ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
37841 | Fc1ccccc1Nc1nc(-c2ccncc2)cs1 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][S][Ring1][O] | Fc1ccccc14.c13nc5cs1.c15ccncc1.N34 |
37842 | Cn1c(SCc2nc3ccccc3s2)nnc1-c1ccncc1 | [C][N][C][Branch1][S][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][N][=C][Ring1][S][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15nc2ccccc2s1.Cn1c6nnc17.c17ccncc1.S46.C45 |
37843 | O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)c1ccccc1 | [O][=C][Branch2][Ring1][Branch2][C][N][N][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15nnc2sc3c(c2c1=O)CCCC3.c14ccccc1.O=C4C5 |
37844 | CCOc1ccc(C(=O)N2CCOCC2)cc1OC | [C][C][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][O][C] | c15ccc7cc16.N13CCOCC1.C37=O.CC4.O45.O6C |
37845 | O=C(Nc1nc(-c2ccccc2)ns1)c1cccs1 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][S][Ring1][O][C][=C][C][=C][S][Ring1][Branch1] | c14nc6ns1.c16ccccc1.c15cccs1.O=C35.N34 |
37846 | c1ccc(Cc2nnc3sc(-c4ccncc4)nn23)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=N][N][=C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c15nnc2sc7nn12.c1ccc6cc1.c17ccncc1.C56 |
37849 | Cc1ccccc1-c1nnn(CC(=O)N2CCCC2)n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][=Ring1][=N] | Cc1ccccc15.c15nnn4n1.N13CCCC1.C4C3=O |
37850 | Cc1nc2ccc(NC(=O)N3CCCCC3)cc2s1 | [C][C][=N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][S][Ring2][Ring1][C] | Cc1nc2ccc6cc2s1.N15CCCCC1.C45=O.N46 |
37851 | CC1(C)CC(=O)c2cnn(-c3nc4ccccc4[nH]3)c2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C][=N][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=Ring1][=C][C][Ring2][Ring1][Ring2] | CC1(C)CC(=O)c2cnn5c2C1.c15nc2ccccc2[nH]1 |
37853 | CN(c1ccc(O)cc1)c1nc(-c2cccnc2)cs1 | [C][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O] | c14ccc(O)cc1.c13nc5cs1.c15cccnc1.CN34 |
37854 | COc1ccc(C2(C(=O)NC(C)C)CCOCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][O][C][C][Ring1][N][C][=C][Ring2][Ring1][C] | c14ccc7cc1.C167CCOCC1.C36=O.C5(C)C.CO4.N35 |
37856 | Fc1ccc(-c2csc(NCc3ccco3)n2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C] | Fc1ccc7cc1.c17csc5n1.c16ccco1.N45.C46 |
37857 | c1ccc(CCNc2nc(-c3cccnc3)cs2)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c1ccc6cc1.c15nc7cs1.c17cccnc1.C6C4.N45 |
37858 | COc1ccccc1C(=O)Nc1ccc(N(C)C(C)=O)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][=O][C][=C][Ring1][O] | c14ccccc17.c15ccc6cc1.C27=O.N36C.C3(C)=O.CO4.N25 |
37859 | CC(=O)Nc1cccc(-c2csc(Nc3cccc(C)n3)n2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=C][S][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=N][Ring1][=N][=C][Ring2][Ring1][Ring1] | c17cccc8c1.c16cccc(C)n1.c18csc5n1.CC4=O.N47.N56 |
37860 | COc1ccccc1S(=O)(=O)n1cc(-c2ccc(F)cc2)c(N)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][N][=N][Ring1][=N] | c13ccccc1S(=O)(=O)n1cc4c(N)n1.c14ccc(F)cc1.CO3 |
37861 | CCOC(=O)C1CCN(C(=O)Nc2ccc3snnc3c2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][S][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][Ring2][Ring1][C] | c18ccc2snnc2c1.C19CCN5CC1.C49=O.C56=O.CC7.O47.N68 |
37862 | CCOC(=O)N1CCN(c2cc3nccnc3cc2F)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=C][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][F][C][C][Ring1][P] | c17cc2nccnc2cc1F.N15CCN7CC1.C45=O.CC6.O46 |
37863 | CSc1nnc(COc2cccc3ccc(C)nc23)n1C | [C][S][C][=N][N][=C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][O][Ring1][#Branch1][N][Ring2][Ring1][C][C] | c15cccc2ccc(C)nc12.c17nnc6n1C.CS7.C46.O45 |
37864 | CC1CCc2c(sc3c2c2nnnn2c2nnnn32)C1 | [C][C][C][C][C][=C][Branch2][Ring1][=Branch1][S][C][=C][Ring1][Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=N][N][=N][N][Ring1][N][Ring1][Branch1][C][Ring2][Ring1][Ring1] | CC1CCc2c(sc3c2c2nnnn2c2nnnn32)C1 |
37865 | CC12CCC(C(=O)NCc3ccc(Cl)cc3)(OC1=O)C2(C)C | [C][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Branch1][=Branch1][O][C][Ring1][P][=O][C][Ring2][Ring1][Ring1][Branch1][C][C][C] | CC12CCC6(OC1=O)C2(C)C.c17ccc(Cl)cc1.C46=O.N45.C57 |
37866 | CC(=O)Oc1ccc(-c2csc(Nc3ncccn3)n2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C] | c15ccc8cc1.c18csc6n1.c17ncccn1.CC4=O.O45.N67 |
37868 | O=C(CC1COc2ccccc2O1)Nc1cccc(C(F)(F)F)c1 | [O][=C][Branch1][S][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | C15COc2ccccc2O1.c14cccc6c1.O=C3C5.C6(F)(F)F.N34 |
37869 | Cc1csc(NC(=O)CSc2ncn(-c3ccccc3)n2)n1 | [C][C][=C][S][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][=N][Ring2][Ring1][Branch1] | Cc1csc6n1.c18ncn7n1.c17ccccc1.C4(=O)C5.N46.S58 |
37871 | Cc1ccc2cccc(S(=O)(=O)n3nc(C)cc3C)c2n1 | [C][C][=C][C][=C][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][Ring1][S][=N][Ring2][Ring1][Ring2] | Cc1ccc2cccc(S(=O)(=O)n3nc(C)cc3C)c2n1 |
37873 | CSc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][C][O][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | c15ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1.CS5 |
37875 | O=C(NCc1ccco1)c1nc2ccccc2s1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c15nc2ccccc2s1.c16ccco1.O=C35.N34.C46 |
37876 | Cc1nc(C)c(-c2csc(NCCc3ccccc3)n2)s1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][C][=C][S][C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=C][S][Ring2][Ring1][Ring2] | Cc1nc(C)c7s1.c17csc5n1.c16ccccc1.C4C6.N45 |
37877 | Nc1nn(S(=O)(=O)c2ccccc2)cc1-c1ccc(F)cc1 | [N][C][=N][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Nc1nn(S(=O)(=O)c2ccccc2)cc13.c13ccc(F)cc1 |
37879 | O=C(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 | [O][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccc(F)cc1.c14ccccc1.O=C24.N23 |
37880 | O=C(Nc1ccon1)c1cccc(S(=O)(=O)N2CCCC2)c1 | [O][=C][Branch1][=Branch2][N][C][C][=C][O][N][=Ring1][Branch1][C][=C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=C] | c16cccc(S4(=O)=O)c1.c15ccon1.N14CCCC1.O=C36.N35 |
37882 | COc1ccc(CCNc2nc(-c3ccccn3)cs2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c14ccc8cc15.c17nc9cs1.c19ccccn1.C8C6.CO4.N67.O5C |
37884 | c1cnc2cc(Oc3ccc4nccnc4c3)ccc2n1 | [C][=C][N][=C][C][=C][Branch1][S][O][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][Ring1][P][=N][Ring2][Ring1][Branch1] | c1cnc2cc5ccc2n1.c16ccc2nccnc2c1.O56 |
37885 | COC(=O)c1cn(CC(=O)NC(C)C)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1] | c16cn7c2ccccc12.C7C4=O.C36=O.C5(C)C.CO3.N45 |
37886 | CCOc1ccc(NC(=O)CSc2ccccc2N)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring2][Ring1][C] | c15ccc7cc1.c18ccccc1N.C3(=O)C6.CC4.O45.N37.S68 |
37887 | Cc1cccnc1Nc1nc(-c2ccccn2)cs1 | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O] | Cc1cccnc13.c14nc5cs1.c15ccccn1.N34 |
37888 | O=S(=O)(CCSc1ccccn1)c1nc2ccccc2s1 | [O][=S][=Branch1][C][=O][Branch1][N][C][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | O=S(=O)(CC3)c1nc2ccccc2s1.c14ccccn1.S34 |
37889 | O=C1CC(c2ccccc2F)c2cc3c(cc2N1)OCCO3 | [O][=C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][N][Ring1][P][O][C][C][O][Ring1][=Branch2] | O=C1CC(c2ccccc2F)c2cc3c(cc2N1)OCCO3 |
37893 | COc1ccc(C2(C(=O)N3CCOCC3)CCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c15ccc7cc1.C167CCCC1.N14CCOCC1.C46=O.CO5 |
37894 | CC(=O)c1ccc(Nc2nc(-c3cccnc3)cs2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][C][=C][Ring2][Ring1][C] | c16ccc5cc1.c14nc7cs1.c17cccnc1.CC6=O.N45 |
37895 | Cc1nc2ccccc2n1CC(=O)NCc1ccccc1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2ccccc2n15.c16ccccc1.C5C3=O.N34.C46 |
37897 | Cn1c(SCC(=O)NC2CCCCCC2)nnc1-c1ccco1 | [C][N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][=C][C][=C][O][Ring1][Branch1] | Cn1c6nnc17.C15CCCCCC1.c17ccco1.C4C3=O.S46.N35 |
37900 | COc1ccc(CCNc2nc(-c3ccncc3)cs2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][S][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c14ccc8cc15.c17nc9cs1.c19ccncc1.C8C6.CO4.N67.O5C |
37901 | O=C(CSc1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 | [O][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c16ccc(F)cc1.O=C3C4.S46.N35 |
37902 | Cc1ccccc1S(=O)(=O)NC(=O)c1ccccc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1ccccc1S3(=O)=O.c14ccccc1.C24=O.N23 |
37903 | Cc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][N][C][S][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][=C][S][Ring1][N][N][=C][Ring2][Ring1][Ring1] | Cc1ccc4nc1.c16sc(C)nc1C.c15nc6cs1.N45 |
37904 | Cc1cc(O)ccc1Nc1nc(-c2cccnc2)cs1 | [C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O] | Cc1cc(O)ccc14.c13nc5cs1.c15cccnc1.N34 |
37905 | CC1(C)CC(=O)c2cnc(NCc3ccc4c(c3)OCO4)nc2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][=C][Ring1][P][C][Ring2][Ring1][#Branch1] | CC1(C)CC(=O)c2cnc6nc2C1.c17ccc2c(c1)OCO2.N56.C57 |
37906 | CCOC(=O)c1c(N)n(C)c2nc3ccccc3nc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#C][Ring1][#Branch2] | c16c(N)n(C)c2nc3ccccc3nc12.C46=O.CC5.O45 |
37907 | NS(=O)(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | NS(=O)(=O)c1ccc5cc1.C167CCCC1.c17ccccc1.C46=O.N45 |
37908 | COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][Cl] | c13ccc(S4(=O)=O)cc1Cl.c15ccc6cc1.C6(N)=O.CO3.N45 |
37911 | Cc1nc(C)c(-c2csc(Nc3cccnc3)n2)s1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N][S][Ring2][Ring1][C] | Cc1nc(C)c6s1.c16csc4n1.c15cccnc1.N45 |
37912 | COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][Cl] | c13ccc(S4(=O)=O)cc1Cl.c15cccc6c1.C6(C)=O.CO3.N45 |
37913 | c1ccc(-c2nnc3sc(-c4ccncc4)nn23)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c15nnc2sc6nn12.c1ccc5cc1.c16ccncc1 |
37914 | Cc1ccc(C)c(C2CC(=O)Nc3cc4c(cc32)OCCO4)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][C][O][Ring1][Branch2][=C][Ring2][Ring1][=Branch1] | Cc1ccc(C)c(C2CC(=O)Nc3cc4c(cc32)OCCO4)c1 |
37915 | CC(=O)Nc1ccc(-c2csc(Nc3ccccn3)n2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C] | c17ccc8cc1.c18csc5n1.c16ccccn1.CC4=O.N47.N56 |
37916 | CC1CCc2c(sc3c2c2nncn2c2nncn32)C1 | [C][C][C][C][C][=C][Branch2][Ring1][=Branch1][S][C][=C][Ring1][Branch1][C][=N][N][=C][N][Ring1][Branch1][C][=N][N][=C][N][Ring1][N][Ring1][Branch1][C][Ring2][Ring1][Ring1] | CC1CCc2c(sc3c2c2nncn2c2nncn32)C1 |
37917 | Clc1ccc(Nc2nc(-c3ccccn3)cs2)nc1 | [Cl][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O][N][=C][Ring2][Ring1][C] | Clc1ccc4nc1.c15nc6cs1.c16ccccn1.N45 |
37918 | O=C(NCc1ccco1)c1ccc2c(c1)C(=O)c1ccccc1-2 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | c15ccc2c(c1)C(=O)c1ccccc1-2.c16ccco1.O=C35.N34.C46 |
37919 | CN(c1ccc(O)cc1)c1nc(-c2ccccn2)cs1 | [C][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O] | c14ccc(O)cc1.c13nc5cs1.c15ccccn1.CN34 |
37920 | Cc1cc(C)c(-c2cc(C(F)(F)F)[nH]n2)c(=O)[nH]1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][N][=Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][P] | Cc1cc(C)c4c(=O)[nH]1.c14cc3[nH]n1.C3(F)(F)F |
37921 | c1ccc(CCNc2nc(-c3ccccn3)cs2)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c1ccc6cc1.c15nc7cs1.c17ccccn1.C6C4.N45 |
37923 | NC(=O)CSc1nnc(-c2cccnc2)s1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | c14nnc5s1.c15cccnc1.NC(=O)C3.S34 |
37924 | CCn1nnc(NC(=O)CSc2ccc(Cl)cc2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][P] | c17ccc(Cl)cc1.n16nnc5n1.C3(=O)C4.CC6.N35.S47 |
37925 | COC(=O)c1cn(CC(=O)NC(C)(C)C)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | c16cn7c2ccccc12.C7C4=O.C5(C)(C)C.C36=O.CO3.N45 |
37927 | Cc1c(C(=O)N2CCCC2)oc2c1C(=O)CC(C)(C)C2 | [C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][O][C][=C][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2] | Cc1c4oc2c1C(=O)CC(C)(C)C2.N13CCCC1.C34=O |
37928 | O=C(CSc1ncccn1)Nc1cc(Cl)cc(Cl)c1 | [O][=C][Branch1][O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14cc(Cl)cc(Cl)c1.c15ncccn1.O=C2C3.S35.N24 |
37929 | Cn1c(=O)n2ncnc2c2c3c(sc21)CCCC3 | [C][N][C][=Branch1][C][=O][N][N][=C][N][=C][Ring1][Branch1][C][C][=C][Branch1][#Branch1][S][C][=Ring1][Branch1][Ring1][=N][C][C][C][C][Ring1][Branch2] | Cn1c(=O)n2ncnc2c2c3c(sc21)CCCC3 |
37930 | Cc1c(C(=O)N2CCOCC2)oc2c1C(=O)CC(C)(C)C2 | [C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][O][C][=C][Ring1][=N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2] | Cc1c4oc2c1C(=O)CC(C)(C)C2.N13CCOCC1.C34=O |
37931 | Cn1ccnc1SCC(=O)Nc1cccc(F)c1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c14cccc(F)c1.Cn1ccnc15.C3C2=O.S35.N24 |
37932 | c1cncc(Nc2nc(-c3ccncc3)cs2)c1 | [C][=C][N][=C][C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring2][Ring1][C] | c1cncc5c1.c14nc6cs1.c16ccncc1.N45 |
37933 | O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCCc1ccccc1 | [O][=C][Branch2][Ring1][=Branch2][C][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c6nc2ccccc21.c17ccccc1.O=C3C5.C6(F)(F)F.C4C7.N34 |
37935 | Cc1ccccc1-c1nnn(CC(=O)Nc2ccc3c(c2)OCO3)n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][=Ring2][Ring1][C] | c15ccc2c(c1)OCO2.Cc1ccccc17.c17nnn6n1.C6C4=O.N45 |
37936 | O=c1c2ccccc2ncn1CCOc1ccccc1Cl | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][#Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | O=c1c2ccccc2ncn15.c14ccccc1Cl.C5C3.O34 |
37937 | CCC(CC)C(=O)Nc1ccc(OC)c(NC(=O)c2ccco2)c1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][S] | c16ccc5c7c1.CCC(CC)C3=O.c18ccco1.C48=O.N36.O5C.N47 |
37938 | O=C(Nc1cccc(OCC(=O)N2CCOCC2)c1)C1CCCCC1 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S][C][C][C][C][C][C][Ring1][=Branch1] | c17cccc6c1.N14CCOCC1.C18CCCCC1.C5C4=O.O=C38.N37.O56 |
37939 | CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(Cl)cc1.C2(=O)C3.CN2C.N34C |
37940 | CC(=O)Nc1ccc(C(=O)OCc2ccc(C(C)=O)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c16ccc7cc1.c19ccc8cc1.CC4=O.C37=O.C8(C)=O.N46.O35.C59 |
37941 | Cc1cccc2c1N(C)C(=O)C2(O)CC(=O)c1ccco1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][#Branch1][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | Cc1cccc2c1N(C)C(=O)C2(O)CC3=O.c13ccco1 |
37942 | CC(=O)Nc1cccc(OCC(=O)N(C)c2ccccc2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | c17cccc6c1.c18ccccc1.C5C4=O.CC3=O.N48C.N37.O56 |
37943 | COC(=O)C(C)(C)NC(=O)Nc1ccc(Cl)cc1Cl | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c16ccc(Cl)cc1Cl.C2(=O)C5(C)C.C34=O.CO2.N35.N46 |
37944 | CC(=O)c1ccc(OC(=O)C2CC(=O)N(c3cccc(C)c3)C2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c17ccc5cc1.C16CC(=O)N8C1.c18cccc(C)c1.CC7=O.C46=O.O45 |
37946 | CC(C)Oc1ccccc1OCCn1cnc2ccccc2c1=O | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | n17cnc2ccccc2c1=O.c15ccccc16.CC3C.C4C7.O35.O46 |
37947 | CCCS(=O)(=O)c1ccc(COc2ccc(NC(C)=O)cc2)cc1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | CCCS(=O)(=O)c1ccc7cc1.c15ccc6cc1.C3(C)=O.C47.O45.N36 |
37949 | COc1cccc(-c2nc3ccc(O)cc3c(=O)o2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring1][N][=C][Ring2][Ring1][C] | c15nc2ccc(O)cc2c(=O)o1.c14cccc5c1.CO4 |
37951 | COc1ccccc1OC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N] | c14ccccc15.C16CC(=O)N7C1.c17ccc(Cl)cc1.C36=O.CO4.O35 |
37952 | O=C(Nc1ccc2c(c1)OCO2)OCc1ccccc1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c17ccccc1.O=C34.N46.O35.C57 |
37953 | Cc1cc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)no1 | [C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][=N][O][Ring2][Ring1][=Branch1] | c19ccc7cc1.Cc1cc6no1.c18cccs1.C49=O.C58=O.N46.N57 |
37954 | Cc1ccc(N2CC(C(=O)Oc3ccccc3Cl)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.N17CC6CC1=O.c15ccccc1Cl.C46=O.O45 |
37957 | CNC(=O)COc1ccc(Br)cc1C | [C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C] | c14ccc(Br)cc1C.C2(=O)C3.CN2.O34 |
37959 | Cc1ccc(C(=O)N(C)Cc2ccccc2)c(Cl)c1 | [C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][C] | Cc1ccc5c(Cl)c1.c16ccccc1.C35=O.N34C.C46 |
37960 | CCc1ccc2c(c1)C(O)(CC(=O)c1ccco1)C(=O)N2 | [C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][Branch1][=N][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][S] | c14ccc2c(c1)C(O)(CC3=O)C(=O)N2.c13ccco1.CC4 |
37962 | Cc1nc(NC(=O)COc2cccc3ccccc23)sc1C | [C][C][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][S][C][=Ring2][Ring1][Ring2][C] | c16cccc2ccccc12.Cc1nc7sc1C.C4(=O)C5.N47.O56 |
37963 | CC(=O)c1ccc(COc2ccccc2C(C)=O)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][P] | c15ccc7cc1.c14ccccc16.CC5=O.C6(C)=O.C37.O34 |
37964 | CCOC(=O)Nc1cccc(NS(C)(=O)=O)c1 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O] | c16cccc7c1.S5(C)(=O)=O.C23=O.CC4.O24.N36.N57 |
37965 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)c(Cl)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2] | C2(=O)C1=C(C)NC(=O)NC15.c15ccc4c(Cl)c1.CC3.O23.O4C |
37966 | CC=Cc1ccc(OCCn2cnc3ccccc3c2=O)c(OC)c1 | [C][C][=C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | n18cnc2ccccc2c1=O.C=7c1ccc5c6c1.C4C8.CC=7.O45.O6C |
37967 | COC(=O)COc1cccc(NC(=O)c2ccccc2)c1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C] | c16cccc7c1.c18ccccc1.C3(=O)C5.C48=O.CO3.O56.N47 |
37968 | Nc1nncn1C(=O)c1ccc(Cl)c(Cl)c1 | [N][C][=N][N][=C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | Nc1nncn1C2=O.c12ccc(Cl)c(Cl)c1 |
37969 | Cc1ccc(C(=O)N2CC(C)OC(C)C2)c(Cl)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][Branch1][C][Cl][=C][Ring1][P] | Cc1ccc4c(Cl)c1.N13CC(C)OC(C)C1.C34=O |
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