ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
36095 | Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 | [N][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] | Nc1ccc(S4(=O)=O)cc1.c15ccccc1.N34.C35 |
36096 | CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | S6(=O)(=O)c1ccc7cc1.c18ccccc1.CC5(C)C.C34=O.N56.N37.N48 |
36097 | COC(=O)CC1C(=O)NCCN1C(=O)c1ccc(F)cc1 | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C15C(=O)NCCN13.c14ccc(F)cc1.C2(=O)C5.C34=O.CO2 |
36098 | COc1ccccc1Oc1cc(C#N)c(C#N)cc1N1CCOCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][Ring1][C][#N][C][=C][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c14cc(C#N)c(C#N)cc15.c12ccccc13.N15CCOCC1.CO2.O34 |
36099 | COc1ccc(Oc2cc(C#N)c(C#N)cc2N2CCOCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][Ring1][C][#N][C][=C][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | c15cc(C#N)c(C#N)cc16.c13ccc4cc1.N16CCOCC1.CO3.O45 |
36100 | CCOC(=O)c1ccc(NC(=O)CC2Sc3ncnn3C2=O)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][S][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][Branch2][=O][C][=C][Ring2][Ring1][Ring1] | C19Sc2ncnn2C1=O.c18ccc7cc1.C5(=O)C9.C48=O.CC6.O46.N57 |
36101 | COc1cc(NC(=O)CC(C)C)ccc1NC(=O)C(C)C | [C][O][C][=C][C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | c14cc5ccc16.C2(=O)CC(C)C.C3(=O)C(C)C.CO4.N25.N36 |
36102 | COc1cc(NC(=O)Cc2ccccc2)ccc1NC(=O)C(C)C | [C][O][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | c15cc6ccc17.c18ccccc1.C4(=O)C(C)C.C3(=O)C8.CO5.N36.N47 |
36103 | COc1cc(NC(=O)c2ccccc2)ccc1NC(=O)C(C)C | [C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | c15cc6ccc17.c18ccccc1.C4(=O)C(C)C.C38=O.CO5.N36.N47 |
36104 | COc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | c17ccc8c6c1.c15ccc9cc1.C4(=O)C(C)C.C39=O.CO5.N37.N48.O6C |
36105 | COc1cccc(OC)c1C(=O)Nc1cccc2ncccc12 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c16cccc2ncccc12.c14cccc5c17.C37=O.CO4.O5C.N36 |
36106 | O=C(Nc1cccc(Cl)c1N1CCCCC1)c1cccnc1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13cccc(Cl)c14.N14CCCCC1.c15cccnc1.O=C25.N23 |
36107 | O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccccc1F | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c13cccc(Cl)c14.c15ccccc1F.N14CCOCC1.O=C25.N23 |
36108 | O=C(Nc1cccc2ncccc12)c1ccccc1F | [O][=C][Branch1][S][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14cccc2ncccc12.c15ccccc1F.O=C35.N34 |
36110 | CCCC(=O)Nc1cc(Cl)ccc1N1CCOCC1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c13cc(Cl)ccc14.N14CCOCC1.CCCC2=O.N23 |
36111 | CCCC(=O)Nc1ccc(-c2nn3c(CC)nnc3s2)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=N][N][C][Branch1][Ring1][C][C][=N][N][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][Ring1][S] | c17nn2c6nnc2s1.c15ccc7cc1.CCCC4=O.N45.C6C |
36112 | O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccnc1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13cccc(Cl)c14.N14CCOCC1.c15cccnc1.O=C25.N23 |
36113 | O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cccnc1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13cc(Cl)ccc14.N14CCOCC1.c15cccnc1.O=C25.N23 |
36114 | O=C(Nc1cccc2ncccc12)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14cccc2ncccc12.c15ccc2c(c1)OCCO2.O=C35.N34 |
36115 | COc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c15cc(Cl)ccc16.c14ccc7cc1.N16CCOCC1.C37=O.CO4.N35 |
36117 | CC(C)CC(=O)Nc1ccccc1N1CCN(S(C)(=O)=O)CC1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | c14ccccc15.N15CCN3CC1.CC(C)CC2=O.S3(C)(=O)=O.N24 |
36118 | CC(C)CC(=O)Nc1cccc(Cl)c1N1CCOCC1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c13cccc(Cl)c14.CC(C)CC2=O.N14CCOCC1.N23 |
36119 | CC(C)CC(=O)Nc1cc(Cl)ccc1N1CCOCC1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c13cc(Cl)ccc14.CC(C)CC2=O.N14CCOCC1.N23 |
36120 | COc1cc(OC)cc(C(=O)Nc2cccc3ncccc23)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | c17cccc2ncccc12.c15cc6cc8c1.C48=O.CO5.O6C.N47 |
36121 | CCOc1cccc(C(=O)Nc2cccc3cccnc23)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c17cccc2cccnc12.c16cccc8c1.C48=O.CC5.O56.N47 |
36122 | CCOc1cccc(C(=O)Nc2cccc3ncccc23)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c17cccc2ncccc12.c16cccc8c1.C48=O.CC5.O56.N47 |
36125 | O=C(Nc1cccc2cccnc12)c1cc2ccccc2o1 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c14cccc2cccnc12.c15cc2ccccc2o1.O=C35.N34 |
36126 | O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccco1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] | c13cc(Cl)ccc14.N14CCOCC1.c15ccco1.O=C25.N23 |
36127 | CCc1nnc2sc(-c3ccc(NC(=O)c4ccco4)cc3)nn12 | [C][C][C][=N][N][=C][S][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][=N][N][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1] | c18nnc2sc9nn12.c19ccc6cc1.c17ccco1.C57=O.CC8.N56 |
36130 | O=C(Nc1cccc2cccnc12)c1cccc(Cl)c1 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c14cccc2cccnc12.c15cccc(Cl)c1.O=C35.N34 |
36131 | O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccs1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] | c13cccc(Cl)c14.N14CCOCC1.c15cccs1.O=C25.N23 |
36132 | Cc1oc2nc(SCC(=O)NCc3cccnc3)nc(N)c2c1C | [C][C][O][C][=N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch1][C][N][=C][Ring2][Ring1][Ring1][C][=Ring2][Ring1][=Branch1][C] | Cc1oc2nc8nc(N)c2c1C.c17cccnc1.C6C4=O.S68.N45.C57 |
36133 | COc1ccc(C(=O)Cc2nc(C)cs2)c(O)c1 | [C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][C][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][Branch1][C][O][=C][Ring1][S] | c13ccc4c(O)c1.c15nc(C)cs1.C4(=O)C5.CO3 |
36134 | CCn1nnc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 | [C][C][N][N][=N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][Cl][=N][Ring2][Ring1][Ring1] | c16sc2cc(Cl)ccc2c1Cl.n17nnc5n1.C46=O.CC7.N45 |
36135 | CCCn1nnc(NC(=O)c2ccc(OCC)cc2)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][=N][Ring1][P] | c17ccc5cc1.n18nnc6n1.CCC8.C37=O.N36.O45.C4C |
36136 | CCCn1nnc(NC(=O)c2cccc(OC(C)C)c2)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][C] | c17cccc5c1.n18nnc6n1.CCC8.C37=O.C4(C)C.N36.O45 |
36137 | CCCn1nnnc1NC(=O)COc1cc(C)cc(C)c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2] | c14cc(C)cc(C)c1.n16nnnc15.C2(=O)C3.CCC6.N25.O34 |
36138 | CC(=O)Nc1ccc2nc(NC(=O)c3cccc4ccccc34)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c18ccc2nc7oc2c1.c19cccc2ccccc12.CC5=O.C69=O.N58.N67 |
36139 | CCn1nnc(NC(=O)c2sc3ccccc3c2Cl)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl][=N][Ring2][Ring1][C] | c16sc2ccccc2c1Cl.n17nnc5n1.C46=O.CC7.N45 |
36140 | CCn1nnc(NC(=O)COc2ccc(C)cc2C)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][C] | c15ccc(C)cc1C.n17nnc6n1.C3(=O)C4.CC7.N36.O45 |
36141 | CCC(=O)Nc1cc(NC(=O)c2ccco2)ccc1OC | [C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][=C][O][C] | c16cc7ccc15.c18ccco1.CCC3=O.C48=O.N36.N47.O5C |
36142 | CCn1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][=N][Ring2][Ring1][=Branch1] | c18cccc6c1.n19nnc7n1.c1%10ccccc1.C48=O.CC9.N47.O56.C5%10 |
36143 | CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C)cc3Cl)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Cl][O][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c17ccc2nc6oc2c1.c18ccc(C)cc1Cl.CC4=O.C58=O.N47.N56 |
36144 | CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Cl)cc3)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c17ccc2nc6oc2c1.c18ccc(Cl)cc1.CC4=O.C58=O.N47.N56 |
36147 | CCn1nnc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][Ring1][N][=N][Ring2][Ring1][Ring2] | c18cccc(Cl)c1.n17nnc5n1.c16ccc8o1.C46=O.CC7.N45 |
36148 | CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3F)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c17ccc2nc6oc2c1.c18ccccc1F.CC4=O.C58=O.N47.N56 |
36149 | CCn1nnc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N][=N][Ring2][Ring1][Ring2] | c18ccc(Cl)cc1.n17nnc5n1.c16ccc8o1.C46=O.CC7.N45 |
36150 | CCn1nnc(NC(=O)c2cccc3c(Br)cccc23)n1 | [C][C][N][N][=N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][O][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | c16cccc2c(Br)cccc12.n17nnc5n1.C46=O.CC7.N45 |
36151 | CCc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][O][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c16nc2ccc7cc2o1.c19ccc8cc1.C48=O.C5(C)=O.CC9.N46.N57 |
36152 | CC(=O)Nc1ccc2nc(NC(=O)c3ccc(F)cc3)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c17ccc2nc6oc2c1.c18ccc(F)cc1.CC4=O.C58=O.N47.N56 |
36153 | CCn1nnc(NC(=O)COc2ccc(Cl)cc2Cl)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][C] | c15ccc(Cl)cc1Cl.n17nnc6n1.C3(=O)C4.CC7.N36.O45 |
36154 | CC(C)C(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][O] | c14ccccc15.N15CCN3CC1.CC(C)C2=O.C3(=O)C(C)C.N24 |
36155 | CCn1nnc(NC(=O)c2ccc(Br)cc2)n1 | [C][C][N][N][=N][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring1][#C] | c15ccc(Br)cc1.n16nnc4n1.C35=O.CC6.N34 |
36156 | CCn1nnc(NC(=O)COc2ccc(OC)cc2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][C] | c15ccc6cc1.n18nnc7n1.C3(=O)C4.CC8.N37.O45.O6C |
36157 | O=C(Nc1ccc(Cl)cn1)c1ccc2c(c1)OCO2 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c14ccc(Cl)cn1.O=C35.N34 |
36158 | CC(=O)Nc1ccc2nc(NC(=O)c3cccnc3)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][Ring1][=C][=C][Ring2][Ring1][C] | c17ccc2nc6oc2c1.c18cccnc1.CC4=O.C58=O.N47.N56 |
36159 | Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)CC(C)C | [C][C][=C][C][=C][Branch1][S][C][=N][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C] | c16nn2c(C)nnc2s1.Cc1ccc6cc15.C4(=O)CC(C)C.N45 |
36160 | CC(C)C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][S][Ring1][#C] | c15nc2ccc6cc2s1.N16CCOCC1.CC(C)C4=O.N45 |
36161 | COc1c(C)cccc1C(=O)Nc1nc2ccc(NC(C)=O)cc2o1 | [C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][O][Ring1][=N] | c16nc2ccc7cc2o1.c15c8cccc1C.C38=O.C4(C)=O.CO5.N36.N47 |
36162 | CCOc1cccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3o2)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][O][Ring1][=N][=C][Ring2][Ring1][=Branch1] | c18nc2ccc9cc2o1.c17cccc%10c1.C4%10=O.C5(C)=O.CC6.O67.N48.N59 |
36163 | COc1cc2sc(NC(=O)C(C)C)nc2cc1Cl | [C][O][C][=C][C][S][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=N][C][=Ring1][O][C][=C][Ring1][#C][Cl] | c14cc2sc5nc2cc1Cl.C3(=O)C(C)C.CO4.N35 |
36164 | COc1ccccc1C(=O)Nc1nc2ccc(NC(C)=O)cc2o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][O][Ring1][=N] | c16nc2ccc7cc2o1.c15ccccc18.C38=O.C4(C)=O.CO5.N36.N47 |
36165 | CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C][=C][Ring2][Ring1][C] | c17ccc2nc6oc2c1.c18ccccc1.CC4=O.C58=O.N47.N56 |
36166 | CCn1nnc(NC(=O)COc2ccc(C(C)C)cc2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][Ring1] | c15ccc8cc1.n17nnc6n1.C3(=O)C4.C8(C)C.CC7.N36.O45 |
36167 | CCn1nnc(NC(=O)c2cc(Cl)ccc2Cl)n1 | [C][C][N][N][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][=N][Ring1][S] | c15cc(Cl)ccc1Cl.n16nnc4n1.C35=O.CC6.N34 |
36168 | COc1cc2sc(NC(=O)c3cccnc3)nc2cc1Cl | [C][O][C][=C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=Ring1][=C][C][=C][Ring2][Ring1][C][Cl] | c15cc2sc6nc2cc1Cl.c17cccnc1.C47=O.CO5.N46 |
36169 | CCn1nnc(NC(=O)c2cc(Br)ccc2Cl)n1 | [C][C][N][N][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Cl][=N][Ring1][S] | c15cc(Br)ccc1Cl.n16nnc4n1.C35=O.CC6.N34 |
36170 | CCn1nnc(NC(=O)COc2cc(C)c(Cl)c(C)c2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][Ring1] | c15cc(C)c(Cl)c(C)c1.n17nnc6n1.C3(=O)C4.CC7.N36.O45 |
36171 | CCn1nnc(NC(=O)c2cccc3c(Cl)cccc23)n1 | [C][C][N][N][=N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][O][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | c16cccc2c(Cl)cccc12.n17nnc5n1.C46=O.CC7.N45 |
36172 | CC(C)CC(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][S][Ring1][#C] | c15nc2ccc6cc2s1.CC(C)CC4=O.N16CCOCC1.N45 |
36173 | CCn1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][C] | c15ccc7cc1.n16nnc4n1.C7(C)(C)C.C35=O.CC6.N34 |
36174 | CCn1nnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=N][Ring2][Ring1][Ring2] | c18cc4c5c6c1.n19nnc7n1.C38=O.CC9.N37.O4C.O5C.O6C |
36175 | CCC(=O)Nc1cc(-c2nn3c(C)nnc3s2)ccc1C | [C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][S][C][=N][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][C][=C][Ring1][#C][C] | c16nn2c(C)nnc2s1.c15cc6ccc1C.CCC4=O.N45 |
36177 | CCn1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring1][S] | c15ccc(Cl)c(Cl)c1.n16nnc4n1.C35=O.CC6.N34 |
36178 | O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccccc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][S][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nc2ccc6cc2s1.N16CCOCC1.c17ccccc1.O=C47.N45 |
36180 | COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccccc1 | [C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc6cc17.c19ccccc1.c18ccco1.C38=O.C49=O.CO5.N36.N47 |
36181 | CCn1nnc(NC(=O)c2ccc(OC)c(Cl)c2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][=N][Ring1][P] | c16ccc4c(Cl)c1.n17nnc5n1.C36=O.CC7.N35.O4C |
36182 | CCn1nnc(NC(=O)c2cccc(Cl)c2)n1 | [C][C][N][N][=N][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring1][#C] | c15cccc(Cl)c1.n16nnc4n1.C35=O.CC6.N34 |
36183 | CCn1nnc(NC(=O)c2ccccc2Cl)n1 | [C][C][N][N][=N][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][#C] | c15ccccc1Cl.n16nnc4n1.C35=O.CC6.N34 |
36184 | CCn1nnc(NC(=O)c2ccc(C)cc2Cl)n1 | [C][C][N][N][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Cl][=N][Ring1][S] | c15ccc(C)cc1Cl.n16nnc4n1.C35=O.CC6.N34 |
36185 | COc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(C)C | [C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | c15ccc6cc17.c18ccco1.C4(=O)C(C)C.C38=O.CO5.N36.N47 |
36186 | CCC(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][O] | c14ccccc15.N15CCN3CC1.C3(=O)C(C)C.CCC2=O.N24 |
36187 | CCn1nnc(NC(=O)c2cc(Cl)cc(Cl)c2OC)n1 | [C][C][N][N][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][=N][Ring2][Ring1][C] | c16cc(Cl)cc(Cl)c14.n17nnc5n1.C36=O.CC7.N35.O4C |
36188 | CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3C)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c17ccc2nc6oc2c1.c18ccccc1C.CC4=O.C58=O.N47.N56 |
36189 | CCn1nnc(NC(=O)COc2ccccc2C)n1 | [C][C][N][N][=N][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][P] | c15ccccc1C.n17nnc6n1.C3(=O)C4.CC7.N36.O45 |
36191 | CCn1nnc(NC(=O)c2ccc(Cl)cc2)n1 | [C][C][N][N][=N][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][#C] | c15ccc(Cl)cc1.n16nnc4n1.C35=O.CC6.N34 |
36192 | CCn1nnc(NC(=O)COc2cccc(C)c2C)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][C] | c15cccc(C)c1C.n17nnc6n1.C3(=O)C4.CC7.N36.O45 |
36193 | CC(=O)Nc1ccc2nc(NC(=O)COc3ccccc3C)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c19ccc2nc8oc2c1.c17ccccc1C.C5(=O)C6.CC4=O.N49.N58.O67 |
36194 | CCn1nnc(NC(=O)COc2cccc3ccccc23)n1 | [C][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.n18nnc7n1.C4(=O)C5.CC8.N47.O56 |
36196 | CCC(=O)Nc1nc2cc(Cl)c(OC)cc2s1 | [C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][S][Ring1][N] | c15nc2cc(Cl)c4cc2s1.CCC3=O.N35.O4C |
36197 | CCn1nnc(NC(=O)COc2ccc(C)cc2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring1][P] | c15ccc(C)cc1.n17nnc6n1.C3(=O)C4.CC7.N36.O45 |
36198 | CC(=O)Nc1cc(-c2nn3c(C)nnc3s2)ccc1C | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][S][C][=N][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][C][=C][Ring1][#C][C] | c16nn2c(C)nnc2s1.c15cc6ccc1C.CC4=O.N45 |
36199 | CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C)cc3)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c19ccc2nc8oc2c1.c17ccc(C)cc1.C5(=O)C6.CC4=O.N49.N58.O67 |
36200 | CCC(C)c1ccc(OCC(=O)Nc2nnn(CC)n2)cc1 | [C][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][Ring1][C][C][N][=Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c18ccc5cc1.c16nnn7n1.CCC8C.C4C3=O.O45.N36.C7C |
36201 | CCn1nnc(NC(=O)c2cccc(C)c2OC)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][=N][Ring1][P] | c16cccc(C)c14.n17nnc5n1.C36=O.CC7.N35.O4C |
36202 | CCn1nnc(NC(=O)c2ccc(Cl)cc2Cl)n1 | [C][C][N][N][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring1][S] | c15ccc(Cl)cc1Cl.n16nnc4n1.C35=O.CC6.N34 |
36203 | COc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(C)(C)C | [C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C] | c15ccc6cc17.C4(=O)C(C)(C)C.c18ccco1.C38=O.CO5.N36.N47 |
36204 | O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccco1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][S][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | c15nc2ccc6cc2s1.N16CCOCC1.c17ccco1.O=C47.N45 |
36205 | CCn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][=N][Ring2][Ring1][Ring2] | c15cc(C)ccc18.n17nnc6n1.C3(=O)C4.C8(C)C.CC7.N36.O45 |
36206 | CCCC(=O)Nc1cc(NC(=O)c2ccco2)ccc1OC | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][=C][O][C] | c16cc7ccc15.CCCC3=O.c18ccco1.C48=O.N36.N47.O5C |
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