ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
39183 | Cc1nn(CC(=O)NCCc2ccccc2)c(=O)c2ccccc12 | [C][C][=N][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1] | Cc1nn5c(=O)c2ccccc12.c16ccccc1.C5C3=O.C4C6.N34 |
39184 | Cc1ccc(NC(=O)c2oc3ccccc3c2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][Ring2][Ring1][Ring1] | c16oc2ccccc2c1N.Cc1ccc5cc1.C46=O.N45 |
39185 | CC(=O)Nc1ccc(NC2OC(=O)c3ccccc32)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][N][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring1][P] | N6C1OC(=O)c2ccccc21.c15ccc6cc1.CC4=O.N45 |
39186 | Cc1cc(Cl)ccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | Cc1cc(Cl)ccc14.C15CCN3CC1.S3(C)(=O)=O.C25=O.N24 |
39187 | CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | N14CCC6CC1.c15ccccc1.CS4(=O)=O.C36=O.N35 |
39188 | CC(C)(C)NC(=O)C1CCN(S(C)(=O)=O)CC1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | C15CCN4CC1.CC3(C)C.S4(C)(=O)=O.C25=O.N23 |
39189 | CCN(CC)C(=O)C1CCN(S(C)(=O)=O)CC1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | C16CCN5CC1.S5(C)(=O)=O.N234.C26=O.CC3.C4C |
39190 | CC(C)c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c17ccc5cc1.C16CCN4CC1.S4(C)(=O)=O.CC7C.C36=O.N35 |
39192 | Cc1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][C] | Cc1cccc5c1C.C16CCN4CC1.S4(C)(=O)=O.C36=O.N35 |
39193 | Cc1nc(-c2ccc(C(=O)Nc3ccc(O)cc3)cc2)cs1 | [C][C][=N][C][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][S][=C][S][Ring2][Ring1][Branch1] | c17ccc6cc1.c15ccc(O)cc1.Cc1nc7cs1.C46=O.N45 |
39194 | Cc1c(Cl)cccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | Cc1c4cccc1Cl.C15CCN3CC1.S3(C)(=O)=O.C25=O.N24 |
39195 | CS(=O)(=O)N1CCC(C(=O)Nc2ccc(C(N)=O)cc2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][C] | N14CCC6CC1.c15ccc7cc1.CS4(=O)=O.C36=O.C7(N)=O.N35 |
39196 | CCCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccncc1 | [C][C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][C][=N][C][=C][Ring1][=Branch1] | n15c6nnc17.N13CCCCC1.c17ccncc1.C4C3=O.CCC5.S46 |
39197 | Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(N)cc1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1] | Cn1c6nnc17.c17ccc(N)cc1.C15CCCCC1.C4C3=O.S46.N35 |
39199 | Cc1ccc(NC(=O)Cn2c(=O)oc3ccccc32)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | n16c(=O)oc2ccccc21.Cc1ccc5c(C)c1.C4(=O)C6.N45 |
39200 | COc1ccccc1NC(=O)Cn1c(=O)sc2ccccc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n16c(=O)sc2ccccc21.c14ccccc15.C3(=O)C6.CO4.N35 |
39201 | O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(O)cc1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | n15c(=O)sc2ccccc21.c14ccc(O)cc1.O=C3C5.N34 |
39202 | CC(C)CNC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C] | S5(=O)(=O)c1ccccc1.C16CCCN5C1.CC(C)C4.C36=O.N34 |
39203 | Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCC(C)C)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S5(=O)=O)cc1.N15CCCC6C1.C4C(C)C.C36=O.N34 |
39204 | Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(C)C)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S5(=O)=O)cc1.N15CCCC6C1.C36=O.C4(C)C.N34 |
39205 | CCC1CCCCN1C(=O)c1ccc(F)c(F)c1 | [C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c13ccc(F)c(F)c1.C14CCCCN12.C23=O.CC4 |
39206 | CCC1CCCCN1C(=O)c1ccc(C)c(F)c1F | [C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2][F] | c13ccc(C)c(F)c1F.C14CCCCN12.C23=O.CC4 |
39207 | O=C(c1ccc(F)cc1F)N1CCc2ccccc2C1 | [O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14ccc(F)cc1F.O=C34 |
39208 | Cc1ccc(C(=O)N2CCc3ccccc3C2)c(F)c1F | [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][Branch1][C][F][=C][Ring2][Ring1][Ring1][F] | N14CCc2ccccc2C1.Cc1ccc5c(F)c1F.C45=O |
39209 | O=C(COc1ccc(F)cc1)N1CCc2ccccc2C1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c15ccc(F)cc1.O=C3C4.O45 |
39210 | O=C(NCC1CCCO1)c1ccc(Cl)c(F)c1F | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][F] | c14ccc(Cl)c(F)c1F.C15CCCO1.O=C24.N23.C35 |
39211 | CC(=O)c1ccc(N2CCN(C(C)=O)C(C)C2)c(F)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][C][C][Ring1][#Branch2][C][Branch1][C][F][=C][Ring1][P] | c15ccc4c(F)c1.N14CCN3C(C)C1.CC5=O.C3(C)=O |
39212 | CC(C)(C)NC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | c16nnc2c(n1)[nH]c1ccccc12.CC4(C)C.C3(=O)C5.N34.S56 |
39213 | CCOC(=O)C(C)Sc1nnc2c3ccccc3n(C)c2n1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][#Branch2][=N][Ring1][=C] | c17nnc2c3ccccc3n(C)c2n1.C4(=O)C6C.CC5.O45.S67 |
39214 | CCOC(=O)CCSc1nnc2c3ccccc3n(C)c2n1 | [C][C][O][C][=Branch1][C][=O][C][C][S][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][#Branch2][=N][Ring1][=C] | c17nnc2c3ccccc3n(C)c2n1.C4(=O)CC6.CC5.O45.S67 |
39215 | O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccccn1)c1ccco1 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] | c15ccc(Cl)cc17.c14ccccn1.c16ccco1.O=C26.C37=O.N25.N34 |
39217 | CCN(CC)C(=O)c1cc(Cl)ccc1NC(=O)c1ccco1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c18cc(Cl)ccc16.c17ccco1.N245.C28=O.C37=O.CC4.C5C.N36 |
39218 | CN(C)C(=O)c1cc(Cl)ccc1NC(=O)c1ccco1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c16cc(Cl)ccc14.c15ccco1.CN2C.C26=O.C35=O.N34 |
39219 | CN(C)C(=O)c1ccccc1NC(=O)c1ccco1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c16ccccc14.c15ccco1.CN2C.C26=O.C35=O.N34 |
39220 | Cc1ccc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring2][C] | Cc1ccc6cc1C.N13CCCCC1.C4C3=O.S5(C)(=O)=O.N456 |
39222 | CS(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][S] | N15CCC6CC1.c17ccccn1.CS5(=O)=O.C36=O.N34.C47 |
39223 | CS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring1][P] | c15ccc(F)cc1F.N14CCC6CC1.CS4(=O)=O.C36=O.N35 |
39224 | CS(=O)(=O)N1CCC(C(=O)NCc2ccncc2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][S] | N15CCC6CC1.c17ccncc1.CS5(=O)=O.C36=O.N34.C47 |
39225 | CC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 | [C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][C][Ring2][Ring1][C] | CC1CCN3CC1.C15CCN4CC1.S4(C)(=O)=O.C35=O |
39226 | CCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 | [C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c17cc8nc2ccccc12.c18ccc4c5c1.C37=O.CC6.N36.O4C.O5C |
39227 | CCOC(=O)c1c(C)n(C(C)C)c2ccc(OCC(N)=O)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][C][Ring1][O] | c17c(C)n8c2ccc6cc12.C5C(N)=O.C37=O.C8(C)C.CC4.O34.O56 |
39228 | CCOC(=O)c1cc(C)sc1NC(=O)c1ccncc1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] | c16cc(C)sc15.c17ccncc1.C26=O.C37=O.CC4.O24.N35 |
39229 | Cc1cccc(OCC(=O)NCc2ccc3c(c2)OCO3)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][C] | c18ccc2c(c1)OCO2.Cc1cccc6c1C.C5C4=O.O56.N47.C78 |
39230 | Cc1ccc(C(=O)NCc2ccccn2)c(Cl)c1 | [C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][P] | Cc1ccc5c(Cl)c1.c16ccccn1.C35=O.N34.C46 |
39231 | C=CCn1c(N)cc(=O)nc1SC(C)C(=O)Nc1ccccc1 | [C][=C][C][N][C][Branch1][C][N][=C][C][=Branch1][C][=O][N][=C][Ring1][Branch2][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c(N)cc(=O)nc16.c14ccccc1.C3(C)C2=O.C=CC5.S36.N24 |
39232 | Cc1cc(=O)[nH]c(SC(C)C(=O)Nc2ccccc2)n1 | [C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][Ring1][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc(=O)[nH]c6n1.c15ccccc1.C4(C)C3=O.S46.N35 |
39233 | Cc1ccc(NC(=O)C(C)Sc2nc(C)cc(=O)[nH]2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c16nc(C)cc(=O)[nH]1.Cc1ccc5cc1.C3(=O)C4C.N35.S46 |
39234 | Cc1cccc(C)c1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O] | N15C(=O)c2ccccc2S1(=O)=O.Cc1cccc(C)c14.C3(=O)C5.N34 |
39235 | Cc1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | N16C(=O)c2ccccc2S1(=O)=O.Cc1ccc5c(C)c1.C4(=O)C6.N45 |
39236 | CS(=O)(=O)N(CC(=O)N1CCCCC1)c1cccc(F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15cccc(F)c1.N12CCCCC1.CS4(=O)=O.C3C2=O.N345 |
39237 | Cc1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][=Branch1] | N16C(=O)c2ccccc2S1(=O)=O.Cc1ccc5cc1.C4(=O)C6.N45 |
39238 | O=C(CN1C(=O)c2cccc3cccc1c23)NC1CCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][C][Ring1][Branch1] | O=C4CN1C(=O)c2cccc3cccc1c23.C15CCCC1.N45 |
39240 | CC1CCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2] | S5(=O)(=O)c1ccccc1.CC1CCN3CC1.C3(=O)C4.N45C |
39241 | NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][Ring2] | C15CCN4CC1.c16ccc7cc1.c17ccccc1.NC5=O.C46=O |
39242 | CNC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | [C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][Ring2] | C16CCN5CC1.c17ccc8cc1.c18ccccc1.C46=O.C57=O.CN4 |
39245 | Cc1cc(C)c(S(=O)(=O)NCC(=O)NCc2ccco2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1cc(C)c(S6(=O)=O)c(C)c1.c17ccco1.C4C3=O.N46.N35.C57 |
39246 | COC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc(S6(=O)=O)cc1.N16CCOCC1.C3(=O)C4.CO3.O45 |
39247 | COC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc(S6(=O)=O)cc1.N16CCCCC1.C3(=O)C4.CO3.O45 |
39248 | CCC(C)NC(=O)CN1C(=O)c2cccc3cccc1c23 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1] | C4(=O)CN1C(=O)c2cccc3cccc1c23.CCC5C.N45 |
39249 | COC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S] | c15ccc(S6(=O)=O)cc1.N16CCC(C)CC1.C3(=O)C4.CO3.O45 |
39250 | CN(C)C(=O)CSc1nc(-c2ccccc2)nc2c1CCCC2 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][C][C][C][Ring1][=Branch1] | c15nc6nc2c1CCCC2.c16ccccc1.C3(=O)C4.CN3C.S45 |
39251 | Cc1cccc(-c2nc3c(c(SCC(N)=O)n2)CCCC3)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=N][C][=C][Branch1][=C][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][Ring1][O][C][C][C][C][Ring1][=N][=C][Ring2][Ring1][Branch1] | c16nc5c2c(n1)CCCC2.Cc1cccc6c1.C4C(N)=O.S45 |
39252 | Nc1ccc2c(c1)nc(Cc1ccccc1)n2CCO | [N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C][C][O] | Nc1ccc2c(c1)nc4n23.c15ccccc1.C3CO.C45 |
39253 | O=c1[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2o1 | [O][=C][NH1][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][O][Ring2][Ring1][C] | O=c1[nH]c2ccc(S4(=O)=O)cc2o1.N14CCOCC1 |
39254 | CCN(CC)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C] | S5(=O)(=O)c1ccc2c(c1)oc(=O)n2C.N345.CC3.C4C |
39256 | CCN(CC)S(=O)(=O)c1ccc(-c2nnco2)cc1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=N][N][=C][O][Ring1][Branch1][C][=C][Ring1][O] | S5(=O)(=O)c1ccc6cc1.c16nnco1.N345.CC3.C4C |
39257 | CC(Oc1ccc(F)cc1)C(=O)NCc1ccncc1 | [C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14ccc(F)cc1.c16ccncc1.CC3C2=O.O34.N25.C56 |
39258 | Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12 | [N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | Nc1c5oc2ccccc12.c14ccc(Cl)cc1.C35=O.N34 |
39259 | COc1ccc2nc(SCC(=O)NC3CCCC3)[nH]c2c1 | [C][O][C][=C][C][=C][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][NH1][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c15ccc2nc8[nH]c2c1.C17CCCC1.C6C4=O.CO5.S68.N47 |
39260 | COc1ccc2nc(SCC(=O)NC3CCCCC3)[nH]c2c1 | [C][O][C][=C][C][=C][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][NH1][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c15ccc2nc8[nH]c2c1.C17CCCCC1.C6C4=O.CO5.S68.N47 |
39261 | Cn1nc(-c2ccc3c(c2)OCO3)nc2c(=O)n(C)c(=O)nc1-2 | [C][N][N][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring2][Ring1][=Branch1][Ring1][=Branch2] | Cn1nc4nc2c(=O)n(C)c(=O)nc1-2.c14ccc2c(c1)OCO2 |
39262 | CCOc1ccc(NC(=O)C2CC(=O)N(C3CCCCC3)C2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c16ccc7cc1.C18CC(=O)N9C1.C19CCCCC1.C48=O.CC5.O56.N47 |
39263 | Cn1nnc2cc(NC(=O)Nc3ccc(F)cc3)ccc21 | [C][N][N][=N][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][P][Ring2][Ring1][Ring2] | Cn1nnc2cc6ccc21.c17ccc(F)cc1.C45=O.N46.N57 |
39264 | CN(c1ccc(C(=O)N2CCCC2)cc1)S(C)(=O)=O | [C][N][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc6cc1.N13CCCC1.S4(C)(=O)=O.CN45.C36=O |
39265 | Cc1nc2cc(NC(=O)Nc3ccccc3F)ccc2o1 | [C][C][=N][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][Ring1][P][O][Ring2][Ring1][Ring2] | Cc1nc2cc6ccc2o1.c17ccccc1F.C45=O.N46.N57 |
39266 | Cc1nc2cc(NC(=O)Nc3ccc(F)cc3)ccc2o1 | [C][C][=N][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][P][O][Ring2][Ring1][Ring2] | Cc1nc2cc6ccc2o1.c17ccc(F)cc1.C45=O.N46.N57 |
39267 | CCOc1ccc(N2CC(C(=O)NC(C)C)CC2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][O][=O][C][=C][Ring2][Ring1][C] | c15ccc8cc1.N18CC7CC1=O.C37=O.C6(C)C.CC4.O45.N36 |
39269 | CC(C)NC(=O)C1CC(=O)N(c2ccc(C(C)C)cc2)C1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Ring1][#C] | C15CC(=O)N7C1.c17ccc6cc1.CC4C.C35=O.C6(C)C.N34 |
39270 | COc1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O] | N16C(=O)c2ccccc2S1(=O)=O.c14ccccc15.C3(=O)C6.CO4.N35 |
39271 | CC(C)(C)NC(=O)CN1C(=O)c2cccc3cccc1c23 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1] | C4(=O)CN1C(=O)c2cccc3cccc1c23.CC5(C)C.N45 |
39275 | Cn1cc(Cl)c(C(=O)N2CCN(c3ncccn3)CC2)n1 | [C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=N][Ring2][Ring1][Ring2] | Cn1cc(Cl)c6n1.N14CCN5CC1.c15ncccn1.C46=O |
39277 | CCn1ccc(C(=O)Nc2ccccc2C(=O)OC)n1 | [C][C][N][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=N][Ring2][Ring1][C] | c15ccccc17.n18ccc6n1.C46=O.C37=O.CC8.N45.O3C |
39278 | CCn1nccc1C(=O)Nc1ccc(Cl)cn1 | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | c13ccc(Cl)cn1.n15nccc14.C24=O.CC5.N23 |
39281 | CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | [C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | S4(=O)(=O)c1ccccc1.C15CCN4CC1.C35=O.CN3 |
39282 | O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCCCC1 | [O][=C][Branch2][Ring1][#Branch2][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][N][C][C][C][C][C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.C15CCN4CC1.N13CCCCC1.O=C35 |
39283 | COc1ccc(C(=O)n2nc(-c3ccco3)nc2N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][#Branch2][N][C][=C][Ring2][Ring1][Ring1] | C5(=O)n1nc6nc1N.c14ccc5cc1.c16ccco1.CO4 |
39284 | COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccco2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | c14ccc(S7(=O)=O)cc1.c18ccco1.C5C3=O.N57C.CO4.N36.C68 |
39287 | CC(=O)Nc1cccc(-c2cn3ccc(C)cc3n2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][C][=C][N][C][=C][C][Branch1][C][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=C][Ring1][S] | c16cn2ccc(C)cc2n1.c15cccc6c1.CC4=O.N45 |
39288 | Nc1cccc(C(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)c1 | [N][C][=C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C][=C][Ring2][Ring1][Branch2] | c16ccc2[nH]c8nc2c1.Nc1cccc7c1.c18ccccn1.C57=O.N56 |
39290 | CC(=O)Nc1nc2ccc(NC(=O)c3ccco3)cc2s1 | [C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][S][Ring1][P] | c16nc2ccc7cc2s1.c18ccco1.CC4=O.C58=O.N46.N57 |
39291 | CC(=O)Nc1ccc2nc(-c3ccccc3)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=C][Ring1][#C] | c15ccc2nc6oc2c1.c16ccccc1.CC4=O.N45 |
39293 | Cn1c(=O)c2c(-c3ccccc3)n(-c3cccc(N)c3)cc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][N][Branch1][C][C][C][Ring2][Ring1][Branch2][=O] | Cn1c(=O)c2c5n4cc2n(C)c1=O.c14cccc(N)c1.c15ccccc1 |
39294 | Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=C][N][Ring1][=N][C][C][=C][Ring2][Ring1][Ring2] | c14c2c(=O)n(C)c(=O)n(C)c2cn1C.Cc1ccc4cc1 |
39295 | COc1ccc(CNC(=O)COC(=O)c2ccco2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | c16ccc9cc1.c18ccco1.C4(=O)C5.C38=O.CO6.C79.N47.O35 |
39297 | O=C(COC(=O)c1cccs1)NC1CCCC1 | [O][=C][Branch1][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][C][C][Ring1][Branch1] | c16cccs1.C15CCCC1.O=C3C4.C26=O.O24.N35 |
39298 | O=C(COC(=O)c1cccs1)NCc1ccc(F)cc1 | [O][=C][Branch1][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17ccc(F)cc1.c16cccs1.O=C3C4.C26=O.O24.N35.C57 |
39299 | O=C(COC(=O)c1cccs1)NCc1ccco1 | [O][=C][Branch1][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][=C][C][=C][O][Ring1][Branch1] | c16cccs1.c17ccco1.O=C3C4.C26=O.O24.N35.C57 |
39300 | CC(C)C(=O)Nc1nnc(SCC(=O)NC2CCCCC2)s1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][S] | c16nnc8s1.C17CCCCC1.CC(C)C3=O.C5C4=O.N36.S58.N47 |
39301 | CC(C)C(=O)Nc1nnc(SCC(=O)N2CCCCC2)s1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Ring1][#C] | c16nnc7s1.N14CCCCC1.CC(C)C3=O.C5C4=O.N36.S57 |
39302 | CC(=O)Nc1nnc(SCC(=O)N2CCCCC2)s1 | [C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Ring1][#C] | c16nnc7s1.N14CCCCC1.C5C4=O.CC3=O.N36.S57 |
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