ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
34691 | Cc1nn2c(-c3ccc(Cl)cc3)nnc2s1 | [C][C][=N][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][N][S][Ring1][#C] | Cc1nn2c4nnc2s1.c14ccc(Cl)cc1 |
34692 | CCn1c(SCC(=O)OC)nnc1-c1ccccn1 | [C][C][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][=N][N][=C][Ring1][O][C][=C][C][=C][C][=N][Ring1][=Branch1] | n14c5nnc16.c16ccccn1.C3C2=O.CC4.S35.O2C |
34693 | O=c1c2c(=O)n3c(nc2oc2ccc4ccccc4c12)SCC3 | [O][=C][C][C][=Branch1][C][=O][N][C][=Branch2][Ring1][#Branch1][=N][C][=Ring1][#Branch1][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][Ring1][#Branch2][S][C][C][Ring2][Ring1][C] | O=c1c2c(=O)n3c(nc2oc2ccc4ccccc4c12)SCC3 |
34694 | COc1cccc(CNc2nc3ccccc3n2C)c1OC | [C][O][C][=C][C][=C][C][Branch1][P][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][Ring2][Ring1][C][O][C] | c17nc2ccccc2n1C.c14cccc8c15.CO4.C68.N67.O5C |
34695 | Cc1ccc(-c2nnc(SCC(=O)OC(C)C)n2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=N][S][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N][Ring1][=N][N][C][=C][Ring2][Ring1][Ring2] | Cc1ccc7cc1.c17nnc6n1N.C5C3=O.C4(C)C.S56.O34 |
34696 | O=c1c(=Cc2ccco2)sc2nc(-c3ccc(F)cc3)nn12 | [O][=C][C][=Branch1][=Branch2][=C][C][=C][C][=C][O][Ring1][Branch1][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][Ring2][Ring1][Branch1][Ring1][N] | O=c1c(=Cc2ccco2)sc2nc4nn12.c14ccc(F)cc1 |
34697 | Cc1sc2nc(SCC(=O)C(C)(C)C)n(C)c(=O)c2c1C | [C][C][S][C][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][S][C][=Ring2][Ring1][Ring1][C] | Cc1sc2nc4n(C)c(=O)c2c1C.C3C(=O)C(C)(C)C.S34 |
34698 | CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccccn1 | [C][C][N][C][Branch1][#C][S][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][N][=C][Ring1][#C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccc(C#N)cc1.n14c6nnc17.c17ccccn1.CC4.S36.C35 |
34699 | CC(C)On1c(SC(C)C)nc2ccccc2c1=O | [C][C][Branch1][C][C][O][N][C][Branch1][#Branch1][S][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=O] | O3n1c5nc2ccccc2c1=O.CC3C.C4(C)C.S45 |
34700 | COc1ccc(OC)c(C2=Nn3c(nnc3-c3ccco3)SC2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][C][=N][N][C][=Branch1][=N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1][S][C][Ring1][=C][=C][Ring2][Ring1][=Branch1] | c14ccc5c(C2=Nn3c6nnc3SC2)c1.c16ccco1.CO4.O5C |
34701 | C=CCn1c(N)c(C(=O)NC(C)CC)c2nc3ccccc3nc21 | [C][=C][C][N][C][Branch1][C][N][=C][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring2][Ring1][Branch1] | n17c(N)c6c2nc3ccccc3nc21.C5(C)CC.C=CC7.C46=O.N45 |
34702 | O=C(c1ccc(F)cc1)N1CCCC(C(=O)N2CCCCC2)C1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=C] | c16ccc(F)cc1.N13CCCC5C1.N14CCCCC1.O=C36.C45=O |
34703 | O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC1CCCCCC1 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1] | N15C(=O)c2ccccc2S1(=O)=O.C14CCCCCC1.O=C3C5.N34 |
34704 | O=S(=O)(NCc1ccccn1)c1cc(Cl)ccc1Cl | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | O=S3(=O)c1cc(Cl)ccc1Cl.c14ccccn1.N23.C24 |
34705 | CC(C)C(CC(=O)N1CCOCC1)c1ccco1 | [C][C][Branch1][C][C][C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] | CC(C)C3CC2=O.N12CCOCC1.c13ccco1 |
34706 | COC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][C][=C][O][Ring1][Branch1] | c17nnc8n15.c18cccnc1.c16ccco1.C3(=O)C4.CO3.S47.C56 |
34707 | Cn1c(SCc2cccc(F)c2)nnc1-c1ccco1 | [C][N][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | Cn1c5nnc16.c14cccc(F)c1.c16ccco1.S35.C34 |
34708 | CC1(C)Cc2c(sc3c2C(=O)NC(c2ccc(O)cc2)N3)CO1 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][N][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][Ring1][=C][C][O][Ring2][Ring1][=Branch1] | CC1(C)Cc2c(sc3c2C(=O)NC4N3)CO1.c14ccc(O)cc1 |
34709 | CC1(C)C(=O)C2(C(=O)Nc3nccs3)CCC1C2 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][C][C][Ring1][S][C][Ring1][=N] | CC1(C)C(=O)C26CCC1C2.c15nccs1.C46=O.N45 |
34710 | Cn1c(SCc2ccc(C#N)cc2)nnc1-c1cnccn1 | [C][N][C][Branch1][#C][S][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][N][=C][Ring1][#C][C][=C][N][=C][C][=N][Ring1][=Branch1] | c14ccc(C#N)cc1.Cn1c5nnc16.c16cnccn1.S35.C34 |
34711 | CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1nonc1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][C][=N][O][N][=C][Ring1][Branch1][C] | c17[nH]c2ccccc2c16.c18nonc1C.C37=O.C48=O.CC5.O35.N46 |
34712 | Cc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c16nn2c5nnc2s1.Cc1ccc6cc1.c15ccccn1 |
34713 | Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][O][N][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc6cc1.c17nnc8n1N.C18CCCCC1.C4(=O)C5.N46.S57 |
34716 | Cc1ccccc1-c1nnc2sc(=Cc3ccco3)c(=O)n12 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][S][C][=Branch1][=Branch2][=C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#C][Ring1][N] | c14nnc2sc(=Cc3ccco3)c(=O)n12.Cc1ccccc14 |
34717 | CCn1c(NCc2ccccc2OC)nc2ccccc21 | [C][C][N][C][Branch1][=N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | n16c5nc2ccccc21.c17ccccc13.CC6.N45.C47.O3C |
34718 | O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cccnc1 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | N15C(=O)c2ccccc2S1(=O)=O.c14cccnc1.O=C3C5.N34 |
34719 | Cc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][=C][Ring2][Ring1][Ring2] | c16nn2c5nnc2s1.Cc1cccc6c1.c15ccccn1 |
34720 | CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CCOCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][=C][Ring1][=N][N][C][C][O][C][C][Ring1][=Branch1] | c16cnc7nc15.n17nc(C)cc1C.N15CCOCC1.C36=O.CC4.O34 |
34721 | COc1ccc(C(C#N)Nc2ccccc2OC)cc1 | [C][O][C][=C][C][=C][Branch1][P][C][Branch1][Ring1][C][#N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][C] | c13ccc7cc1.c16ccccc14.C57C#N.CO3.N56.O4C |
34722 | COc1ccc(C2NC(=O)c3c(sc4c3CC(C)(C)OC4)N2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][S][C][=C][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][Branch2][N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | C16NC(=O)c2c(sc3c2CC(C)(C)OC3)N1.c15ccc6cc1.CO5 |
34723 | CCOC(=O)c1cnc(-n2cc(C)cn2)nc1Nc1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][O][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][N][=C][Ring1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17cnc8nc15.n18cc(C)cn1.c16ccccc1.C37=O.CC4.O34.N56 |
34726 | Cc1ccc(CSc2nnc(-c3cnccn3)n2C)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][C][=C][Ring2][Ring1][Ring2][C] | Cc1ccc5cc1C.c16nnc7n1C.c17cnccn1.C45.S46 |
34727 | Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCC1)n2Cc1ccccc1 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c(=O)[nH]c(=O)c2c1nc3n25.c16ccccc1.C14CCCC1.N34.C56 |
34728 | CCn1c(SCc2c(F)cccc2F)nnc1-c1cnccn1 | [C][C][N][C][Branch1][#C][S][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][N][=C][Ring1][#C][C][=C][N][=C][C][=N][Ring1][=Branch1] | c15c(F)cccc1F.n14c6nnc17.c17cnccn1.CC4.S36.C35 |
34729 | CN1C(=O)NC(c2ccc(O)cc2)C2=C1CN(c1ccccc1)C2=O | [C][N][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O] | CN1C(=O)NC4C2=C1CN3C2=O.c14ccc(O)cc1.c13ccccc1 |
34731 | CCOc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][=C][Ring2][Ring1][Ring2] | c18nn2c7nnc2s1.c16cccc8c1.c17ccccn1.CC5.O56 |
34732 | CCOc1cccc(-c2nnc(SCC(N)=O)n2N)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][N][=C][Ring1][P] | c14cccc7c1.c17nnc6n1N.C5C(N)=O.CC3.O34.S56 |
34733 | Cn1nnc(NC(=O)COc2cccc3ccccc23)n1 | [C][N][N][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | c16cccc2ccccc12.Cn1nnc7n1.C4(=O)C5.N47.O56 |
34734 | Cc1ccccc1-c1nc2sc(=Cc3ccco3)c(=O)n2n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][S][C][=Branch1][=Branch2][=C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][N][N][=Ring1][#C] | c14nc2sc(=Cc3ccco3)c(=O)n2n1.Cc1ccccc14 |
34735 | Cc1cccc(CSc2nnc(-c3cccnc3)n2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][=C][Ring2][Ring1][Ring2] | Cc1cccc5c1.c16nnc7n1C.c17cccnc1.C45.S46 |
34736 | Cc1cc(C)n(-c2ncc3c(n2)N(C)CCOC3=O)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][Branch1][C][C][C][C][O][C][Ring1][=Branch2][=O][N][=Ring2][Ring1][Ring1] | c14ncc2c(n1)N(C)CCOC2=O.Cc1cc(C)n4n1 |
34737 | Cc1ccccc1CSc1nnc(-c2cccnc2)n1N | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][N] | Cc1ccccc14.c15nnc6n1N.c16cccnc1.C34.S35 |
34738 | Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cnccn1 | [C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][=C][N][=C][C][=N][Ring1][=Branch1] | Cn1c5nnc16.c14ccc(Cl)cc1.c16cnccn1.C3C4=O.S35 |
34739 | Cc1ccc(-n2c(C)nc3ccccc3c2=O)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | n14c(C)nc2ccccc2c1=O.Cc1ccc4c(C)c1 |
34740 | Cc1cccc(NC(=O)Cc2coc3ccc4ccccc4c23)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=N][Ring1][#Branch2][=N][Ring2][Ring1][#Branch1] | c17coc2ccc3ccccc3c12.Cc1cccc6n1.C5(=O)C7.N56 |
34741 | CSc1nnc(C(Cc2ccccc2)NC(=O)OC(C)(C)C)o1 | [C][S][C][=N][N][=C][Branch2][Ring1][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][O][Ring2][Ring1][Branch1] | c19nnc7o1.c18ccccc1.C67C8.C5(C)(C)C.C34=O.CS9.N46.O35 |
34742 | C=CCn1c(C2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 | [C][=C][C][N][C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][=C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | n15c7nc2ccccc21.C17CC(=O)N6C1.c16cccc4c1.C=CC5.O4C |
34743 | CCn1c(C2CC(=O)N(c3cccc(C)c3)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][Ring1][=N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | n14c6nc2ccccc21.C16CC(=O)N5C1.c15cccc(C)c1.CC4 |
34744 | COc1cccc(CSc2nnc(-c3ccncc3)n2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c14cccc6c1.c17nnc8n1C.c18ccncc1.CO4.C56.S57 |
34746 | COc1ccccc1C1CC(c2ccccc2)Nc2nc(N)nn21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][C][N][=N][N][Ring1][=Branch1][Ring1][S] | c13ccccc1C1CC4Nc2nc(N)nn21.c14ccccc1.CO3 |
34747 | COc1ccc2c(c1)[nH]c1c(N3CCN(C(N)=O)CC3)ncnc12 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=C][Branch1][S][N][C][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][N][=C][N][=C][Ring1][#C][Ring2][Ring1][Ring1] | c15ccc2c(c1)[nH]c1c6ncnc12.N16CCN4CC1.C4(N)=O.CO5 |
34748 | COc1ccc(CSc2nnc(C3CCCCC3)n2N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][O][N][C][=C][Ring2][Ring1][Ring2] | c14ccc6cc1.c17nnc8n1N.C18CCCCC1.CO4.C56.S57 |
34749 | Nn1c(SCc2ccc(F)cc2)nnc1-c1cccnc1 | [N][N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Nn1c5nnc16.c14ccc(F)cc1.c16cccnc1.S35.C34 |
34750 | CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1N | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][N] | c17nnc8n1N.c18ccccc1.C3(=O)C6.N345.CC4.C5C.S67 |
34751 | O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccncc1 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | N15C(=O)c2ccccc2S1(=O)=O.c16ccncc1.O=C3C5.N34.C46 |
34753 | Cc1ccc(C)c(CSc2nnc(-c3cccnc3)n2N)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][N][=C][Ring2][Ring1][Branch1] | Cc1ccc(C)c5c1.c16nnc7n1N.c17cccnc1.C45.S46 |
34754 | N#Cc1ccc(CSc2nnc(-c3ccccc3)n2N)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][N][C][=C][Ring2][Ring1][Ring2] | N#Cc1ccc5cc1.c16nnc7n1N.c17ccccc1.C45.S46 |
34756 | Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccnc1 | [C][N][C][Branch1][S][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][N][=C][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15nc2ccccc2[nH]1.Cn1c6nnc17.c17cccnc1.S46.C45 |
34757 | CCOC(=O)c1cnn(Cc2ccc(C)cc2)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][=N][N] | c15cnn6c1N.c17ccc(C)cc1.C35=O.CC4.O34.C67 |
34758 | c1ccc(-c2nnc3sc(-c4ccco4)nn23)nc1 | [C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][=C][S][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][=N][Ring1][#Branch2][N][=C][Ring2][Ring1][Ring1] | c15nnc2sc6nn12.c1ccc5nc1.c16ccco1 |
34759 | CN(c1ccccc1)S(=O)(=O)CC12CCC(CC1=O)C2(C)C | [C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][Branch1][=Branch1][C][C][Ring1][=Branch1][=O][C][Ring1][Branch2][Branch1][C][C][C] | C125CCC(CC1=O)C2(C)C.c14ccccc1.S3(=O)(=O)C5.CN34 |
34760 | Cc1ccccc1CSc1nnc(-c2cnccn2)n1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C] | Cc1ccccc14.c15nnc6n1C.c16cnccn1.C34.S35 |
34761 | CC1(C)C(=O)C2(C(=O)Nc3ccc(Cl)cn3)CCC1C2 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][C][C][Ring2][Ring1][C][C][Ring1][#C] | CC1(C)C(=O)C26CCC1C2.c15ccc(Cl)cn1.C46=O.N45 |
34762 | O=C(CN1C(=O)c2cccc3cccc1c23)Nc1cccnc1 | [O][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=C4CN1C(=O)c2cccc3cccc1c23.c15cccnc1.N45 |
34763 | Cc1cc(C)n2nc3nc4c(cc3c2n1)CCCC4 | [C][C][C][=C][Branch1][C][C][N][N][=C][N][=C][C][=Branch1][O][=C][C][Ring1][=Branch1][=C][Ring1][=Branch2][N][=Ring1][=C][C][C][C][C][Ring1][#Branch2] | Cc1cc(C)n2nc3nc4c(cc3c2n1)CCCC4 |
34764 | O=C1NC(c2cccnc2)Nc2sc3c(c21)CCC3 | [O][=C][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][S][C][=C][Branch1][=Branch1][C][=Ring1][Branch1][Ring1][#C][C][C][C][Ring1][=Branch1] | O=C1NC4Nc2sc3c(c21)CCC3.c14cccnc1 |
34765 | O=C(COC(=O)c1cnccn1)c1ccc(Cl)c(Cl)c1 | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.c14cnccn1.O=C5C3.C24=O.O23 |
34766 | COc1cccc(CSc2nnc(C3CCCCC3)n2N)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][O][N][=C][Ring2][Ring1][Ring2] | c14cccc6c1.c17nnc8n1N.C18CCCCC1.CO4.C56.S57 |
34767 | Nc1nc2n(n1)C(c1ccco1)CC(c1ccccc1Cl)N2 | [N][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring2][Ring1][Ring1] | Nc1nc2n(n1)C(c1ccco1)CC3N2.c13ccccc1Cl |
34768 | Cc1cccc(-c2nnc(SCC(N)=O)n2N)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][N][=C][Ring1][P] | Cc1cccc5c1.c15nnc4n1N.C3C(N)=O.S34 |
34770 | Nc1nncn1C(=O)COc1ccc(Br)cc1 | [N][C][=N][N][=C][N][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | Nc1nncn1C(=O)C2.c13ccc(Br)cc1.O23 |
34773 | CCn1c(=O)[nH]c2cc(C(=O)N3CCCC3)ccc2c1=O | [C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=N][C][Ring2][Ring1][C][=O] | n16c(=O)[nH]c2cc5ccc2c1=O.N14CCCC1.C45=O.CC6 |
34774 | Cc1cccc(N2CC(c3nc4ccccc4n3C(C)C)CC2=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=C][N][C][C][Branch2][Ring1][Ring1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][C][C][C][Ring1][P][=O][=C][Ring2][Ring1][Branch2] | c17nc2ccccc2n15.Cc1cccc6c1.N16CC7CC1=O.C5(C)C |
34775 | COc1ccc(OCC(=O)Nc2ncccn2)cc1 | [C][O][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc6cc1.c17ncccn1.C4C3=O.CO5.O46.N37 |
34776 | COc1ccc(C2CC(c3ccccc3)n3nc(N)nc3N2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][C][N][N][=C][Ring1][=Branch1][N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | C15CC(c2ccccc2)n2nc(N)nc2N1.c14ccc5cc1.CO4 |
34779 | CCCN1C(=O)C(NC(C)=O)c2cc(F)ccc21 | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C] | CCCN1C(=O)C(N3)c2cc(F)ccc21.C3(C)=O |
34780 | Clc1ccc(C2CC(c3ccco3)n3ncnc3N2)c(Cl)c1 | [Cl][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][N][=C][N][=C][Ring1][Branch1][N][Ring1][=C][C][Branch1][C][Cl][=C][Ring2][Ring1][Branch1] | C14CC(c2ccco2)n2ncnc2N1.Clc1ccc4c(Cl)c1 |
34781 | Cn1nnc(NC(=O)C(C)(c2ccccc2)c2ccccc2)n1 | [C][N][N][=N][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | Cn1nnc4n1.C3(=O)C56C.c15ccccc1.c16ccccc1.N34 |
34782 | CC(C)OC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][N][N] | c16nnc7n1N.c17ccc(Cl)cc1.C3(=O)C5.CC4C.O34.S56 |
34783 | COc1ccc(C2CC(c3ccc(F)cc3)Nc3ncnn32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=N][C][=N][N][Ring1][Branch1][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c14ccc(C2CC5Nc3ncnn32)cc1.c15ccc(F)cc1.CO4 |
34784 | Cc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Ring1][#Branch2][=O][C][=C][Ring1][P][Cl] | n13c(C)cc(C)c(C#N)c1=O.Cc1ccc3cc1Cl |
34785 | Cc1ccc2c(ccn3cc4c(c(=O)n(C)c(=O)n4C)c23)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=C][C][=C][N][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][Ring1][P][Ring1][=N][=C][Ring2][Ring1][Branch1] | Cc1ccc2c(ccn3cc4c(c(=O)n(C)c(=O)n4C)c23)c1 |
34786 | COc1cc(C(=O)Nc2nnn(C)n2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c14cc8cc5c16.c17nnn(C)n1.C38=O.CO4.N37.O5C.O6C |
34787 | CCn1c(C2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][=C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | n15c7nc2ccccc21.C17CC(=O)N6C1.c16ccccc14.CC5.O4C |
34788 | Clc1ccc(C2=Nn3c(nnc3-c3ccccn3)SC2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][N][C][=Branch1][=C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][S][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | Clc1ccc(C2=Nn3c4nnc3SC2)cc1.c14ccccn1 |
34789 | COc1ccc(C2=Nn3c(nnc3-c3ccco3)SC2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][C][=Branch1][=N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1][S][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][O][C] | c14ccc(C2=Nn3c6nnc3SC2)cc15.c16ccco1.CO4.O5C |
34790 | c1coc(-c2nnc3sc(C4CCCCC4)nn23)c1 | [C][=C][O][C][Branch2][Ring1][#Branch1][C][=N][N][=C][S][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O][=C][Ring2][Ring1][Ring1] | c15nnc2sc6nn12.C16CCCCC1.c1coc5c1 |
34791 | CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][=C][Ring1][=N][N][C] | c16cnc7nc15.n17nc(C)cc1C.C36=O.CC4.O34.N5C |
34792 | CCn1c(SCc2ccc(C)cc2)nnc1-c1cnccn1 | [C][C][N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][N][=C][C][=N][Ring1][=Branch1] | n14c6nnc17.c15ccc(C)cc1.c17cnccn1.CC4.S36.C35 |
34793 | Cc1ccc(C)c(CSc2nnc(-c3ccccn3)n2N)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][N][=C][Ring2][Ring1][Branch1] | Cc1ccc(C)c5c1.c16nnc7n1N.c17ccccn1.C45.S46 |
34795 | COC(=O)Cn1c2ccc(F)cc2c2nc3ccccc3nc21 | [C][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring2][Ring1][C] | n15c2ccc(F)cc2c2nc3ccccc3nc21.C4(=O)C5.CO4 |
34796 | CSc1nnc(C(C)NC(=O)OC(C)(C)C)o1 | [C][S][C][=N][N][=C][Branch2][Ring1][Ring1][C][Branch1][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][#C] | c17nnc6o1.C4(C)(C)C.C56C.C23=O.CS7.N35.O24 |
34797 | Cc1ccccc1CSc1nnc(-c2ccncc2)n1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][C] | Cc1ccccc14.c15nnc6n1C.c16ccncc1.C34.S35 |
34799 | N#Cc1ccc(CSc2nnc(-c3ccco3)n2N)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][N][C][=C][Ring2][Ring1][Ring1] | N#Cc1ccc5cc1.c16nnc7n1N.c17ccco1.C45.S46 |
34800 | Nn1c(SCc2c(F)cccc2F)nnc1-c1ccco1 | [N][N][C][Branch1][#C][S][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][N][=C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | c14c(F)cccc1F.Nn1c5nnc16.c16ccco1.S35.C34 |
34801 | COc1ccc2c(c1)[nH]c1c(N3CCC(C)CC3)ncnc12 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=C][Branch1][N][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][N][=C][N][=C][Ring1][=N][Ring1][P] | c14ccc2c(c1)[nH]c1c5ncnc12.N15CCC(C)CC1.CO4 |
34802 | COc1cccc(-c2nn3c(-c4ccco4)nnc3s2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=N][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][#Branch2][S][Ring1][=N][=C][Ring2][Ring1][Ring1] | c17nn2c6nnc2s1.c15cccc7c1.c16ccco1.CO5 |
34803 | CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CCCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][=C][Ring1][=N][N][C][C][C][C][Ring1][Branch1] | c16cnc7nc15.n17nc(C)cc1C.N15CCCC1.C36=O.CC4.O34 |
34804 | O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccn1 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | N15C(=O)c2ccccc2S1(=O)=O.c16ccccn1.O=C3C5.N34.C46 |
34805 | CSc1nnc(C2CCCN2C(=O)OC(C)(C)C)o1 | [C][S][C][=N][N][=C][Branch2][Ring1][Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][P] | c16nnc7o1.C17CCCN14.C5(C)(C)C.C34=O.CS6.O35 |
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