ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
3111 | O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccccc1 | [O][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C3CN1C(=O)C2(OCCO2)c2ccccc21.c13ccccc1 |
3112 | O=C1CC(O)(C(F)F)Oc2c1ccc1ccccc21 | [O][=C][C][C][Branch1][C][O][Branch1][=Branch1][C][Branch1][C][F][F][O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | O=C1CC3(O)Oc2c1ccc1ccccc21.C3(F)F |
3114 | COc1ccc2c(c1OC)C(=O)N(c1cccc(F)c1)C2 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][S] | c13ccc2c(c14)C(=O)N5C2.c15cccc(F)c1.CO3.O4C |
3115 | CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2O | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][C][Ring1][=Branch1][O] | c17c6sc2c1CCCC2O.c18ccccc1.C37=O.C48=O.CC5.O35.N46 |
3116 | COC(=O)c1c(C)[nH]c(C)c1-c1ccc(Cl)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13c(C)[nH]c(C)c14.c14ccc(Cl)cc1.C23=O.CO2 |
3118 | Nn1cnn2c(SCC(=O)Nc3ccc(Cl)cc3)nnc12 | [N][N][C][=N][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring2][Ring1][Ring2][Ring1][P] | Nn1cnn2c7nnc12.c16ccc(Cl)cc1.C5C4=O.S57.N46 |
3119 | CCN(CC)C(=O)CSc1nc2ccccc2n1C(=O)OC | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][O][C] | c18nc2ccccc2n1C3=O.C4(=O)C7.N456.CC5.C6C.S78.O3C |
3120 | O=C1CC(O)(C(F)(F)F)Oc2c1ccc1ccccc21 | [O][=C][C][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][=C][Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | O=C1CC3(O)Oc2c1ccc1ccccc21.C3(F)(F)F |
3121 | COC(=O)n1c(SCC(=O)N(C)C)nc2ccccc21 | [C][O][C][=Branch1][C][=O][N][C][Branch1][N][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | C3(=O)n1c6nc2ccccc21.C5C4=O.N4(C)C.CO3.S56 |
3122 | CCc1ccc(N2CC(C(=O)NCCC(C)C)CC2=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Ring2] | c16ccc7cc1.N17CC5CC1=O.C4CC(C)C.C35=O.CC6.N34 |
3123 | COc1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c18nc2ccccc2[nH]1.c15cccc7c1.C4(=O)C6.CO5.N47.S68 |
3124 | N#Cc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c17nc2ccccc2o1.N#Cc1ccc6cc1.C4(=O)C5.N46.S57 |
3125 | Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCc1cccnc1 | [C][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1[nH]c(=O)[nH]c(=O)c1S3(=O)=O.c14cccnc1.N23.C24 |
3126 | Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCC1CCCO1 | [C][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1] | Cc1[nH]c(=O)[nH]c(=O)c1S3(=O)=O.C14CCCO1.N23.C24 |
3129 | O=S(=O)(c1cccc(Cl)c1Cl)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][N][C][C][O][C][C][Ring1][=Branch1] | O=S2(=O)c1cccc(Cl)c1Cl.N12CCOCC1 |
3130 | Cc1ccc2ccc(S(=O)(=O)NCc3ccco3)cc2c1 | [C][C][=C][C][=C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2] | Cc1ccc2ccc(S5(=O)=O)cc2c1.c16ccco1.N45.C46 |
3134 | COc1ccc2c(c1OC)C(=O)OC2Nc1ccc(NC(C)=O)cc1 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c14ccc2c(c15)C(=O)OC2N6.c16ccc7cc1.C3(C)=O.CO4.O5C.N37 |
3135 | O=C(Nc1ccccn1)C1COc2ccccc2O1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14ccccn1.O=C35.N34 |
3136 | CCc1ccccc1NC1=NS(=O)(=O)c2ccccc21 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N3C1=NS(=O)(=O)c2ccccc21.c14ccccc13.CC4 |
3137 | COC(=O)COc1ccc(C2NC(=O)NC(C)=C2C(=O)OC)cc1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][C] | C17NC(=O)NC(C)=C1C4=O.c16ccc7cc1.C3(=O)C5.CO3.O56.O4C |
3139 | CCC1(C)OC(=O)N(Cc2cccnc2)C1(C)O | [C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=C][Branch1][C][C][O] | C14(C)OC(=O)N3C1(C)O.c15cccnc1.CC4.C35 |
3141 | Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCc1ccccn1 | [C][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1[nH]c(=O)[nH]c(=O)c1S3(=O)=O.c14ccccn1.N23.C24 |
3142 | Cc1c(Cl)cccc1NC1=NS(=O)(=O)c2ccccc21 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N3C1=NS(=O)(=O)c2ccccc21.Cc1c3cccc1Cl |
3143 | NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 | [N][C][=Branch1][C][=O][C][C][=C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][#C][N][=Ring2][Ring1][C] | c14cc2nc6cc5n2n1.c16cccs1.C5(F)(F)F.NC4=O |
3144 | COc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c15ccc8cc16.c17nnc9s1.C19CCCCC1.C48=O.CO5.N47.O6C |
3145 | COc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c15ccc8cc16.c17nnc9o1.c19ccccc1.C48=O.CO5.N47.O6C |
3146 | CCOC(=O)c1cc2cc(Br)ccc2oc1=O | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c15cc2cc(Br)ccc2oc1=O.C35=O.CC4.O34 |
3147 | CC(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 | [C][C][=Branch1][C][=O][N][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | c14c5oc2ccccc12.c16ccc(F)cc1.CC3=O.C56=O.N34 |
3150 | Cc1cccc(NC(=O)C2(N3CCC3=O)CCCCC2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][Branch2][N][C][C][C][Ring1][Ring2][=O][C][C][C][C][C][Ring1][O][=C][Ring2][Ring1][Ring2] | Cc1cccc5c1.C167CCCCC1.N17CCC1=O.C46=O.N45 |
3151 | Cc1cc(C)nc(SCC(=O)Nc2nccs2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=N][Ring1][P] | Cc1cc(C)nc6n1.c15nccs1.C4C3=O.S46.N35 |
3152 | Cc1cccc(NC(=O)C2CC(O)CN2C(=O)Oc2ccccc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch2] | Cc1cccc7c1.C18CC(O)CN15.c16ccccc1.C48=O.C35=O.N47.O36 |
3153 | N#Cc1ccc(-c2cccs2)nc1SCc1ccncc1 | [N][#C][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=C][Ring1][O][S][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | N#Cc1ccc6nc15.c14ccncc1.c16cccs1.S35.C34 |
3155 | CC(C)(C)OC(=O)NCCc1c[nH]c2ccccc12 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c17c[nH]c2ccccc12.CC5(C)C.C34=O.C6C7.O35.N46 |
3156 | COC(=O)c1c(C)[nH]c(C)c1-c1ccccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c13c(C)[nH]c(C)c14.c14ccccc1Cl.C23=O.CO2 |
3157 | CC1(C)Cc2c(sc3nc4n(c(=O)c23)CCCS4)CO1 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][#Branch1][S][C][N][=C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Ring1][#Branch2][=Ring1][#Branch1][C][C][C][S][Ring1][=Branch2][C][O][Ring2][Ring1][Ring1] | CC1(C)Cc2c(sc3nc4n(c(=O)c23)CCCS4)CO1 |
3158 | Cn1c2sc3c(c2c(=O)n2nnnc12)CC(C)(C)OC3 | [C][N][C][S][C][=C][Branch1][P][C][=Ring1][Branch1][C][=Branch1][C][=O][N][N][=N][N][=C][Ring1][=N][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][S] | Cn1c2sc3c(c2c(=O)n2nnnc12)CC(C)(C)OC3 |
3159 | Cc1nnc(SCc2nc3ccccc3[nH]2)s1 | [C][C][=N][N][=C][Branch1][S][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][S][Ring1][S] | c15nc2ccccc2[nH]1.Cc1nnc6s1.S46.C45 |
3160 | Cc1ccc(N2CC(C(=O)NC3CC3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][Ring1][O][=O][C][=C][Ring2][Ring1][C] | Cc1ccc7cc1.N17CC6CC1=O.C46=O.C15CC1.N45 |
3161 | O=S(=O)(c1cccc(Cl)c1Cl)N1CCCCC1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][N][C][C][C][C][C][Ring1][=Branch1] | O=S2(=O)c1cccc(Cl)c1Cl.N12CCCCC1 |
3162 | Cc1sc(NC(=O)c2cccnc2)nc1-c1ccc(Cl)cc1 | [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][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1sc4nc16.c16ccc(Cl)cc1.c15cccnc1.C35=O.N34 |
3163 | Cc1sc(NC(=O)c2ccncc2)nc1-c1ccc(Cl)cc1 | [C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1sc4nc16.c16ccc(Cl)cc1.c15ccncc1.C35=O.N34 |
3165 | CCc1ccc(S(=O)(=O)NCc2cccnc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc(S4(=O)=O)cc1.c16cccnc1.CC5.N34.C36 |
3166 | Cc1cc(C)c2oc(-c3ccc(N)cc3O)nc2c1 | [C][C][=C][C][Branch1][C][C][=C][O][C][Branch1][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][O][=N][C][Ring1][=N][=C][Ring2][Ring1][C] | Cc1cc(C)c2oc4nc2c1.c14ccc(N)cc1O |
3167 | O=C1CN(C(=O)c2cccnc2)c2ccccc2N1 | [O][=C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C] | O=C1CN3c2ccccc2N1.c14cccnc1.C34=O |
3168 | CCc1ccc(N2CC(C(=O)NC3CC3)CC2=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][Ring1][O][=O][C][=C][Ring2][Ring1][C] | c17ccc8cc1.N18CC6CC1=O.C46=O.C15CC1.CC7.N45 |
3169 | NS(=O)(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][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][C][=C][Ring2][Ring1][Ring1] | NS(=O)(=O)c1ccc5cc1.C16COc2ccccc2O1.C46=O.N45 |
3170 | CC1CCN(C(=O)C2COc3ccccc3O2)CC1 | [C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][C][Ring2][Ring1][C] | C15COc2ccccc2O1.CC1CCN4CC1.C45=O |
3171 | CC(=O)Oc1cccc(NC(=O)CC2Nc3ccccc3NC2=O)c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][Branch1] | C18Nc2ccccc2NC1=O.c16cccc7c1.C5(=O)C8.CC4=O.O46.N57 |
3172 | Cc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][O][Ring1][=Branch1][C][C][C][N][Ring1][Branch2][C][C][C][Ring1][N] | Cc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3 |
3173 | N#Cc1c(C(F)(F)F)nn(-c2ccccc2)c1N | [N][#C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][#C][N] | N#Cc1c3nn4c1N.c14ccccc1.C3(F)(F)F |
3174 | CCOC(=O)C1=C(C)NC(=O)NC1c1cccc(Br)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][C][Branch1][C][Br][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(=O)NC14.c14cccc(Br)c1.CC3.O23 |
3175 | Cc1cccc(NC(=O)CSc2nnnn2C)c1C | [C][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][Ring1][P][C] | Cc1cccc5c1C.c16nnnn1C.C3(=O)C4.N35.S46 |
3176 | CCOC(=O)c1ccc(Nc2ncnc3[nH]cnc23)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][S] | c16ncnc2[nH]cnc12.c18ccc7cc1.C48=O.CC5.O45.N67 |
3177 | CCOC(=O)c1ccc(CNc2ncnc3[nH]cnc23)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][P] | c17ncnc2[nH]cnc12.c18ccc9cc1.C48=O.CC5.O45.C69.N67 |
3178 | COC(=O)COc1ccc2c(=O)c(-c3csc(C)n3)coc2c1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][O][C][Ring1][=N][=C][Ring1][P] | c16ccc2c(=O)c7coc2c1.c17csc(C)n1.C4(=O)C5.CO4.O56 |
3180 | CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(F)cc2)c1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][P] | CCS(=O)(=O)c1ccc(O)c4c1.c15ccc(F)cc1.C35=O.N34 |
3184 | CCOC(=O)Nc1ccc(C)cc1Br | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Br] | c15ccc(C)cc1Br.C23=O.CC4.O24.N35 |
3186 | Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c17ccc2c(c1)OCO2.Cc1ccc6cc1.C5C4=O.O56.N47 |
3187 | O=C(COc1ccccc1)Nc1ccc2c(c1)OCO2 | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c15ccccc1.O=C3C4.O45.N36 |
3188 | O=C(Nc1ccc2c(c1)OCO2)Oc1ccccc1 | [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][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c15ccccc1.O=C34.N46.O35 |
3189 | Fc1cc(F)c(F)c(SCCc2ccccn2)c1F | [F][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][N][S][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][P][F] | Fc1cc(F)c(F)c5c1F.c14ccccn1.C3C4.S35 |
3191 | CCOC(=O)c1cnn(-c2nc(C)cc(C)n2)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][#C][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=Ring1][=N][N] | c16nc(C)cc(C)n1.c15cnn6c1N.C35=O.CC4.O34 |
3192 | CCOC(=O)c1c(C)nn(Cc2ccccc2)c1N | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=N][N] | c15c(C)nn6c1N.c17ccccc1.C35=O.CC4.O34.C67 |
3193 | C=CCn1c(-c2nonc2NC(C)=O)nc2ccccc21 | [C][=C][C][N][C][Branch1][=C][C][=N][O][N][=C][Ring1][Branch1][N][C][Branch1][C][C][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | n15c6nc2ccccc21.c16nonc14.C=CC5.C3(C)=O.N34 |
3194 | Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc2ccccc2c1 | [C][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | Cc1[nH]c(=O)[nH]c(=O)c1S3(=O)=O.c14ccc2ccccc2c1.N34 |
3195 | CC(C)C(=O)Nc1nnc(-c2ccccc2Cl)s1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][Ring1][N] | c15ccccc1Cl.c14nnc5s1.CC(C)C3=O.N34 |
3196 | COc1cc(OC)cc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][Ring2][Ring1][Ring1] | c14cc5cc7c1.c16c[nH]c(=O)[nH]c1=O.C37=O.CO4.O5C.N36 |
3197 | FC(F)(F)c1nnc2ccc(N3CCOCC3)nn12 | [F][C][Branch1][C][F][Branch1][C][F][C][=N][N][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][N][Ring1][#C][Ring1][N] | c15nnc2ccc4nn12.N14CCOCC1.FC5(F)F |
3198 | COC(=O)N1C2C=CC(C2)C1(C(F)(F)F)C(F)(F)F | [C][O][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] | N14C2C=CC(C2)C156.C5(F)(F)F.C6(F)(F)F.C34=O.CO3 |
3199 | COC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O] | c18ccc4cc1.c15ccccc1.C3(=O)C6.S7(C)(=O)=O.N678.CO3.O45 |
3201 | Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1 | [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][C][=C][Ring2][Ring1][C] | N14CCc2ccccc2C1.Cc1ccc5cc1.C45=O |
3203 | CC(=O)Nc1nonc1-c1nc2ccccc2n1CC#N | [C][C][=Branch1][C][=O][N][C][=N][O][N][=C][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][#N] | c16nc2ccccc2n15.c14nonc16.CC3=O.C5C#N.N34 |
3204 | O=C(CSc1nnnn1-c1ccccc1)c1ccccc1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnnn14.c14ccccc1.c13ccccc1.O=C3C2.S25 |
3206 | CCC1CCCCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | [C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N] | c16cc3c4c5c1.C17CCCCN12.C26=O.CC7.O3C.O4C.O5C |
3209 | CCOc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][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] | c19cc5c6c7c1.c14ccccc18.C29=O.CC3.O34.N28.O5C.O6C.O7C |
3210 | COc1cc(C(=O)Nc2ccccc2C)cc(OC)c1OC | [C][O][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | c14cc8cc5c16.c17ccccc1C.C38=O.CO4.N37.O5C.O6C |
3212 | CCc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][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] | c17cc3c4c5c1.c18ccccc16.C27=O.CC8.N26.O3C.O4C.O5C |
3213 | CCc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 | [C][C][C][=C][C][=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][C][=C][Ring2][Ring1][Branch1] | c18cc4c5c6c1.c19ccc7cc1.C38=O.CC9.N37.O4C.O5C.O6C |
3216 | CC(=O)Oc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][O][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c16ccc2c(=O)c7coc2c1.c17ccc2c(c1)OCCO2.CC5=O.O56 |
3217 | O=C1CC(c2ccc3c(c2)OCCCO3)Oc2ccc(F)cc21 | [O][=C][C][C][Branch2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1] | O=C1CC4Oc2ccc(F)cc21.c14ccc2c(c1)OCCCO2 |
3218 | Cc1ccc2c(c1)C(=O)CC(c1ccc3c(c1)OCCCO3)O2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][O][Ring2][Ring1][Ring1] | Cc1ccc2c(c1)C(=O)CC4O2.c14ccc2c(c1)OCCCO2 |
3220 | CCN(CC)C(=O)c1ccc(C(=O)c2ccccc2)o1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N] | c16ccc7o1.c18ccccc1.N345.C36=O.C78=O.CC4.C5C |
3221 | Cc1ccc(NC(=O)COC(=O)CSc2nc(C)cc(C)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch1] | c18nc(C)cc(C)n1.Cc1ccc7cc1.C4(=O)C5.C3(=O)C6.N47.O35.S68 |
3222 | Cc1cc(O)cc(O)c1C(=O)Cc1cnn(-c2ccccc2)c1 | [C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O] | Cc1cc(O)cc(O)c13.c14cnn5c1.c15ccccc1.C3(=O)C4 |
3223 | COc1ccc(C(=O)Cc2cnn(-c3ccccc3)c2)c(O)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Branch1][C][O][=C][Ring2][Ring1][Branch1] | c14ccc5c(O)c1.c16cnn7c1.c17ccccc1.C5(=O)C6.CO4 |
3225 | CCc1cc(C(=O)Cc2ccccn2)c(O)cc1O | [C][C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][C][O][C][=C][Ring1][S][O] | c15cc3c(O)cc1O.c14ccccn1.C3(=O)C4.CC5 |
3226 | CCS(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][C][N][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] | c14c(C)n(C)n5c1=O.c15ccccc1.CCS3(=O)=O.N34 |
3227 | COc1ccc(C2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2] | C16NC(=O)NC(C)=C1C3=O.c15ccc6cc1.C4(C)C.CO5.O34 |
3228 | CNC(=O)N(Cc1cccnc1)Cc1ccccc1Cl | [C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c17ccccc1Cl.c16cccnc1.C23=O.N345.CN2.C46.C57 |
3229 | CCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1cccnc1 | [C][C][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13nc2c(cnn24)c(=O)n15.c14ccccc1.c15cccnc1.CC3 |
3230 | O=C(c1ccccc1-c1nc2ccccc2[nH]1)N1CCCCC1 | [O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1] | c15nc2ccccc2[nH]1.c14ccccc15.N13CCCCC1.O=C34 |
3231 | C=CCn1c(CC)nc2c(cnn2-c2ccccc2)c1=O | [C][=C][C][N][C][Branch1][Ring1][C][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] | n13c4nc2c(cnn25)c1=O.c15ccccc1.C=CC3.C4C |
3232 | Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc6cc1.c15ccccc17.N14CCCCC1.C36=O.C47=O.N35 |
3233 | CCN(CC)C(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][C][=C][Ring1][=N][C][C][C][C][Ring1][=Branch1] | c19c7sc2c1CCCC2.c18ccco1.N356.C39=O.C48=O.CC5.C6C.N47 |
3234 | CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][C][Branch1][C][C][=C][Ring1][P][C] | c18c7sc(C)c1C.c19ccc6cc1.C38=O.C49=O.CC5.O35.N47.O6C |
3237 | Cc1ccccc1-n1c(C)nc2c(cnn2-c2ccccc2)c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] | n13c(C)nc2c(cnn24)c1=O.Cc1ccccc13.c14ccccc1 |
3238 | Cc1sc(NC(=O)Cc2ccc(Cl)cc2)c(C(N)=O)c1C | [C][C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][Ring1][C] | Cc1sc4c5c1C.c16ccc(Cl)cc1.C3(=O)C6.C5(N)=O.N34 |
3239 | CCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(OC)cc1 | [C][C][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c14nc2c(cnn25)c(=O)n16.c16ccc3cc1.c15ccccc1.CC4.O3C |
3240 | Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccccc1 | [C][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2c(cnn23)c(=O)n14.c13ccccc1.c14ccccc1 |
3241 | Cc1nn(C)c(C)c1NC(=O)c1ccc(-c2ccccc2)cc1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] | Cc1nn(C)c(C)c14.c15ccc6cc1.c16ccccc1.C35=O.N34 |
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