ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
24479 | Cc1nnc(SCC(=O)c2ccc(Cl)c(Cl)c2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][S][Ring1][P] | c14ccc(Cl)c(Cl)c1.Cc1nnc5s1.C3C4=O.S35 |
24480 | CC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | S3(=O)(=O)c1cc(C)ccc1C.c15cccc4c1.CC5=O.N34 |
24482 | Cc1nc(CSc2ncnc3sc4c(c23)CCC4)cs1 | [C][C][=N][C][Branch2][Ring1][#Branch1][C][S][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][S][Ring2][Ring1][Ring1] | c17ncnc2sc3c(c12)CCC3.Cc1nc6cs1.C56.S57 |
24483 | NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 | [N][C][=Branch1][C][=O][C][S][C][=N][C][NH1][N][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nc2[nH]ncc2c(=O)n14.c14ccccc1.NC(=O)C3.S35 |
24484 | Cc1csc2nc(=O)c3c4c(sc3n12)CCCC4 | [C][C][=C][S][C][=N][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch2][S][C][=Ring1][Branch1][N][Ring1][=N][Ring1][#Branch2][C][C][C][C][Ring1][=Branch2] | Cc1csc2nc(=O)c3c4c(sc3n12)CCCC4 |
24485 | COc1cccc(S(=O)(=O)NCC(=O)N2CCCCCC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c14cccc(S6(=O)=O)c1.N13CCCCCC1.C5C3=O.CO4.N56 |
24486 | COc1cccc(S(=O)(=O)NCC(=O)N2CCCCC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c14cccc(S6(=O)=O)c1.N13CCCCC1.C5C3=O.CO4.N56 |
24487 | COc1cccc(S(=O)(=O)NCC(=O)N2CC(C)CC(C)C2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][=C][Ring2][Ring1][Branch1] | c14cccc(S6(=O)=O)c1.N13CC(C)CC(C)C1.C5C3=O.CO4.N56 |
24488 | COc1cccc(S(=O)(=O)NCC(=O)N2CCCCC2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c14cccc(S6(=O)=O)c1.N13CCCCC1C.C5C3=O.CO4.N56 |
24489 | Cc1ccc(C)c(S(=O)(=O)NC(C)C(=O)NCc2ccco2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][=Branch1] | Cc1ccc(C)c(S6(=O)=O)c1.C4(C)C3=O.c17ccco1.N46.N35.C57 |
24490 | CN(Cc1ccccc1)C(=O)c1cc2c(=O)n3ccccc3nc2n1C | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][O][N][Ring1][=C][C] | c16cc2c(=O)n3ccccc3nc2n1C.c17ccccc1.CN45.C46=O.C57 |
24491 | Cc1cccn2c(=O)c3cc(C(=O)NCCC(C)C)n(C)c3nc12 | [C][C][=C][C][=C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][N][Branch1][C][C][C][=Ring1][=C][N][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1] | Cc1cccn2c(=O)c3cc6n(C)c3nc12.C5CC(C)C.C46=O.N45 |
24492 | Cc1cccc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3n2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Ring1][#Branch1][=N][C][=Ring1][N][N][Ring1][#C][C][=C][Ring2][Ring1][=Branch2] | c17cc2c(=O)n3cccc(C)c3nc2n1C.Cc1cccc6c1.C57=O.N56 |
24493 | CCN(C(=O)c1cc2c(=O)n3ccccc3nc2n1C)c1ccccc1 | [C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][O][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17cc2c(=O)n3ccccc3nc2n1C.c16ccccc1.N456.C47=O.CC5 |
24494 | CC(C)NC(=O)c1cc2c(=O)n3ccccc3nc2n1C | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][O][N][Ring1][=C][C] | c16cc2c(=O)n3ccccc3nc2n1C.CC5C.C46=O.N45 |
24495 | Cc1cccn2c(=O)c3cc(C(=O)NCC(C)C)n(C)c3nc12 | [C][C][=C][C][=C][N][C][=Branch1][C][=O][C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][N][Branch1][C][C][C][=Ring1][=N][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C] | Cc1cccn2c(=O)c3cc6n(C)c3nc12.C5C(C)C.C46=O.N45 |
24496 | CC(C)CNC(=O)c1cc2c(=O)n3ccccc3nc2n1C | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][O][N][Ring1][=C][C] | c16cc2c(=O)n3ccccc3nc2n1C.CC(C)C5.C46=O.N45 |
24497 | Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)n(C)c3nc12 | [C][C][=C][C][=C][N][C][=Branch1][C][=O][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Ring1][S][N][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][Branch1] | Cc1cccn2c(=O)c3cc7n(C)c3nc12.c18ccccc1.C57=O.N56.C68 |
24498 | Cn1c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc21 | [C][N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][O][Ring2][Ring1][Branch2] | Cn1c6cc2c(=O)n3ccccc3nc21.c17ccccc1.C46=O.N45.C57 |
24499 | Cc1cccn2c(=O)c3cc(C(=O)NCc4ccco4)n(C)c3nc12 | [C][C][=C][C][=C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][N][Branch1][C][C][C][=Ring1][#C][N][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2] | Cc1cccn2c(=O)c3cc7n(C)c3nc12.c18ccco1.C57=O.N56.C68 |
24500 | Cn1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc21 | [C][N][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][O][Ring2][Ring1][#Branch1] | Cn1c6cc2c(=O)n3ccccc3nc21.c17ccco1.C46=O.N45.C57 |
24501 | Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)n(C)c3nc12 | [C][C][=C][C][=C][N][C][=Branch1][C][=O][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Ring1][S][N][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][Branch1] | Cc1cccn2c(=O)c3cc7n(C)c3nc12.c18cccnc1.C57=O.N56.C68 |
24502 | CC1CN(C(=O)c2cc3c(=O)n4ccccc4nc3n2C)CC(C)O1 | [C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][O][N][Ring1][=C][C][C][C][Branch1][C][C][O][Ring2][Ring1][Branch2] | c16cc2c(=O)n3ccccc3nc2n1C.CC1CN5CC(C)O1.C56=O |
24503 | Cc1cccn2c(=O)c3cc(C(=O)NC4CCCCC4)n(C)c3nc12 | [C][C][=C][C][=C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][Branch1][C][C][C][=Ring1][#C][N][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2] | Cc1cccn2c(=O)c3cc7n(C)c3nc12.C16CCCCC1.C57=O.N56 |
24504 | Cc1cccn2c(=O)c3cc(C(=O)Nc4ccccc4)n(C)c3nc12 | [C][C][=C][C][=C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Ring1][#C][N][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2] | Cc1cccn2c(=O)c3cc7n(C)c3nc12.c16ccccc1.C57=O.N56 |
24505 | Cc1ccccc1NC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Ring1][#Branch1][=N][C][=Ring1][N][N][Ring1][#C][C] | c16cc2c(=O)n3cccc(C)c3nc2n1C.Cc1ccccc15.C46=O.N45 |
24506 | CC(=O)Nc1nc(-c2ccc(Cl)cc2)ns1 | [C][C][=Branch1][C][=O][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][S][Ring1][N] | c15ccc(Cl)cc1.c14nc5ns1.CC3=O.N34 |
24508 | CC(=O)Nc1ccc(-c2cn3ccc4ccccc4c3n2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c17cn2ccc3ccccc3c2n1.c16ccc7cc1.CC5=O.N56 |
24509 | CC(=O)Nc1ccc2nc(-c3ccccc3)cn2c1 | [C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][O][C][=Ring1][#C] | c15ccc2nc6cn2c1.c16ccccc1.CC4=O.N45 |
24516 | CN(C)C(=O)OCc1cccc(OCc2ccccn2)c1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=C] | c19cccc7c1.c18ccccn1.CN4C.C34=O.O35.C59.O67.C68 |
24517 | Oc1ccc(-c2cn3cc(C(F)(F)F)ccc3n2)cc1 | [O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][#Branch2][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c15cn2cc4ccc2n1.Oc1ccc5cc1.C4(F)(F)F |
24519 | COc1cc(NS(C)(=O)=O)ccc1NC(C)=O | [C][O][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][O][N][C][Branch1][C][C][=O] | c13cc5ccc16.S4(C)(=O)=O.C2(C)=O.CO3.N45.N26 |
24521 | COC(=O)c1ccc(-c2cn3c(n2)CCCC3)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C] | c16cn2c(n1)CCCC2.c15ccc6cc1.C45=O.CO4 |
24522 | CN(C)C(=O)Oc1cccn2cc(-c3ccccc3)nc12 | [C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#C][Ring1][O] | c16cccn2cc7nc12.c17ccccc1.CN5C.C45=O.O46 |
24523 | OC(Cc1cccnc1)(Cc1cccnc1)c1cc2ccccc2[nH]1 | [O][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c13cc2ccccc2[nH]1.OC3(C4)C5.c14cccnc1.c15cccnc1 |
24524 | CCOC(=O)C=C1CCN(C(=O)c2ccccc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C] | C1=7CCN4CC1.c16ccccc1.C3(=O)C=7.C46=O.CC5.O35 |
24525 | CC(=O)Nc1ccc(-n2cnc3ccccc32)nc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][=C][Ring1][#C] | n16cnc2ccccc21.c15ccc6nc1.CC4=O.N45 |
24526 | COC(=O)c1ccc2nc(-c3ccc(NC(C)=O)cc3)cn2c1 | [C][O][C][=Branch1][C][=O][C][C][=C][C][=N][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=C][N][Ring1][#C][C][=Ring2][Ring1][Ring1] | c17ccc2nc8cn2c1.c18ccc6cc1.C47=O.C5(C)=O.CO4.N56 |
24527 | CC(=O)Nc1ccc(-c2cn3cc(C)ccc3n2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=C][N][C][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][=C][Ring1][S] | c16cn2cc(C)ccc2n1.c15ccc6cc1.CC4=O.N45 |
24529 | CC(=O)Nc1ccc2nc(-c3ccc(Br)cc3)cn2c1 | [C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][N][Ring1][N][C][=Ring1][S] | c15ccc2nc6cn2c1.c16ccc(Br)cc1.CC4=O.N45 |
24530 | CC(C)C(=O)COc1cccn2cc(C(C)C)nc12 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][Ring1][N][Ring1][Branch2] | c14cccn2cc5nc12.CC(C)C(=O)C3.C5(C)C.O34 |
24532 | Brc1ccc(-c2cn3ccncc3n2)cc1 | [Br][C][=C][C][=C][Branch1][=C][C][=C][N][C][=C][N][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][Ring1][#C] | c14cn2ccncc2n1.Brc1ccc4cc1 |
24533 | COCn1c(C(O)c2ccccc2)cc2ccccc21 | [C][O][C][N][C][Branch1][=N][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n13c4cc2ccccc21.c15ccccc1.COC3.C45O |
24534 | COCn1c(C(=O)c2ccccn2)cc2ccccc21 | [C][O][C][N][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n15c3cc2ccccc21.c14ccccn1.COC5.C34=O |
24535 | COc1ccc2ccn(S(=O)(=O)c3ccccc3)c2c1 | [C][O][C][=C][C][=C][C][=C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=C][Ring2][Ring1][C] | c14ccc2ccn(S(=O)(=O)c3ccccc3)c2c1.CO4 |
24537 | COc1ccc(-c2ncc(C#N)nc2C(C)C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][=C][Branch1][Ring1][C][#N][N][=C][Ring1][Branch2][C][Branch1][C][C][C][C][=C][Ring1][P][O][C] | c16ncc(C#N)nc15.c13ccc6cc14.C5(C)C.CO3.O4C |
24538 | COc1ccc(-c2nc(C#N)c(C#N)nc2C(C)C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][Ring1][C][#N][N][=C][Ring1][#Branch2][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1][O][C] | c16nc(C#N)c(C#N)nc15.c13ccc6cc14.C5(C)C.CO3.O4C |
24539 | CCC(CC)c1nc(C#N)c(C#N)nc1-c1ccc(OC)c(OC)c1 | [C][C][C][Branch1][Ring1][C][C][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][Ring1][C][#N][N][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c14nc(C#N)c(C#N)nc15.c15ccc2c3c1.CCC4CC.O2C.O3C |
24540 | COC(=O)c1nc(-c2ccc(OC)c(OC)c2)cnc1C#N | [C][O][C][=Branch1][C][=O][C][=N][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][N][=C][Ring1][S][C][#N] | c16nc7cnc1C#N.c17ccc4c5c1.C36=O.CO3.O4C.O5C |
24541 | CCOC(=O)c1ncc(-c2ccc(OC)c(OC)c2)nc1C#N | [C][C][O][C][=Branch1][C][=O][C][=N][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][N][=C][Ring1][S][C][#N] | c17ncc8nc1C#N.c18ccc5c6c1.C37=O.CC4.O34.O5C.O6C |
24543 | COC(=O)c1ncc(-c2ccccc2)nc1C(=O)OC | [C][O][C][=Branch1][C][=O][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][=Branch1][C][=O][O][C] | c15ncc7nc16.c17ccccc1.C35=O.C46=O.CO3.O4C |
24544 | CCN(CC)S(=O)(=O)c1cc(C)ccc1SC | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][S][C] | S4(=O)(=O)c1cc(C)ccc15.N234.CC2.C3C.S5C |
24545 | CNc1nnc(-c2cc3cccc(OC)c3oc2=O)s1 | [C][N][C][=N][N][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][Ring1][N][=O][S][Ring2][Ring1][C] | c16cc2cccc4c2oc1=O.c15nnc6s1.CN5.O4C |
24546 | Nc1cccc(-c2nn(-c3ccccc3)nc2-c2cccc(N)c2)c1 | [N][C][=C][C][=C][C][Branch2][Ring1][=N][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch2] | Nc1cccc5c1.c15nn4nc16.c16cccc(N)c1.c14ccccc1 |
24547 | Cc1c(C(=O)NCc2ccncc2)oc2ccc(Cl)cc12 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1] | Cc1c5oc2ccc(Cl)cc12.c16ccncc1.C35=O.N34.C46 |
24548 | Cc1ccc2c(C)c(C(=O)Nc3cccnc3)oc2c1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | Cc1ccc2c(C)c6oc2c1.c15cccnc1.C46=O.N45 |
24549 | Cc1cc(C)c2c(C)c(C(=O)Nc3cccnc3)oc2c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][Ring1][#C][=C][Ring2][Ring1][Ring2] | Cc1cc(C)c2c(C)c6oc2c1.c15cccnc1.C46=O.N45 |
24550 | Cc1cc(C)c2c(C)c(C(=O)NCc3ccncc3)oc2c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][Ring1][S][=C][Ring2][Ring1][Branch1] | Cc1cc(C)c2c(C)c6oc2c1.c17ccncc1.C46=O.N45.C57 |
24551 | Cc1ccc2c(C)c(C(=O)Nc3cccnc3)oc2c1C | [C][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1][C] | Cc1ccc2c(C)c6oc2c1C.c15cccnc1.C46=O.N45 |
24552 | COc1ccc(NC(=O)c2oc3ccc(F)cc3c2C)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c18oc2ccc(F)cc2c1C.c15ccc7c6c1.C48=O.CO5.N47.O6C |
24553 | Cc1cc2oc(C(=O)NCc3ccncc3)c(C)c2cc1Cl | [C][C][=C][C][O][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][C][C][C][=Ring1][S][C][=C][Ring2][Ring1][Ring2][Cl] | Cc1cc2oc6c(C)c2cc1Cl.c17ccncc1.C46=O.N45.C57 |
24554 | CCOc1ccc(NC(=O)c2oc3ccc(F)cc3c2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][C][=C][Ring2][Ring1][Ring2] | c18oc2ccc(F)cc2c1C.c16ccc7cc1.C48=O.CC5.O56.N47 |
24555 | CCc1ccc2oc(C(=O)NCc3ccncc3)c(C)c2c1 | [C][C][C][=C][C][=C][O][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][C][C][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c17ccc2oc6c(C)c2c1.c18ccncc1.C46=O.CC7.N45.C58 |
24556 | Cc1c(C(=O)Nc2cccnc2)oc2ccc(Br)cc12 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch1] | Cc1c5oc2ccc(Br)cc12.c14cccnc1.C35=O.N34 |
24557 | Cc1c(C(=O)NCc2ccncc2)oc2ccc(Br)cc12 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1] | Cc1c5oc2ccc(Br)cc12.c16ccncc1.C35=O.N34.C46 |
24558 | Cc1cc(C)n(C(=O)CCC(=O)c2ccccc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][C] | Cc1cc(C)n(C(=O)CCC3=O)n1.c13ccccc1 |
24559 | COc1ccc(C2(O)CN(C(=O)N(C)C)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][O][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][#Branch2][C][=C][Ring1][S] | c15ccc6cc1.C16(O)CN3C1.C34=O.N4(C)C.CO5 |
24560 | Cc1cc(CC(O)(c2ccccc2)c2ccccc2)on1 | [C][C][C][=C][Branch2][Ring1][Branch2][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring2][Ring1][Ring2] | Cc1cc3on1.c14ccccc1.c15ccccc1.C3C45O |
24561 | CCOC(=O)c1n[nH]c2c1C(C)CCC2C(C)C | [C][C][O][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][Branch1][C][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][C] | c15n[nH]c2c1C(C)CCC2C(C)C.C35=O.CC4.O34 |
24562 | Cc1ccc(S(=O)(=O)N2C(=O)C(C)C2c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S(=O)(=O)N2C(=O)C(C)C23)cc1.c13ccccc1 |
24564 | O=C(Nc1cc2c(cc1Br)OCCO2)c1ccncc1 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Br][O][C][C][O][Ring1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14cc2c(cc1Br)OCCO2.c15ccncc1.O=C35.N34 |
24566 | COc1cc(Br)c(NC(=O)c2cccs2)cc1OC | [C][O][C][=C][C][Branch1][C][Br][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C][O][C] | c14cc(Br)c6cc15.c17cccs1.C37=O.CO4.N36.O5C |
24567 | O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccncc1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][O][C][C][C][O][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14cc2c(cc1Cl)OCCCO2.c15ccncc1.O=C35.N34 |
24568 | COc1cc(Cl)c(NC(=O)c2ccco2)cc1OC | [C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C][O][C] | c14cc(Cl)c6cc15.c17ccco1.C37=O.CO4.N36.O5C |
24569 | CCOc1cc(Cl)c(NC(C)=O)cc1OCC | [C][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][O][O][C][C] | c15cc(Cl)c7cc16.C2(C)=O.CC3.O35.N27.O46.C4C |
24570 | COc1cccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][O][C][C][C][O][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | c16cc2c(cc1Cl)OCCCO2.c15cccc7c1.C47=O.CO5.N46 |
24571 | COc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][O][C][C][C][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | c16cc2c(cc1Cl)OCCCO2.c15ccc7cc1.C47=O.CO5.N46 |
24572 | O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccccc1F | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][O][C][C][O][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14cc2c(cc1Cl)OCCO2.c15ccccc1F.O=C35.N34 |
24574 | COc1nc(C)ccc1-c1noc(-c2cccs2)n1 | [C][O][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=N][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2] | c13nc(C)ccc15.c15noc4n1.c14cccs1.CO3 |
24576 | Cc1nc2sc(C)c(-c3ccccc3)c2c(=O)[nH]1 | [C][C][=N][C][S][C][Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][=Branch1][C][=O][NH1][Ring1][P] | Cc1nc2sc(C)c4c2c(=O)[nH]1.c14ccccc1 |
24577 | CCOC(=O)c1sc2nc(-c3ccccn3)[nH]c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][NH1][C][=Branch1][C][=O][C][=Ring1][=N][C][=Ring1][S][C] | c16sc2nc7[nH]c(=O)c2c1C.c17ccccn1.C46=O.CC5.O45 |
24578 | CCOC(=O)c1sc2nc(-c3cccnc3)[nH]c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][NH1][C][=Branch1][C][=O][C][=Ring1][=N][C][=Ring1][S][C] | c16sc2nc7[nH]c(=O)c2c1C.c17cccnc1.C46=O.CC5.O45 |
24579 | CCOC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][C][=Branch1][C][=O][C][=Ring1][=N][C][=Ring1][S][C] | c16sc2nc7[nH]c(=O)c2c1C.c17ccncc1.C46=O.CC5.O45 |
24580 | O=c1[nH]c(-c2ccccn2)nc2sc3c(c12)CCC3 | [O][=C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][#C][=Ring1][Branch1][C][C][C][Ring1][=Branch1] | O=c1[nH]c4nc2sc3c(c12)CCC3.c14ccccn1 |
24581 | CCOC(=O)c1sc2nc(SC)[nH]c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][Branch1][Ring1][S][C][NH1][C][=Branch1][C][=O][C][=Ring1][=Branch2][C][=Ring1][N][C] | c15sc2nc6[nH]c(=O)c2c1C.C35=O.CC4.O34.S6C |
24582 | CCOC(=O)c1sc2nc(SCC)[nH]c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][Branch1][Ring2][S][C][C][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch2][C][=Ring1][=N][C] | c16sc2nc7[nH]c(=O)c2c1C.C36=O.CC4.O34.S57.C5C |
24583 | Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1 | [C][C][=N][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=Branch1][C][=O][NH1][Ring1][P] | Cc1nc2scc4c2c(=O)[nH]1.c14ccc(Cl)cc1 |
24584 | COCc1nc2sc(C)c(-c3ccccc3)c2c(=O)[nH]1 | [C][O][C][C][=N][C][S][C][Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][=Branch1][C][=O][NH1][Ring1][P] | c15nc2sc(C)c6c2c(=O)[nH]1.c16ccccc1.CO4.C45 |
24585 | O=c1[nH]c(N2CCOCC2)nc2scc(-c3ccccc3)c12 | [O][=C][NH1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=Ring1][O] | O=c1[nH]c4nc2scc5c12.N14CCOCC1.c15ccccc1 |
24587 | Nc1cc(Br)ccc1Br | [N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Br] | Nc1cc(Br)ccc1Br |
24588 | Nc1c(Br)cccc1Br | [N][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][Br] | Nc1c(Br)cccc1Br |
24589 | OCC(Cc1cccc(O)c1)C(CO)Cc1cccc(O)c1 | [O][C][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch1][Ring1][C][O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | OCC(C2)C(C3)CO.c12cccc(O)c1.c13cccc(O)c1 |
24590 | O=C(Cc1nc2ccccc2[nH]1)c1cc(Cl)c(O)cc1O | [O][=C][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][=C][Ring1][Branch2][O] | c14nc2ccccc2[nH]1.c13cc(Cl)c(O)cc1O.O=C3C4 |
24591 | COc1ccc2c(c1)C(=O)CC(c1ccc(F)cc1)O2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][#C] | c13ccc2c(c1)C(=O)CC4O2.c14ccc(F)cc1.CO3 |
24593 | Cc1cc(=O)[nH]c2nnc(SCC(=O)c3ccc(F)cc3)n12 | [C][C][=C][C][=Branch1][C][=O][NH1][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring2][Ring1][Branch1][Ring1][S] | Cc1cc(=O)[nH]c2nnc6n12.c15ccc(F)cc1.C4C5=O.S46 |
24594 | Cc1nnc(SCC(=O)N(c2ccccc2)C(C)C)n1N | [C][C][=N][N][=C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][N][Ring2][Ring1][Ring1][N] | Cc1nnc7n1N.c16ccccc1.C5C3=O.N346.C4(C)C.S57 |
24595 | O=c1c2cc(Cl)ccc2ncn1Cc1ccccc1F | [O][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][=C][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=c1c2cc(Cl)ccc2ncn13.c14ccccc1F.C34 |
24596 | O=c1c2ccc(Cl)cc2ncn1Cc1ccccc1F | [O][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=c1c2ccc(Cl)cc2ncn13.c14ccccc1F.C34 |
24597 | N#Cc1ccc(Cn2cnc3ccc(Br)cc3c2=O)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][Ring1] | n14cnc2ccc(Br)cc2c1=O.N#Cc1ccc5cc1.C45 |
24598 | Cc1ccc(C(=O)Nc2nc3nc4ccccc4n3cc2C#N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][Ring1][=N][C][#N][C][=C][Ring2][Ring1][Branch2] | c16nc2nc3ccccc3n2cc1C#N.Cc1ccc7cc1.C57=O.N56 |
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