][N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c15c7oc2ccccc12.c16ccccc1F.CCC3=O.C47=O.N35.N46 |
16577 | COCC(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 | [C][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c16c8oc2ccccc12.c17ccccc1F.C5C3=O.C48=O.CO5.N36.N47 |
16578 | CC(=O)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12 | [C][C][=Branch1][C][=O][N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c15c7oc2ccccc12.c16cccc(F)c1.CC3=O.C47=O.N35.N46 |
16579 | COCC(=O)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12 | [C][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c16c8oc2ccccc12.c17cccc(F)c1.C5C3=O.C48=O.CO5.N36.N47 |
16580 | COC(=O)c1ccccc1NC(=O)Cn1cnc2cc(C)c(C)cc21 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][O] | n17cnc2cc(C)c(C)cc21.c16ccccc15.C4(=O)C7.C36=O.CO3.N45 |
16581 | CCOC(=O)c1oc2ccccc2c1NC(=O)C(C)C | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | c17oc2ccccc2c16.C4(=O)C(C)C.C37=O.CC5.O35.N46 |
16582 | CCOC(=O)c1oc2ccccc2c1NC(=O)C1CC1 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1] | c17oc2ccccc2c16.C37=O.C48=O.C18CC1.CC5.O35.N46 |
16583 | CCOC(=O)c1oc2ccccc2c1NC(=O)COC | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][C][O][C] | c18oc2ccccc2c17.C4(=O)C6.C38=O.CC5.O35.N47.O6C |
16584 | O=C(Nc1nncs1)Nc1cccc2ccccc12 | [O][=C][Branch1][=Branch2][N][C][=N][N][=C][S][Ring1][Branch1][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c16cccc2ccccc12.c15nncs1.O=C34.N35.N46 |
16585 | CC(=O)Nc1sc2c(c1C(N)=O)CCC(C(C)(C)C)C2 | [C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C] | c14sc2c(c15)CCC6C2.C6(C)(C)C.CC3=O.C5(N)=O.N34 |
16586 | CCc1cc(=O)oc2c(C)c(OCC(N)=O)ccc12 | [C][C][C][=C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][C][=C][Ring1][P][Ring1][N] | c15cc(=O)oc2c(C)c4ccc12.C3C(N)=O.CC5.O34 |
16587 | COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=C][Ring2][Ring1][Ring1] | c13ccc(S5(=O)=O)cc1.c16cc(Cl)ccc14.CO3.N56.O4C |
16588 | CCOC(=O)c1oc2ccccc2c1NC(=O)COc1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c19oc2ccccc2c18.c17ccccc1.C4(=O)C6.C39=O.CC5.O35.N48.O67 |
16589 | CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccs1 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c17oc2ccccc2c16.c18cccs1.C37=O.C48=O.CC5.O35.N46 |
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