ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
11074 | CC(C)(C)n1nc(C2CC2)cc1NC(=O)c1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16nc7cc14.c15ccccc1.CC6(C)C.C17CC1.C35=O.N34 |
11075 | CC(C)(C)n1nc(C2CC2)cc1NC(=O)Nc1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | n17nc8cc15.c16ccccc1.CC7(C)C.C18CC1.C34=O.N35.N46 |
11076 | COc1cccc(-c2cc3nc(C)cc(C)n3n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][C][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O][=C][Ring1][P] | c15cc2nc(C)cc(C)n2n1.c14cccc5c1.CO4 |
11077 | OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CC1 | [O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1] | c13ccc(F)cc1.c14ccc(F)cc1.OC234.C12CC1 |
11078 | Cc1ccc(C)n1N(C)c1ccc(C(F)(F)F)cn1 | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][N][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2] | Cc1ccc(C)n1N(C)c1ccc2cn1.C2(F)(F)F |
11079 | COC(=O)CCc1cc(OC)c(OC)c(OC)c1 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N] | c16cc3c4c5c1.C2(=O)CC6.CO2.O3C.O4C.O5C |
11080 | N#Cc1cc(Br)cc(Br)c1N | [N][#C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][N] | N#Cc1cc(Br)cc(Br)c1N |
11081 | Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F | [N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][O][C][C][Branch1][C][F][Branch1][C][F][F] | Nc1cc4ccc13.C2C(F)(F)F.C4(F)(F)F.O23 |
11082 | Oc1c(Br)cc(-c2nnco2)cc1Br | [O][C][=C][Branch1][C][Br][C][=C][Branch1][Branch2][C][=N][N][=C][O][Ring1][Branch1][C][=C][Ring1][N][Br] | Oc1c(Br)cc3cc1Br.c13nnco1 |
11083 | CCOC(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][N][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Ring1][Branch2][=O][C][=C][Ring1][#C] | n16ncc(Cl)c(Cl)c1=O.c15ccc6cc1.C35=O.CC4.O34 |
11084 | CCOC(=O)C1=C(Nc2ccc(F)cc2)C(=O)N(CC)C1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][Ring1][S] | C3(=O)C1=C(N5)C(=O)N6C1.c15ccc(F)cc1.CC4.O34.C6C |
11085 | O=c1c(Cl)c(Cl)cnn1-c1cnc2ccccc2n1 | [O][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=N][N][Ring1][Branch2][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c13cnc2ccccc2n1.O=c1c(Cl)c(Cl)cnn13 |
11086 | CCOC(=O)c1cc(C)n(Cc2cccs2)c1C | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=Ring1][N][C] | c15cc(C)n6c1C.c17cccs1.C35=O.CC4.O34.C67 |
11087 | CCOC(=O)c1[nH]c(C)c(C(C)=O)c1-c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14[nH]c(C)c5c16.c16ccccc1.C24=O.C5(C)=O.CC3.O23 |
11088 | N#Cc1cccc(CS(=O)(=O)c2ccc(Cl)cc2)c1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][P] | C3S(=O)(=O)c1ccc(Cl)cc1.N#Cc1cccc3c1 |
11089 | O=S(=O)(Cc1noc(C2CCC2)n1)c1ccc(F)cc1 | [O][=S][=Branch1][C][=O][Branch1][P][C][C][=N][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][=N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=S(=O)(C3)c1ccc(F)cc1.c13noc4n1.C14CCC1 |
11091 | Cc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N)n1 | [C][C][=N][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][N][=N][Ring1][P] | Cc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N)n1 |
11092 | Nc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N)n1 | [N][C][=N][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][N][=N][Ring1][P] | Nc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N)n1 |
11094 | Cc1nnc(SCc2ccc(Cl)cc2)n(N)c1=O | [C][C][=N][N][=C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][C][N][C][Ring1][S][=O] | Cc1nnc5n(N)c1=O.c14ccc(Cl)cc1.S35.C34 |
11095 | CSc1nc2cc(C)nn2c(-c2ccccc2)c1C#N | [C][S][C][=N][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][#N] | c13nc2cc(C)nn2c4c1C#N.c14ccccc1.CS3 |
11096 | O=C(CSc1ccccc1)NCc1cccs1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][S][Ring1][Branch1] | c16ccccc1.c15cccs1.O=C2C4.S46.N23.C35 |
11098 | COC(=O)C(CC(C)C)NS(=O)(=O)c1ccc(C)cc1 | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(C)cc1.C2(=O)C3CC(C)C.CO2.N34 |
11099 | Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc2[nH]ncc2c1 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2] | c14ccc2[nH]ncc2c1.Cc1nn6nc15.c16ccccc1.C35=O.N34 |
11100 | Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c16c[nH]c2ccccc12.Nc1ccccc15.C35=O.C4C6.N34 |
11101 | COC(=O)c1ccc(C)c(NC(=O)c2ccncc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][S] | c16ccc(C)c5c1.c17ccncc1.C36=O.C47=O.CO3.N45 |
11102 | COC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | c14cn5c(=O)c2ccccc12.c15ccc(Cl)cc1.C34=O.CO3 |
11103 | COC(=O)c1cn(Cc2cccnc2)c(=O)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | c14cn5c(=O)c2ccccc12.c16cccnc1.C34=O.CO3.C56 |
11104 | N#Cc1c(F)cccc1C(C#N)c1ccc(F)cc1 | [N][#C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | N#Cc1c2cccc1F.c13ccc(F)cc1.C23C#N |
11105 | CCOC(=O)c1cnc2c(F)cc(F)cc2c1N1CCOCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][C][Ring1][Branch2][=C][Ring1][N][N][C][C][O][C][C][Ring1][=Branch1] | c16cnc2c(F)cc(F)cc2c15.N15CCOCC1.C36=O.CC4.O34 |
11111 | O=S(=O)(NC1CC1)c1ccc(Cl)c(Cl)c1 | [O][=S][=Branch1][C][=O][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | O=S2(=O)c1ccc(Cl)c(Cl)c1.C13CC1.N23 |
11112 | Cn1sc(=O)c2cc(S(=O)(=O)NC3CC3)ccc21 | [C][N][S][C][=Branch1][C][=O][C][=C][C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][=N][Ring1][P] | Cn1sc(=O)c2cc(S4(=O)=O)ccc21.C15CC1.N45 |
11113 | COc1cc2c(cc1OC)C(C)N(S(C)(=O)=O)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#C] | c13cc2c(cc14)C(C)N5CC2.S5(C)(=O)=O.CO3.O4C |
11114 | O=S(=O)(c1cccs1)N1CCc2ccccc21 | [O][=S][=Branch1][C][=O][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2ccccc21.O=S3(=O)c1cccs1 |
11115 | CC12COC3(C(=O)NCCc4ccccc4)CC1CCC32C | [C][C][C][O][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P][C][C][C][Ring1][P][Ring2][Ring1][Ring2][C] | CC12COC37CC1CCC32C.c18ccccc1.C57=O.C6C8.N56 |
11116 | CCN(CC)C(=O)C12CC3CCC1(C)C3(C)CO2 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][C][O][Ring1][O] | C127CC3CCC1(C)C3(C)CO2.N456.C47=O.CC5.C6C |
11117 | CC12COC3(C(=O)Nc4ccccc4)CC1CCC32C | [C][C][C][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][C][C][Ring1][#C][Ring2][Ring1][C][C] | CC12COC37CC1CCC32C.c16ccccc1.C57=O.N56 |
11118 | COc1cc(C(=O)c2ccccc2C#N)cc(OC)c1OC | [C][O][C][=C][C][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | c13cc6cc4c15.c17ccccc1C#N.C67=O.CO3.O4C.O5C |
11119 | CC12COC3(C(=O)Nc4ccc(F)cc4)CC1CCC32C | [C][C][C][O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S][C][C][C][Ring1][S][Ring2][Ring1][Ring1][C] | CC12COC37CC1CCC32C.c16ccc(F)cc1.C57=O.N56 |
11120 | COC(=O)c1ccc(NC(=O)C23CC4CCC2(C)C4(C)CO3)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][C][O][Ring1][O][C][=C][Ring2][Ring1][Ring2] | C128CC3CCC1(C)C3(C)CO2.c19ccc7cc1.C59=O.C68=O.CO5.N67 |
11121 | CC12COC3(C(=O)Nc4ccc(Cl)cn4)CC1CCC32C | [C][C][C][O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][C][Ring1][S][C][C][C][Ring1][S][Ring2][Ring1][Ring1][C] | CC12COC37CC1CCC32C.c16ccc(Cl)cn1.C57=O.N56 |
11123 | CC12CCC(C(=O)Nc3ccc(Cl)cc3)(OC1=O)C2(C)C | [C][C][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Branch1][=Branch1][O][C][Ring1][S][=O][C][Ring2][Ring1][C][Branch1][C][C][C] | CC12CCC6(OC1=O)C2(C)C.c15ccc(Cl)cc1.C46=O.N45 |
11124 | CC12CCC(C(=O)N3CCCCC3)(OC1=O)C2(C)C | [C][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch1][O][C][Ring1][=C][=O][C][Ring1][S][Branch1][C][C][C] | CC12CCC5(OC1=O)C2(C)C.N14CCCCC1.C45=O |
11125 | CC12CCC(C(=O)N3CCCC3)(OC1=O)C2(C)C | [C][C][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][Branch1][=Branch1][O][C][Ring1][=N][=O][C][Ring1][#C][Branch1][C][C][C] | CC12CCC5(OC1=O)C2(C)C.N14CCCC1.C45=O |
11126 | CC12CCC(C(=O)N3CCCCCC3)(OC1=O)C2(C)C | [C][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][Branch1][=Branch1][O][C][Ring1][#C][=O][C][Ring1][P][Branch1][C][C][C] | CC12CCC5(OC1=O)C2(C)C.N14CCCCCC1.C45=O |
11127 | Nc1ccc(Br)cc1OC(F)(F)F | [N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][C][Branch1][C][F][Branch1][C][F][F] | Nc1ccc(Br)cc12.O2C(F)(F)F |
11128 | O=C(CSc1ncccn1)Nc1ccc(Br)cc1 | [O][=C][Branch1][O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.c15ncccn1.O=C2C3.S35.N24 |
11129 | CCN(CC)C(=O)C12CCC(C)(C(=O)C1)C2(C)C | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C] | C126CCC(C)(C(=O)C1)C2(C)C.N345.C36=O.CC4.C5C |
11130 | CC12CCC(C(=O)N3CCCCC3)(CC1=O)C2(C)C | [C][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch1][C][C][Ring1][=C][=O][C][Ring1][S][Branch1][C][C][C] | CC12CCC5(CC1=O)C2(C)C.N14CCCCC1.C45=O |
11131 | CC12CCC(C(=O)N3CCOCC3)(CC1=O)C2(C)C | [C][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][Branch1][=Branch1][C][C][Ring1][=C][=O][C][Ring1][S][Branch1][C][C][C] | CC12CCC5(CC1=O)C2(C)C.N14CCOCC1.C45=O |
11132 | CC12CCC(C(=O)N3CCc4ccccc4C3)(CC1=O)C2(C)C | [C][C][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][Branch1][#Branch1][C][C][Ring2][Ring1][C][=O][C][Ring2][Ring1][Ring2][Branch1][C][C][C] | CC12CCC6(CC1=O)C2(C)C.N15CCc2ccccc2C1.C56=O |
11133 | Nc1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1 | [N][C][=N][C][Branch2][Ring1][Branch1][S][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][NH1][Ring1][P] | c14cccc5c1.Nc1nc6n[nH]1.C5(F)(F)F.S36.C34 |
11134 | Oc1ccc(O)c(Cc2nc3ccccc3s2)c1 | [O][C][=C][C][=C][Branch1][C][O][C][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring1][P] | c14nc2ccccc2s1.Oc1ccc(O)c5c1.C45 |
11135 | CC(=O)Nc1cc(=O)oc2ccc(NC(=O)c3ccc(F)cc3)cc12 | [C][C][=Branch1][C][=O][N][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][Ring1][S] | c16cc(=O)oc2ccc7cc12.c18ccc(F)cc1.CC4=O.C58=O.N46.N57 |
11137 | Nc1ccccc1C(=O)NCCc1ccc(Cl)cc1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Nc1ccccc14.c15ccc(Cl)cc1.C24=O.C3C5.N23 |
11138 | COC(=O)c1cc(Br)c(N)cc1OC | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][Branch1][C][N][C][=C][Ring1][Branch2][O][C] | c14cc(Br)c(N)cc13.C24=O.CO2.O3C |
11139 | CCOC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][C][Cl][C][Ring1][O][=N][Ring1][=C] | c15cn2cc6cc(Cl)c2n1.C6(F)(F)F.C35=O.CC4.O34 |
11140 | COC(=O)c1cc(C(=O)Cc2ccc(Cl)cc2)c[nH]1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][NH1][Ring1][#C] | c16ccc(Cl)cc1.c14cc5c[nH]1.C5(=O)C6.C34=O.CO3 |
11141 | CC(=O)Nc1cc2cc(-n3cccc3)ccc2oc1=O | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][=C][C][=C][Ring1][O][O][C][Ring1][#C][=O] | c15cc2cc6ccc2oc1=O.n16cccc1.CC4=O.N45 |
11142 | COC(=O)c1cc(=O)n2c(nc3cc(C(F)(F)F)ccc32)s1 | [C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][C][=Branch2][Ring1][=Branch1][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Ring1][=N][S][Ring2][Ring1][C] | c15cc(=O)n2c(nc3cc6ccc32)s1.C6(F)(F)F.C45=O.CO4 |
11143 | CCOC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][=Branch2][C][Branch1][C][F][Branch1][C][F][F] | c14cnn5c16.C5(C)(C)C.C6(F)(F)F.C24=O.CC3.O23 |
11144 | Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][C] | Cc1ccc(S3(=O)=O)cc1.c14ccc(F)cc1F.N34 |
11145 | COC(=O)Cc1c(C(=O)OC)nnn1-c1ccc(Cl)cc1 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][=N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15c4nnn16.c16ccc(Cl)cc1.C2(=O)C5.C34=O.CO2.O3C |
11146 | COC(=O)Cc1c(C(=O)OC)nnn1-c1ccc(Cl)cc1Cl | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][=N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c16ccc(Cl)cc1Cl.c15c4nnn16.C2(=O)C5.C34=O.CO2.O3C |
11147 | COC(=O)Cc1c(C(=O)OC)nnn1-c1ccc(OC)cc1 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][=N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c16c5nnn17.c17ccc4cc1.C2(=O)C6.C35=O.CO2.O3C.O4C |
11148 | COC(=O)Cc1c(C(=O)OC)nnn1-c1cccc(C(F)(F)F)c1 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][=N][N][Ring1][=Branch2][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | c15c4nnn17.c17cccc6c1.C2(=O)C5.C6(F)(F)F.C34=O.CO2.O3C |
11149 | CCOC(=O)c1c(-c2sccc2Cl)c[nH]c1N | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][S][C][=C][C][=Ring1][Branch1][Cl][=C][NH1][C][=Ring1][O][N] | c15c6c[nH]c1N.c16sccc1Cl.C35=O.CC4.O34 |
11150 | Cc1c(Br)cc(C(=O)N2CCCC2)c(C)c1C | [C][C][=C][Branch1][C][Br][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][#C][C] | Cc1c(Br)cc4c(C)c1C.N13CCCC1.C34=O |
11151 | CC(Oc1cccc(C(F)(F)F)c1)c1ccnc2nc(N)nn12 | [C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][=N][C][=N][C][Branch1][C][N][=N][N][Ring1][#Branch2][Ring1][=Branch1] | c15ccnc2nc(N)nn12.c14cccc6c1.C6(F)(F)F.CC35.O34 |
11152 | COc1ccc(Sc2ccc(N)cc2C#N)cc1 | [C][O][C][=C][C][=C][Branch1][#C][S][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][#N][C][=C][Ring1][S] | c15ccc(N)cc1C#N.c13ccc4cc1.CO3.S45 |
11153 | CC(C)(C)n1nc(-c2ccc(F)cc2)c(C#N)c1N | [C][C][Branch1][C][C][Branch1][C][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][Ring1][C][#N][=C][Ring1][=C][N] | n13nc4c(C#N)c1N.c14ccc(F)cc1.CC3(C)C |
11154 | CCOC(=O)c1cn2ccccc2c1C(=O)OCC | [C][C][O][C][=Branch1][C][=O][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C] | c17cn2ccccc2c18.C37=O.C48=O.CC5.O35.O46.C6C |
11155 | O=C(Nc1nnc(C2CC2)s1)c1cccnc1Oc1ccccc1 | [O][=C][Branch1][S][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17cccnc14.c16nnc8s1.c15ccccc1.O=C37.C18CC1.N36.O45 |
11156 | COC(=O)c1c(-c2ccccc2Cl)noc1C | [C][O][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][O][C][=Ring1][N][C] | c14c5noc1C.c15ccccc1Cl.C34=O.CO3 |
11157 | COC(=O)c1nn(-c2ccccc2)c(=O)cc1Cl | [C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][=N][Cl] | c14nn5c(=O)cc1Cl.c15ccccc1.C34=O.CO3 |
11159 | CC(Oc1ccccc1)c1ccnc2nc(N)nn12 | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=N][C][Branch1][C][N][=N][N][Ring1][#Branch2][Ring1][=Branch1] | c15ccnc2nc(N)nn12.c14ccccc1.CC35.O34 |
11160 | Cc1ccc(OC(C)c2ccnc3nc(N)nn23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][Branch1][C][C][C][=C][C][=N][C][=N][C][Branch1][C][N][=N][N][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c16ccnc2nc(N)nn12.Cc1ccc5cc1.C46C.O45 |
11161 | CC(O)C(=O)NS(=O)(=O)c1ccc(Br)cc1 | [C][C][Branch1][C][O][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(Br)cc1.CC(O)C2=O.N23 |
11162 | CC(Oc1c(Cl)cccc1Cl)c1ccnc2nc(N)nn12 | [C][C][Branch1][=C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][C][=N][C][=N][C][Branch1][C][N][=N][N][Ring1][#Branch2][Ring1][=Branch1] | c15ccnc2nc(N)nn12.c14c(Cl)cccc1Cl.CC35.O34 |
11163 | CC(Oc1cccc(Cl)c1)c1ccnc2nc(N)nn12 | [C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=N][C][=N][C][Branch1][C][N][=N][N][Ring1][#Branch2][Ring1][=Branch1] | c15ccnc2nc(N)nn12.c14cccc(Cl)c1.CC35.O34 |
11164 | COc1ccc(-n2ncc(N(C)CCO)c(Cl)c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=C][C][Branch1][Branch2][N][Branch1][C][C][C][C][O][=C][Branch1][C][Cl][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1] | n16ncc5c(Cl)c1=O.c13ccc6cc1.N45C.C4CO.CO3 |
11166 | CCOC(=O)Cc1ncccc1C(=O)Nc1ccc(F)cc1 | [C][C][O][C][=Branch1][C][=O][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17ncccc16.c15ccc(F)cc1.C2(=O)C7.C36=O.CC4.O24.N35 |
11167 | CCOC(=O)Cc1ncccc1C(=O)Nc1ccc(OC)cc1 | [C][C][O][C][=Branch1][C][=O][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c18ncccc17.c16ccc5cc1.C2(=O)C8.C37=O.CC4.O24.N36.O5C |
11168 | O=S(=O)(NCc1ccc(Br)cc1)c1ccc(F)cc1 | [O][=S][=Branch1][C][=O][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=S3(=O)c1ccc(F)cc1.c14ccc(Br)cc1.N23.C24 |
11170 | Cc1nn(Cc2cccc(C(N)=O)c2)c(C)c1Br | [C][C][=N][N][Branch1][P][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][C][Branch1][C][C][=C][Ring1][S][Br] | Cc1nn4c(C)c1Br.c15cccc3c1.C3(N)=O.C45 |
11171 | CCOC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | S6(=O)(=O)c1ccccc1.N14CCN6CC1.C34=O.CC5.O35 |
11172 | Cc1cc(C)cc(NC(=O)Cc2ccc(O)cc2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C] | Cc1cc4cc(C)c1.c15ccc(O)cc1.C3(=O)C5.N34 |
11173 | O=C(OCC(=O)c1cccs1)c1ccc(O)cc1 | [O][=C][Branch1][=C][O][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c15ccc(O)cc1.c14cccs1.C3C4=O.O=C25.O23 |
11174 | C[S+]([O-])c1ccc(Oc2cccc(F)c2C#N)cc1 | [C][S+1][Branch1][C][O-1][C][=C][C][=C][Branch1][#C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][#N][C][=C][Ring1][S] | C[S+]([O-])c1ccc3cc1.c14cccc(F)c1C#N.O34 |
11175 | COc1ccc(-c2cnc3nc(SC)nn3c2N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=N][C][=N][C][Branch1][Ring1][S][C][=N][N][Ring1][#Branch1][C][=Ring1][O][N][C][=C][Ring2][Ring1][C] | c16cnc2nc5nn2c1N.c14ccc6cc1.CO4.S5C |
11176 | CSc1nc2ncc(-c3ccc(F)cc3)c(N)n2n1 | [C][S][C][N][=C][N][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][C][N][N][Ring1][=C][N][=Ring1][P] | c14nc2ncc5c(N)n2n1.c15ccc(F)cc1.CS4 |
11177 | COC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)cc1Cl | [C][O][C][=Branch1][C][=O][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][Ring1][P][Cl] | c14nn6c(=O)cc1Cl.c16cccc5c1.C5(F)(F)F.C34=O.CO3 |
11178 | COC(=O)c1nn(-c2ccc(OC)cc2)c(=O)cc1Cl | [C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][Ring1][#C][Cl] | c15nn6c(=O)cc1Cl.c16ccc4cc1.C35=O.CO3.O4C |
11179 | CCOC(=O)C=C(N)N1CCN(c2ccccc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | C3(=O)C=C(N)N1CCN5CC1.c15ccccc1.CC4.O34 |
11180 | Cc1cc(NC(=O)C2COc3ccccc3O2)no1 | [C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=N][O][Ring2][Ring1][C] | C16COc2ccccc2O1.Cc1cc5no1.C46=O.N45 |
11181 | CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][C][=Ring1][#C][C] | c18ccc5c6c1.c17sc8nc1C.C37=O.CC4.O34.O5C.O6C |
11182 | CCOC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][Ring1][#C] | c18ccc5c6c1.c17csc8n1.C37=O.CC4.O34.O5C.O6C |
11183 | NC(=O)c1cc(C(=O)Cc2ccc(Cl)cc2)c[nH]1 | [N][C][=Branch1][C][=O][C][=C][C][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][NH1][Ring1][#C] | c15ccc(Cl)cc1.c13cc4c[nH]1.C4(=O)C5.NC3=O |
11184 | Cc1cc(Cl)ccc1OC(C)C(=O)NCc1ccncc1 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cc1cc(Cl)ccc14.c16ccncc1.C3(C)C2=O.O34.N25.C56 |
11185 | N#Cc1cn(Cc2ccc(Cl)cc2)c(=O)[nH]c1=O | [N][#C][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][C][Ring1][#C][=O] | N#Cc1cn3c(=O)[nH]c1=O.c14ccc(Cl)cc1.C34 |
11186 | Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][P] | Cc1ccc(S3(=O)=O)cc1.c14ccccc1F.N34 |
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