ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
24110 | Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc5cc1.c16cnn7c1C.c17ccccc1.C46=O.N45 |
24111 | Cc1c(C(=O)Nc2cccc(F)c2)cnn1-c1ccccc1 | [C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=N][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1c5cnn16.c14cccc(F)c1.c16ccccc1.C35=O.N34 |
24112 | COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][C][=C][Ring2][Ring1][Branch1] | c15ccc6cc1.c17cnn8c1C.c18ccccc1.C47=O.CO5.N46 |
24113 | COC(=O)c1cnn(-c2nc(OC)cc(OC)n2)c1C | [C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][P][C][=N][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=N][Ring1][#Branch2][C][=Ring1][#C][C] | c17nc4cc5n1.c16cnn7c1C.C36=O.CO3.O4C.O5C |
24114 | CCOC(=O)c1cnn(-c2cc(OC)ncn2)c1C | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=N][C][=N][Ring1][Branch2][C][=Ring1][=N][C] | c16cnn7c1C.c17cc5ncn1.C36=O.CC4.O34.O5C |
24115 | N#Cc1cnn(-c2cc(Oc3ccccc3)ncn2)c1N | [N][#C][C][C][=N][N][Branch2][Ring1][Ring2][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][=N][C][=Ring2][Ring1][C][N] | N#Cc1cnn6c1N.c16cc4ncn1.c15ccccc1.O45 |
24116 | CCc1nn(-c2cc(Oc3ccccc3)ncn2)c(N)c1C#N | [C][C][C][=N][N][Branch2][Ring1][Ring2][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][=N][C][Branch1][C][N][=C][Ring2][Ring1][Ring1][C][#N] | c16nn7c(N)c1C#N.c17cc4ncn1.c15ccccc1.CC6.O45 |
24117 | COC(=O)c1cnn(-c2cc(Oc3ccccc3)ncn2)c1N | [C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][Ring2][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][=N][C][=Ring2][Ring1][C][N] | c17cnn8c1N.c18cc5ncn1.c16ccccc1.C47=O.CO4.O56 |
24118 | CCc1nn2c(-c3cc(C)cc(C)c3)nnc2s1 | [C][C][C][=N][N][C][Branch1][#C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][=N][N][=C][Ring1][=N][S][Ring1][S] | c14nn2c5nnc2s1.c15cc(C)cc(C)c1.CC4 |
24119 | CCOC(=O)c1cnn(-c2cc(Oc3ccccc3)ncn2)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][Ring2][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][=N][C][=Ring2][Ring1][C][N] | c18cnn9c1N.c19cc6ncn1.c17ccccc1.C48=O.CC5.O45.O67 |
24120 | CCc1nn(-c2cc(Oc3ccccc3)ncn2)c(N)c1C(N)=O | [C][C][C][=N][N][Branch2][Ring1][Ring2][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][=N][C][Branch1][C][N][=C][Ring2][Ring1][Ring1][C][Branch1][C][N][=O] | c17nn8c(N)c16.c18cc4ncn1.c15ccccc1.C6(N)=O.CC7.O45 |
24121 | Cc1nc(Oc2ccccc2)cc(-n2ncc(C#N)c2N)n1 | [C][C][=N][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=N][N][N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch1][N][=N][Ring2][Ring1][Branch1] | Cc1nc3cc5n1.n15ncc(C#N)c1N.c14ccccc1.O34 |
24122 | Cc1nn(-c2cc(Oc3ccccc3)ncn2)c(N)c1C(N)=O | [C][C][=N][N][Branch2][Ring1][Ring2][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][=N][C][Branch1][C][N][=C][Ring2][Ring1][Ring1][C][Branch1][C][N][=O] | Cc1nn7c(N)c16.c17cc4ncn1.c15ccccc1.C6(N)=O.O45 |
24124 | Cc1c(C(=O)Nc2ccccc2F)cnn1-c1ccccc1 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1c5cnn16.c14ccccc1F.c16ccccc1.C35=O.N34 |
24125 | COc1ccccc1Oc1cc(-n2nc(C)cc2C)ncn1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][C][=N][Ring1][=N] | c14ccccc15.c13cc6ncn1.n16nc(C)cc1C.CO4.O35 |
24126 | Cc1c(C(=O)NCc2ccccc2)cnn1-c1ccccc1 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1c5cnn17.c16ccccc1.c17ccccc1.C35=O.N34.C46 |
24127 | CCOC(=O)c1cnn(-c2nc(OC)cc(OC)n2)c1C(F)(F)F | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][P][C][=N][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=N][Ring1][#Branch2][C][=Ring1][#C][C][Branch1][C][F][Branch1][C][F][F] | c19nc5cc6n1.c17cnn9c18.C8(F)(F)F.C37=O.CC4.O34.O5C.O6C |
24129 | CC(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)c2C)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][Ring2][Ring1][Branch1] | c16cccc5c1.c17cnn8c1C.c18ccccc1.CC6=O.C47=O.N45 |
24130 | Cc1cccc(C)c1NC(=O)c1cnn(-c2ccccc2)c1C | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C] | Cc1cccc(C)c14.c15cnn6c1C.c16ccccc1.C35=O.N34 |
24131 | CSc1nn(-c2cc(Oc3cccc(C)c3)ncn2)c(N)c1C#N | [C][S][C][=N][N][Branch2][Ring1][#Branch1][C][=C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C][C][Branch1][C][N][=C][Ring2][Ring1][Ring2][C][#N] | c17nn6c(N)c1C#N.c16cc4ncn1.c15cccc(C)c1.CS7.O45 |
24132 | CCc1nn(-c2cc(Oc3cccc(C)c3)ncn2)c(N)c1C#N | [C][C][C][=N][N][Branch2][Ring1][#Branch1][C][=C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C][C][Branch1][C][N][=C][Ring2][Ring1][Ring2][C][#N] | c16nn7c(N)c1C#N.c17cc4ncn1.c15cccc(C)c1.CC6.O45 |
24133 | COC(=O)c1cnn(-c2cc(Oc3cccc(C)c3)ncn2)c1C | [C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][#Branch1][C][=C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C][C][=Ring2][Ring1][Ring1][C] | c17cnn8c1C.c18cc5ncn1.c16cccc(C)c1.C47=O.CO4.O56 |
24134 | CC(=O)c1cccc(NC(=O)c2onc3c2CCCC3)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][N][=C][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C] | c16onc2c1CCCC2.c17cccc5c1.CC7=O.C46=O.N45 |
24135 | CCOC(=O)c1cnn(-c2cc(Oc3cccc(C)c3)ncn2)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][#Branch1][C][=C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C][C][=Ring2][Ring1][Ring1][N] | c18cnn9c1N.c19cc6ncn1.c17cccc(C)c1.C48=O.CC5.O45.O67 |
24136 | Cc1cccc(Oc2cc(-n3nc(C)c(C#N)c3N)ncn2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][O][C][=C][C][Branch1][S][N][N][=C][Branch1][C][C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][N][=N][C][=N][Ring1][#C][=C][Ring2][Ring1][=Branch1] | n16nc(C)c(C#N)c1N.Cc1cccc5c1.c14cc6ncn1.O45 |
24137 | Cc1cccc(Oc2cc(-n3ncc(C#N)c3N)ncn2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][C][=C][C][Branch1][=N][N][N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch1][N][=N][C][=N][Ring1][=C][=C][Ring2][Ring1][Branch1] | n16ncc(C#N)c1N.Cc1cccc5c1.c14cc6ncn1.O45 |
24138 | COC(=O)c1cnn(-c2cc(Oc3cccc(C)c3)ncn2)c1N | [C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][#Branch1][C][=C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C][C][=Ring2][Ring1][Ring1][N] | c17cnn8c1N.c18cc5ncn1.c16cccc(C)c1.C47=O.CO4.O56 |
24139 | Cc1cc(-c2nn3c(Cc4ccccc4C)nnc3s2)n(C)n1 | [C][C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Ring1][=N][S][Ring1][S][N][Branch1][C][C][N][=Ring2][Ring1][=Branch1] | c17nn2c5nnc2s1.Cc1cc7n(C)n1.c16ccccc1C.C56 |
24141 | COc1cccc(-c2nn3c(C)nnc3s2)c1OC | [C][O][C][=C][C][=C][C][Branch1][S][C][=N][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring1][#C][O][C] | c16nn2c(C)nnc2s1.c14cccc6c15.CO4.O5C |
24143 | COc1cc(-c2nn3c(C)nnc3s2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][S][C][=N][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c14cc7cc5c16.c17nn2c(C)nnc2s1.CO4.O5C.O6C |
24144 | Cc1nnc2sc(-c3ccccc3C(F)(F)F)nn12 | [C][C][=N][N][=C][S][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring2][Ring1][C][Ring1][#C] | Cc1nnc2sc5nn12.c15ccccc14.C4(F)(F)F |
24145 | Cc1nnc2sc(-c3cccc(C(F)(F)F)c3)nn12 | [C][C][=N][N][=C][S][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][N][Ring2][Ring1][C][Ring1][#C] | Cc1nnc2sc5nn12.c15cccc4c1.C4(F)(F)F |
24146 | Cc1nnc2sc(-c3cccc4ccccc34)nn12 | [C][C][=N][N][=C][S][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][N][Ring2][Ring1][C][Ring1][#C] | c15cccc2ccccc12.Cc1nnc2sc5nn12 |
24147 | Cc1nnc2sc(Cc3ccc(Cl)cc3Cl)nn12 | [C][C][=N][N][=C][S][C][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][N][Ring1][P][Ring1][=C] | Cc1nnc2sc4nn12.c15ccc(Cl)cc1Cl.C45 |
24148 | Cc1nnc2sc(Cc3ccc(Cl)cc3)nn12 | [C][C][=N][N][=C][S][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][S][Ring1][=N] | Cc1nnc2sc4nn12.c15ccc(Cl)cc1.C45 |
24149 | Cc1nnc2sc(Cc3cccc(Cl)c3)nn12 | [C][C][=N][N][=C][S][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][N][Ring1][S][Ring1][=N] | Cc1nnc2sc4nn12.c15cccc(Cl)c1.C45 |
24150 | Cc1nnc2sc(Cc3ccccc3Cl)nn12 | [C][C][=N][N][=C][S][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][N][Ring1][S][Ring1][=N] | Cc1nnc2sc4nn12.c15ccccc1Cl.C45 |
24151 | Cc1nnc2sc(Cc3c(F)cccc3Cl)nn12 | [C][C][=N][N][=C][S][C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][=N][N][Ring1][P][Ring1][=C] | Cc1nnc2sc4nn12.c15c(F)cccc1Cl.C45 |
24152 | Cc1nnc2sc(COc3ccc(Cl)cc3)nn12 | [C][C][=N][N][=C][S][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][P][Ring1][=C] | Cc1nnc2sc6nn12.c15ccc(Cl)cc1.C46.O45 |
24154 | Cc1ccccc1OCc1nn2c(C)nnc2s1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c15nn2c(C)nnc2s1.Cc1ccccc14.O34.C35 |
24155 | Cc1nnc2sc(C(C)(C)Oc3ccc(Cl)cc3)nn12 | [C][C][=N][N][=C][S][C][Branch2][Ring1][Ring2][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring2][Ring1][Ring1][Ring1][S] | Cc1nnc2sc6nn12.c15ccc(Cl)cc1.C46(C)C.O45 |
24156 | Cc1nc(Oc2ccccc2)cc(-n2nc(C)c(C#N)c2N)n1 | [C][C][=N][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][S][N][N][=C][Branch1][C][C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][N][=N][Ring2][Ring1][=Branch1] | n15nc(C)c(C#N)c1N.Cc1nc3cc5n1.c14ccccc1.O34 |
24157 | CCc1nn(-c2cc(Oc3ccccc3)nc(C)n2)c(N)c1C#N | [C][C][C][=N][N][Branch2][Ring1][#Branch1][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][C][C][=N][Ring1][=C][C][Branch1][C][N][=C][Ring2][Ring1][Ring2][C][#N] | c16nn7c(N)c1C#N.c17cc4nc(C)n1.c15ccccc1.CC6.O45 |
24158 | CSc1nn(-c2cc(Oc3ccccc3)nc(C)n2)c(N)c1C#N | [C][S][C][=N][N][Branch2][Ring1][#Branch1][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][C][C][=N][Ring1][=C][C][Branch1][C][N][=C][Ring2][Ring1][Ring2][C][#N] | c17nn6c(N)c1C#N.c16cc4nc(C)n1.c15ccccc1.CS7.O45 |
24159 | Cc1nc(Oc2ccccc2)cc(-n2nc(C)c(C(N)=O)c2N)n1 | [C][C][=N][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch2][Ring1][Ring1][N][N][=C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][N][=N][Ring2][Ring1][#Branch1] | Cc1nc3cc6n1.n16nc(C)c5c1N.c14ccccc1.C5(N)=O.O34 |
24160 | CCc1nn(-c2cc(Oc3ccccc3)nc(C)n2)c(N)c1C(N)=O | [C][C][C][=N][N][Branch2][Ring1][#Branch1][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][C][C][=N][Ring1][=C][C][Branch1][C][N][=C][Ring2][Ring1][Ring2][C][Branch1][C][N][=O] | c17nn8c(N)c16.c18cc4nc(C)n1.c15ccccc1.C6(N)=O.CC7.O45 |
24161 | COC(=O)c1cnn(-c2cc(Oc3ccccc3)nc(C)n2)c1N | [C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][#Branch1][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][C][C][=N][Ring1][=C][C][=Ring2][Ring1][Ring1][N] | c18cc5nc(C)n1.c17cnn8c1N.c16ccccc1.C47=O.CO4.O56 |
24162 | COC(=O)c1cnn(-c2cc(Oc3ccccc3)nc(C)n2)c1C | [C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][#Branch1][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][C][C][=N][Ring1][=C][C][=Ring2][Ring1][Ring1][C] | c18cc5nc(C)n1.c17cnn8c1C.c16ccccc1.C47=O.CO4.O56 |
24163 | CCc1nnc2sc(Cc3c(F)cccc3Cl)nn12 | [C][C][C][=N][N][=C][S][C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][=N][N][Ring1][P][Ring1][=C] | c14nnc2sc5nn12.c16c(F)cccc1Cl.CC4.C56 |
24164 | O=C(Nc1ccccc1F)c1onc2c1CCCC2 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][O][N][=C][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c15onc2c1CCCC2.c14ccccc1F.O=C35.N34 |
24165 | Cc1ccccc1NC(=O)c1onc2c1CCCC2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][N][=C][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c15onc2c1CCCC2.Cc1ccccc14.C35=O.N34 |
24166 | FC(F)(F)c1nnc2sc(C3CCCCC3)nn12 | [F][C][Branch1][C][F][Branch1][C][F][C][=N][N][=C][S][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O] | c14nnc2sc5nn12.C15CCCCC1.FC4(F)F |
24167 | CCn1nc(C)cc1-c1nnc2sc(C3CCCCC3)nn12 | [C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][N][=C][S][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O] | c15nnc2sc6nn12.n14nc(C)cc15.C16CCCCC1.CC4 |
24168 | CC(C)c1nn2c(COc3ccccc3)nnc2s1 | [C][C][Branch1][C][C][C][=N][N][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][S][Ring1][S] | c16nn2c7nnc2s1.c15ccccc1.CC6C.C47.O45 |
24169 | CCOC(=O)c1cnn(-c2cc(OC)nc(-c3ccccc3)n2)c1C | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][#Branch1][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=C][C][=Ring2][Ring1][Ring1][C] | c18cc6nc9n1.c17cnn8c1C.c19ccccc1.C47=O.CC5.O45.O6C |
24171 | Cc1ccccc1Oc1cc(-n2ncc(C#N)c2N)ncn1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][=N][N][N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch1][N][=N][C][=N][Ring1][=C] | n15ncc(C#N)c1N.Cc1ccccc14.c13cc5ncn1.O34 |
24172 | Cc1ccccc1Oc1cc(-n2nc(C)c(C#N)c2N)ncn1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][S][N][N][=C][Branch1][C][C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][N][=N][C][=N][Ring1][#C] | n15nc(C)c(C#N)c1N.Cc1ccccc14.c13cc5ncn1.O34 |
24173 | CCc1nn(-c2cc(Oc3ccccc3C)ncn2)c(N)c1C#N | [C][C][C][=N][N][Branch2][Ring1][Branch1][C][=C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][Ring1][=C][C][Branch1][C][N][=C][Ring2][Ring1][Ring2][C][#N] | c16nn7c(N)c1C#N.c17cc4ncn1.c15ccccc1C.CC6.O45 |
24174 | CSc1nn(-c2cc(Oc3ccccc3C)ncn2)c(N)c1C#N | [C][S][C][=N][N][Branch2][Ring1][Branch1][C][=C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][Ring1][=C][C][Branch1][C][N][=C][Ring2][Ring1][Ring2][C][#N] | c17nn6c(N)c1C#N.c16cc4ncn1.c15ccccc1C.CS7.O45 |
24175 | COC(=O)c1cnn(-c2cc(Oc3ccccc3C)ncn2)c1N | [C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][Branch1][C][=C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][Ring1][=C][C][=Ring2][Ring1][Ring1][N] | c17cnn8c1N.c18cc5ncn1.c16ccccc1C.C47=O.CO4.O56 |
24176 | CCOC(=O)c1cnn(-c2cc(Oc3ccccc3C)ncn2)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][Branch1][C][=C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][Ring1][=C][C][=Ring2][Ring1][Ring1][N] | c18cnn9c1N.c19cc6ncn1.c17ccccc1C.C48=O.CC5.O45.O67 |
24177 | COC(=O)c1cnn(-c2cc(Oc3ccccc3C)ncn2)c1C | [C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][Branch1][C][=C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][Ring1][=C][C][=Ring2][Ring1][Ring1][C] | c17cnn8c1C.c18cc5ncn1.c16ccccc1C.C47=O.CO4.O56 |
24178 | CCOC(=O)c1cnn(-c2cc(Oc3ccccc3C)ncn2)c1C | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][Branch1][C][=C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][Ring1][=C][C][=Ring2][Ring1][Ring1][C] | c18cnn9c1C.c19cc6ncn1.c17ccccc1C.C48=O.CC5.O45.O67 |
24179 | CCc1nn(-c2cc(Oc3ccccc3C)ncn2)c(N)c1C(N)=O | [C][C][C][=N][N][Branch2][Ring1][Branch1][C][=C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][Ring1][=C][C][Branch1][C][N][=C][Ring2][Ring1][Ring2][C][Branch1][C][N][=O] | c17nn8c(N)c16.c18cc4ncn1.c15ccccc1C.C6(N)=O.CC7.O45 |
24180 | CC(=O)c1cnn(-c2cc(Oc3ccccc3C)ncn2)c1C | [C][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][Branch1][C][=C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][Ring1][=C][C][=Ring2][Ring1][Ring1][C] | c16cnn7c1C.c17cc4ncn1.c15ccccc1C.CC6=O.O45 |
24181 | Cc1ccccc1Oc1cc(-n2ncc3c2CCCC3=O)ncn1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][#C][N][N][=C][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][=O][=N][C][=N][Ring1][S] | n16ncc2c1CCCC2=O.Cc1ccccc15.c14cc6ncn1.O45 |
24182 | CC(=O)c1cnn(-c2cc(Oc3cccc(C)c3)ncn2)c1C | [C][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][#Branch1][C][=C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C][C][=Ring2][Ring1][Ring1][C] | c16cnn7c1C.c17cc4ncn1.c15cccc(C)c1.CC6=O.O45 |
24183 | COc1cc(OC)nc(-n2ncc(C(C)=O)c2C)n1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch1][S][N][N][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][Branch2][C][=N][Ring1][P] | c13cc4nc6n1.n16ncc5c1C.C5(C)=O.CO3.O4C |
24184 | CCc1nn2c(-c3cccc(C(F)(F)F)c3)nnc2s1 | [C][C][C][=N][N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][N][=C][Ring1][#C][S][Ring2][Ring1][C] | c14nn2c6nnc2s1.c16cccc5c1.C5(F)(F)F.CC4 |
24185 | Cc1nn2c(-c3cccc(C(F)(F)F)c3)nnc2s1 | [C][C][=N][N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][N][=C][Ring1][#C][S][Ring2][Ring1][C] | Cc1nn2c5nnc2s1.c15cccc4c1.C4(F)(F)F |
24186 | COCc1nn2c(-c3cccc(C(F)(F)F)c3)nnc2s1 | [C][O][C][C][=N][N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][N][=C][Ring1][#C][S][Ring2][Ring1][C] | c15nn2c7nnc2s1.c17cccc6c1.C6(F)(F)F.CO4.C45 |
24187 | COC(=O)c1cnn(-c2nc3c(C)cccc3s2)c1N | [C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][P][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=Ring1][#C][N] | c16nc2c(C)cccc2s1.c15cnn6c1N.C45=O.CO4 |
24188 | CCOC(=O)c1cnn(-c2nc3c(C)cccc3s2)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][P][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=Ring1][#C][N] | c17nc2c(C)cccc2s1.c16cnn7c1N.C46=O.CC5.O45 |
24189 | COC(=O)c1cnn(-c2nc3c(C)cccc3s2)c1C | [C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][P][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=Ring1][#C][C] | c16nc2c(C)cccc2s1.c15cnn6c1C.C45=O.CO4 |
24190 | Cc1cccc2sc(-n3ncc(C#N)c3N)nc12 | [C][C][=C][C][=C][C][S][C][Branch1][=N][N][N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch1][N][=N][C][Ring1][P][=Ring1][=N] | Cc1cccc2sc4nc12.n14ncc(C#N)c1N |
24191 | CCc1nn(-c2nc3c(C)cccc3s2)c(N)c1C#N | [C][C][C][=N][N][Branch1][P][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][Branch1][C][N][=C][Ring1][S][C][#N] | c15nc2c(C)cccc2s1.c14nn5c(N)c1C#N.CC4 |
24192 | CSc1nn(-c2nc3c(C)cccc3s2)c(N)c1C#N | [C][S][C][=N][N][Branch1][P][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][Branch1][C][N][=C][Ring1][S][C][#N] | c14nc2c(C)cccc2s1.c15nn4c(N)c1C#N.CS5 |
24193 | Cc1nn2c(COc3ccc(F)cc3)nnc2s1 | [C][C][=N][N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][S][Ring1][P] | Cc1nn2c6nnc2s1.c15ccc(F)cc1.C46.O45 |
24194 | CCc1nn2c(COc3ccc(F)cc3)nnc2s1 | [C][C][C][=N][N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][S][Ring1][P] | c16nn2c7nnc2s1.c15ccc(F)cc1.CC6.C47.O45 |
24195 | COCc1nn2c(COc3ccc(F)cc3)nnc2s1 | [C][O][C][C][=N][N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][S][Ring1][P] | c17nn2c8nnc2s1.c16ccc(F)cc1.CO4.C47.C58.O56 |
24196 | CC(C)c1nn2c(COc3ccc(F)cc3)nnc2s1 | [C][C][Branch1][C][C][C][=N][N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][S][Ring1][P] | c16nn2c7nnc2s1.c15ccc(F)cc1.CC6C.C47.O45 |
24197 | Cc1cc(C)cc(-c2nnc3sc(C4CC4)nn23)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][C][=N][N][=C][S][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Ring1][O][Ring1][Branch2][=C][Ring2][Ring1][C] | c16nnc2sc5nn12.Cc1cc6cc(C)c1.C15CC1 |
24198 | FC(F)(F)c1cccc(-c2nnc3sc(C4CC4)nn23)c1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=N][N][=C][S][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Ring1][O][Ring1][Branch2][=C][Ring1][P] | c17nnc2sc6nn12.c15cccc7c1.FC5(F)F.C16CC1 |
24200 | Cc1nn2c(-c3ccc(C(F)(F)F)cc3)nnc2s1 | [C][C][=N][N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][N][=C][Ring1][#C][S][Ring2][Ring1][C] | Cc1nn2c5nnc2s1.c15ccc4cc1.C4(F)(F)F |
24201 | CCc1nn2c(-c3ccc(C(F)(F)F)cc3)nnc2s1 | [C][C][C][=N][N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][N][=C][Ring1][#C][S][Ring2][Ring1][C] | c14nn2c6nnc2s1.c16ccc5cc1.C5(F)(F)F.CC4 |
24202 | COCc1nn2c(-c3ccc(C(F)(F)F)cc3)nnc2s1 | [C][O][C][C][=N][N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][N][=C][Ring1][#C][S][Ring2][Ring1][C] | c15nn2c7nnc2s1.c17ccc6cc1.C6(F)(F)F.CO4.C45 |
24203 | Cc1oncc1-c1nn2c(Cc3ccccc3)nnc2s1 | [C][C][O][N][=C][C][=Ring1][Branch1][C][=N][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][N][S][Ring1][#C] | c16nn2c4nnc2s1.Cc1oncc16.c15ccccc1.C45 |
24206 | Fc1ccc(Cc2nnc3sc(-c4ccco4)nn23)cc1 | [F][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=N][N][=C][S][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c15nnc2sc7nn12.Fc1ccc6cc1.c17ccco1.C56 |
24207 | CCCc1nn2c(-c3ccc(F)cc3)nnc2s1 | [C][C][C][C][=N][N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][N][S][Ring1][#C] | c14nn2c5nnc2s1.c15ccc(F)cc1.CCC4 |
24208 | Cc1nnc2sc(COc3ccc(F)cc3)nn12 | [C][C][=N][N][=C][S][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][Ring1][P][Ring1][=C] | Cc1nnc2sc6nn12.c15ccc(F)cc1.C46.O45 |
24209 | COC(=O)c1c(SC)nn(-c2nc3c(C)cccc3s2)c1N | [C][O][C][=Branch1][C][=O][C][C][Branch1][Ring1][S][C][=N][N][Branch1][P][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=Ring1][P][N] | c16nc2c(C)cccc2s1.c15c7nn6c1N.C45=O.CO4.S7C |
24210 | Cc1c(C(=O)Nc2cc(F)cc(F)c2)cnn1-c1ccccc1 | [C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=N][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cc(F)cc(F)c1.Cc1c5cnn16.c16ccccc1.C35=O.N34 |
24211 | Cc1c(C(=O)Nc2cccc(Cl)c2)cnn1-c1ccccc1 | [C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1c5cnn16.c14cccc(Cl)c1.c16ccccc1.C35=O.N34 |
24212 | Cc1cccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][Ring2][Ring1][=Branch1] | Cc1cccc5c1.c16cnn7c1C.c17ccccc1.N45C.C46=O |
24213 | COc1ccc(OC(=O)c2cnn(-c3ccccc3)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][C][=C][Ring2][Ring1][Branch1] | c15ccc6cc1.c17cnn8c1C.c18ccccc1.C47=O.CO5.O46 |
24214 | COC(=O)c1c(C)nn(-c2cc(Oc3ccccc3)ncn2)c1N | [C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch2][Ring1][Ring2][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][=N][C][=Ring2][Ring1][Ring1][N] | c17c(C)nn8c1N.c18cc5ncn1.c16ccccc1.C47=O.CO4.O56 |
24217 | Cc1oncc1C(=O)NC(C)c1ccc(Cl)cc1 | [C][C][O][N][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.Cc1oncc14.C24=O.C35C.N23 |
24218 | COc1ccc(N(C)C(=O)c2onc3c2CCCC3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][O][N][=C][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c17onc2c1CCCC2.c15ccc6cc1.N46C.C47=O.CO5 |
24219 | CCOc1cc(-n2ncc(C(C)=O)c2C)nc(-c2ccccc2)n1 | [C][C][O][C][=C][C][Branch1][S][N][N][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][Branch2][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | c14cc6nc7n1.n16ncc5c1C.c17ccccc1.C5(C)=O.CC3.O34 |
24220 | O=C(Cc1noc2ccccc12)Nc1cccc(F)c1 | [O][=C][Branch1][#C][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15noc2ccccc12.c14cccc(F)c1.O=C3C5.N34 |
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