ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
13010 | CCOC(=O)Oc1cc2oc(=O)sc2cc1Br | [C][C][O][C][=Branch1][C][=O][O][C][=C][C][O][C][=Branch1][C][=O][S][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2][Br] | c16cc2oc(=O)sc2cc1Br.C34=O.CC5.O35.O46 |
13014 | COC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c17ccc(S6(=O)=O)cc1.N16CCCc2ccccc21.C45=O.CO4.N57 |
13015 | CCc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][Branch1] | c15ccc2c(c1)n(C)c(=O)n2C.c17ccc6cc1.C46=O.CC7.N45 |
13016 | C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(C(N)=O)CC2)c1 | [C][=C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][N][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][=C][Ring2][Ring1][Branch1] | C=C(C)c1cccc7c1.N14CCC6CC1.C57(C)C.C34=O.C6(N)=O.N35 |
13017 | O=C(Nc1ccc(F)cc1)N1CC2CC(C1)c1cccc(=O)n1C2 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][N] | N14CC2CC(C1)c1cccc(=O)n1C2.c15ccc(F)cc1.O=C34.N35 |
13020 | CC(=O)c1cc2cc(Br)cc(Br)c2oc1=O | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][O][C][Ring1][N][=O] | c13cc2cc(Br)cc(Br)c2oc1=O.CC3=O |
13021 | Cc1cccc(Cn2c(CO)nc3ccccc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][N][C][Branch1][Ring1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][C] | n14c5nc2ccccc21.Cc1cccc6c1.C46.C5O |
13022 | COc1cc2c(cc1OC)-c1nnc(-c3ccco3)n1C(C)(C)C2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring2] | c14cc2c(cc15)-c1nnc6n1C(C)(C)C2.c16ccco1.CO4.O5C |
13023 | COc1cc2c(cc1OC)C(c1ccccc1)=NC(C)(C)C2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][C] | c13cc2c(cc14)C(c1ccccc1)=NC(C)(C)C2.CO3.O4C |
13024 | Nc1ncc2c(n1)CC(c1ccc(Cl)cc1)CC2=O | [N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=C][=O] | Nc1ncc2c(n1)CC3CC2=O.c13ccc(Cl)cc1 |
13025 | CC(=O)Nc1ncc2c(n1)CC(c1ccco1)CC2=O | [C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N][=O] | c14ncc2c(n1)CC5CC2=O.c15ccco1.CC3=O.N34 |
13026 | CCc1nnc(NC(=O)CCc2ccccc2)s1 | [C][C][C][=N][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][S] | c15nnc4s1.c16ccccc1.C3(=O)CC6.CC5.N34 |
13027 | CC(C)c1nnc(NC(=O)Cc2ccccc2)s1 | [C][C][Branch1][C][C][C][=N][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#C] | c15nnc4s1.c16ccccc1.C3(=O)C6.CC5C.N34 |
13028 | O=C(Cc1ccccc1)Nc1nnc(Cc2ccccc2)s1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N] | c16ccccc1.c14nnc5s1.c17ccccc1.O=C3C6.N34.C57 |
13029 | O=C(Cc1ccccc1)Nc1nnc(CCc2ccccc2)s1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N] | c16ccccc1.c14nnc5s1.c17ccccc1.O=C3C6.C5C7.N34 |
13030 | Nc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring1][S][C][=C][Ring2][Ring1][=Branch2] | c18nc2ccccc2o1.c16ccc(O)c8c1.Nc1ccc7cc1.C57=O.N56 |
13031 | CCOC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][S] | C18CCN4CC1.c17ccc(Cl)cc1.C38=O.C45=O.CC6.O36.N57 |
13032 | CC(=O)Nc1ccc(OC(F)(F)C(F)F)c(NC(C)=O)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][P] | c16ccc5c7c1.C4(F)(F)C(F)F.CC2=O.C3(C)=O.N26.O45.N37 |
13033 | COc1ccccc1Nc1nc(C)cc(C)c1C(N)=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][N][=O] | c13nc(C)cc(C)c15.c12ccccc14.C5(N)=O.CO2.N34 |
13035 | CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c15ccc(S3(=O)=O)cc1.N13CCC4CC1.CC5(C)C.C4(N)=O |
13037 | COc1cccc(C(=O)NCc2cnn(C)c2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Ring1][P] | c14cccc6c1.c17cnn(C)c1C.C36=O.CO4.N35.C57 |
13038 | Cc1nn(C)c(C)c1CNC(=O)c1cccc(Br)c1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | Cc1nn(C)c(C)c15.c14cccc(Br)c1.C24=O.C35.N23 |
13039 | CCOc1ccc(C(=O)NCc2c(C)nn(C)c2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][=C][Ring2][Ring1][C] | c18c(C)nn(C)c1C.c15ccc7cc1.C37=O.CC4.O45.N36.C68 |
13040 | Cc1oc(C(C)(C)C)cc1C(=O)Nc1cccc(O)c1 | [C][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | Cc1oc5cc14.c13cccc(O)c1.C5(C)(C)C.C24=O.N23 |
13042 | CC1=C(C(=O)OC2CCCC2)C(c2ccccc2)NC(=O)N1 | [C][C][=C][Branch1][=N][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1] | CC1=C(C3=O)C5NC(=O)N1.c15ccccc1.C14CCCC1.O34 |
13043 | CCOC(=O)C1=C(C)NC(=O)NC1c1cc(OC)cc(OC)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][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | C2(=O)C1=C(C)NC(=O)NC16.c16cc4cc5c1.CC3.O23.O4C.O5C |
13044 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(Cl)c(Cl)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | C2(=O)C1=C(C)NC(=O)NC13.c13ccc(Cl)c(Cl)c1.CO2 |
13045 | CC1=C(C(=O)OC(C)C)C(c2ccccc2)NC(=O)N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1] | CC1=C(C3=O)C5NC(=O)N1.c15ccccc1.C4(C)C.O34 |
13046 | CCOC(=O)c1sc(NC(C)=O)c(C(=O)OCC)c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=Ring1][=C][C] | c18sc7c9c1C.C28=O.C4(C)=O.C39=O.CC5.O25.N47.O36.C6C |
13047 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(Cl)cc1Cl | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | C2(=O)C1=C(C)NC(=O)NC13.c13ccc(Cl)cc1Cl.CO2 |
13048 | COC(=O)C1=C(C)NC(=O)NC1c1cc2c(cc1Cl)OCO2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][O][C][O][Ring1][Branch2] | C3(=O)C1=C(C)NC(=O)NC14.c14cc2c(cc1Cl)OCO2.CO3 |
13049 | CCOC(=O)C1CCN(C(=O)c2ccc(SC)cc2OC)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][O][C][C][C][Ring2][Ring1][C] | c18ccc9cc16.C17CCN4CC1.C37=O.C48=O.CC5.O35.S9C.O6C |
13050 | CC1=C(C(=O)OC(C)C)C(c2ccc3c(c2)OCO3)NC(=O)N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1] | CC1=C(C4=O)C6NC(=O)N1.c16ccc2c(c1)OCO2.C5(C)C.O45 |
13051 | O=C(C(Sc1ccccc1)c1ccccc1)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch1][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15ccccc1.c14ccccc1.N12CCOCC1.O=C2C34.S35 |
13052 | COC(=O)C1=C(C)NC(=O)NC1c1ccccc1OC(C)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][=C][Ring1][=Branch1][O][C][Branch1][C][C][C] | C2(=O)C1=C(C)NC(=O)NC15.c15ccccc14.C3(C)C.CO2.O34 |
13053 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(O)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(=O)NC13.c13ccc(O)cc1.CO2 |
13054 | O=c1cnn(Cc2ccccc2)c(=O)n1Cc1ccccc1 | [O][=C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1cnn3c(=O)n14.c15ccccc1.c16ccccc1.C35.C46 |
13056 | CC(C)Cn1cc(Cl)c(=O)n(CC(C)C)c1=O | [C][C][Branch1][C][C][C][N][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][N][=O] | n12cc(Cl)c(=O)n3c1=O.CC(C)C2.C3C(C)C |
13057 | COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc2c(c1)OCO2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | C3(=O)C1=C(C)N(C)C(=O)NC14.c14ccc2c(c1)OCO2.CO3 |
13058 | COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | C2(=O)C1=C(C)N(C)C(=O)NC13.c13ccc(C)cc1.CO2 |
13059 | Cn1c(=O)c2c(nc(Nc3ccccc3)n2C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C][N][Branch1][C][C][C][Ring2][Ring1][Ring1][=O] | Cn1c(=O)c2c(nc4n2C)n(C)c1=O.c15ccccc1.N45 |
13060 | c1ccc(NCC2OCc3ccccc3CO2)cc1 | [C][=C][C][=C][Branch2][Ring1][C][N][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | C16OCc2ccccc2CO1.c1ccc5cc1.N45.C46 |
13061 | CCOC(=O)c1c(NC(C)=O)sc2c1CCc1ccccc1-2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][=C][Ring1][=Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | c17c6sc2c1CCc1ccccc1-2.C37=O.C4(C)=O.CC5.O35.N46 |
13062 | CC(=O)Nc1sc(C)c(C)c1C(=O)NC(C)C | [C][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C] | c15sc(C)c(C)c16.CC2=O.C36=O.C4(C)C.N25.N34 |
13063 | CCOC(=O)c1c(NC(C)=O)sc2c1CCCC2O | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][=Branch1][O] | c17c6sc2c1CCCC2O.C37=O.C4(C)=O.CC5.O35.N46 |
13064 | CCOC(=O)c1c(NC(=O)CC)sc2c1CCCC2O | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][S][C][=C][Ring1][#Branch2][C][C][C][C][Ring1][=Branch1][O] | c17c6sc2c1CCCC2O.C4(=O)CC.C37=O.CC5.O35.N46 |
13065 | C=CCn1nc(C)c(Cc2c(C)nn(CC=C)c2C)c1C | [C][=C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][C][C][C][C][Branch1][C][C][=N][N][Branch1][Ring2][C][C][=C][C][=Ring1][=Branch2][C][=C][Ring1][P][C] | n13nc(C)c5c1C.c16c(C)nn4c1C.C=CC3.C4C=C.C56 |
13066 | CCOC(=O)c1c(C)n(C)c2cc(Br)c(OC)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=C][C][Branch1][C][Br][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][Ring1][=Branch2] | c16c(C)n(C)c2cc(Br)c5cc12.C36=O.CC4.O34.O5C |
13067 | O=C(NC1CCCCC1)C1(c2ccccc2)CCOCC1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N] | C156CCOCC1.C14CCCCC1.c16ccccc1.O=C35.N34 |
13069 | Cc1ccc(OCCn2c(SCC(N)=O)nc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | n17c8nc2ccccc21.Cc1ccc5cc1.C6C(N)=O.C4C7.O45.S68 |
13070 | NC(=O)CSc1nc2cc(Br)ccc2[nH]1 | [N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2] | c14nc2cc(Br)ccc2[nH]1.NC(=O)C3.S34 |
13072 | NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][#C] | C14CCN3CC1.c15cccc(Cl)c1.NC4=O.C35=O |
13073 | CCOC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | C16CCN4CC1.c17ccc(Br)cc1.C36=O.C47=O.CC5.O35 |
13075 | COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][=C][Ring1][P] | c14ccc6cc1.N13CCC5CC1.C36=O.C5(N)=O.CO4 |
13076 | Cc1cc(C)cc(OCC(=O)NCc2ccncc2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | Cc1cc5cc(C)c1.c17ccncc1.C4C3=O.O45.N36.C67 |
13077 | COc1ccc(CC(=O)NCc2ccncc2)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P][O][C] | c14ccc7cc15.c18ccncc1.C7C3=O.CO4.N36.C68.O5C |
13078 | Cc1ccccc1OCC(=O)NCc1ccccn1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1ccccc14.c16ccccn1.C3C2=O.O34.N25.C56 |
13079 | Cc1cccc(OCC(=O)NCc2cccnc2)c1 | [C][C][=C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1cccc5c1.c17cccnc1.C4C3=O.O45.N36.C67 |
13080 | Cc1cccc(OCC(=O)NCc2ccncc2)c1 | [C][C][=C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1cccc5c1.c17ccncc1.C4C3=O.O45.N36.C67 |
13081 | Cc1ccc(OCC(=O)NCc2ccncc2)cc1 | [C][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c17ccncc1.C4C3=O.O45.N36.C67 |
13084 | Cc1cc(OCC(=O)NCc2cccnc2)ccc1Br | [C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][Br] | Cc1cc5ccc1Br.c17cccnc1.C4C3=O.O45.N36.C67 |
13085 | Cc1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc5c(C)c1.c16ccc7cc1.C4C3=O.C7(N)=O.O45.N36 |
13087 | COc1cccc(OCC(=O)Nc2ccc(C(N)=O)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c15cccc6c1.c17ccc8cc1.C4C3=O.C8(N)=O.CO5.O46.N37 |
13088 | COc1cccc(OCC(=O)Nc2ccc(NC(C)=O)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | c16cccc7c1.c18ccc9cc1.C5C3=O.C4(C)=O.CO6.O57.N38.N49 |
13089 | COc1cccc(OCC(=O)Nc2cccc(C)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][C] | c15cccc6c1.c17cccc(C)n1.C4C3=O.CO5.O46.N37 |
13090 | COc1cccc(OCC(=O)NCc2ccccn2)c1 | [C][O][C][=C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][C] | c15cccc6c1.c18ccccn1.C4C3=O.CO5.O46.N37.C78 |
13091 | COc1cccc(OCC(=O)NC2CCCCC2)c1 | [C][O][C][=C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][P] | c15cccc6c1.C17CCCCC1.C4C3=O.CO5.O46.N37 |
13097 | COc1ccc(OCC(=O)Nc2ccc(OC)c(OC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | c19ccc7c8c1.c15ccc6cc1.C4C3=O.CO5.O46.N39.O7C.O8C |
13098 | COc1ccccc1OCC(=O)Nc1ccncc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14ccccc15.c16ccncc1.C3C2=O.CO4.O35.N26 |
13100 | Cc1cc(OCC(=O)N2CCOCC2)cc(C)c1Cl | [C][C][=C][C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][C][C][=C][Ring1][P][Cl] | Cc1cc5cc(C)c1Cl.N13CCOCC1.C4C3=O.O45 |
13101 | Cn1c(C(O)(c2ccccc2)C(O)c2ccco2)nc2ccccc21 | [C][N][C][Branch2][Ring1][#Branch2][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] | Cn1c3nc2ccccc21.C35(O)C4O.c15ccccc1.c14ccco1 |
13102 | OCc1nc2ccccc2n1CCOc1ccccc1Cl | [O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c16nc2ccccc2n15.c14ccccc1Cl.C5C3.OC6.O34 |
13103 | OCc1nc2ccccc2n1CCOc1cccc(Cl)c1 | [O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c16nc2ccccc2n15.c14cccc(Cl)c1.C5C3.OC6.O34 |
13104 | OCc1nc2ccccc2n1CCOc1ccc(Cl)cc1 | [O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c16nc2ccccc2n15.c14ccc(Cl)cc1.C5C3.OC6.O34 |
13105 | Cc1cc(C)c(NC(=O)CSc2nc3ccccc3[nH]2)c(C)c1 | [C][C][=C][C][Branch1][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][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1cc(C)c6c(C)c1.c17nc2ccccc2[nH]1.C4(=O)C5.N46.S57 |
13107 | Cc1ccc(OCCn2c(CO)nc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][N][C][Branch1][Ring1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | n16c7nc2ccccc21.Cc1ccc5cc1.C4C6.O45.C7O |
13108 | CC(=O)Nc1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 | [C][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O][=C][S][Ring1][P] | c16cc2cc(Cl)ccc2oc1=O.c15nc6cs1.CC4=O.N45 |
13110 | Cn1c(=O)n(CCOc2ccccc2)c2ccccc21 | [C][N][C][=Branch1][C][=O][N][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | Cn1c(=O)n5c2ccccc21.c14ccccc1.C5C3.O34 |
13111 | CC(=O)C1C(=O)NC23CCCCC2C1c1ccccc1O3 | [C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=C] | C14C(=O)NC23CCCCC2C1c1ccccc1O3.CC4=O |
13112 | O=S(=O)(c1cccs1)N1CCCc2cccc(O)c21 | [O][=S][=Branch1][C][=O][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][Ring1][O] | N13CCCc2cccc(O)c21.O=S3(=O)c1cccs1 |
13114 | Cc1c(NC(=O)OCc2ccccc2)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch1][C] | Cc1c6c(=O)n8n1C.c17ccccc1.c18ccccc1.C34=O.N46.O35.C57 |
13115 | CC(=O)Oc1ccc(C2CC(=O)Nc3c2ccc2ccccc32)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c15ccc(C2CC(=O)Nc3c2ccc2ccccc32)cc1.CC4=O.O45 |
13116 | COC(=O)C1=C(C)N(C)C(=O)NC1c1cccs1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][S][Ring1][Branch1] | C2(=O)C1=C(C)N(C)C(=O)NC13.c13cccs1.CO2 |
13117 | COc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | c14ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc15.CO4.O5C |
13119 | O=c1[nH]c2cc3ccccc3c(=O)n2c2ccccc12 | [O][=C][NH1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | O=c1[nH]c2cc3ccccc3c(=O)n2c2ccccc12 |
13120 | Cn1c2ccccc2c(=O)n2c(=O)c3ccccc3cc12 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][Ring1][O] | Cn1c2ccccc2c(=O)n2c(=O)c3ccccc3cc12 |
13121 | Cc1ccc(C2CC(=O)Nc3sc(C(N)=O)c(N)c32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][N][C][=Ring1][=Branch2][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(C2CC(=O)Nc3sc4c(N)c32)cc1.C4(N)=O |
13122 | Cn1c(=O)[nH]c(=O)c2[nH]c(NCc3ccco3)nc21 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][NH1][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][=Ring1][N][Ring2][Ring1][C] | Cn1c(=O)[nH]c(=O)c2[nH]c5nc21.c16ccco1.N45.C46 |
13123 | CC(=O)Nc1ccc(OCc2c(C)noc2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=C][Ring1][#C] | c16ccc5cc1.c17c(C)noc1C.CC3=O.N36.O45.C47 |
13127 | Cc1ccc(OCC(=O)NCC2CCCO2)c(Br)c1 | [C][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][Branch1][C][Br][=C][Ring2][Ring1][C] | Cc1ccc5c(Br)c1.C17CCCO1.C4C3=O.O45.N36.C67 |
13128 | O=C(c1ccccc1Br)N1CCN(c2ccccc2)CC1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | c15ccccc1Br.N13CCN4CC1.c14ccccc1.O=C35 |
13132 | Cc1nn2c3ccccc3n(Cc3ccccc3)c2nc1=O | [C][C][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=N][C][Ring2][Ring1][Ring2][=O] | Cc1nn2c3ccccc3n4c2nc1=O.c15ccccc1.C45 |
13133 | CCOC(=O)Cn1c2ccccc2n2nc(C)nc12 | [C][C][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][C][C][N][=C][Ring1][=N][Ring1][=Branch1] | n15c2ccccc2n2nc(C)nc12.C3(=O)C5.CC4.O34 |
13134 | Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][C] | Cc1ccc(S5(=O)=O)cc1.C4C3=O.N45C.C16CC1.N36 |
13135 | CS(=O)(=O)N(CC(N)=O)c1cc(C(F)(F)F)ccc1Cl | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl] | c14cc5ccc1Cl.CS3(=O)=O.C2C(N)=O.C5(F)(F)F.N234 |
13136 | COc1ccccc1N(CC(N)=O)S(=O)(=O)c1ccc(C)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(C)cc1.c12ccccc15.C3C(N)=O.N345.CO2 |
13137 | CCOc1ccc(N(C(C)C(N)=O)S(C)(=O)=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][Branch1][#Branch2][C][Branch1][C][C][C][Branch1][C][N][=O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][S] | c13ccc6cc1.C4(C)C(N)=O.S5(C)(=O)=O.N456.CC2.O23 |
13139 | CCOC(=O)CSc1nc2cc(OCC)ccc2n1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][Ring2][O][C][C][=C][C][=C][Ring1][=Branch2][N][Ring1][N][C] | c18nc2cc6ccc2n1C.C3(=O)C7.CC4.O34.S78.O56.C5C |
13140 | COc1ccc2c(c1)nc(SCC(O)c1ccccc1)n2C | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][#C][S][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][S][C] | c13ccc2c(c1)nc6n2C.c15ccccc1.C4C5O.CO3.S46 |
13141 | CC(=O)Nc1ccc2c(c1)nc(C)n2Cc1ccccc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][C][N][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc2c(c1)nc(C)n25.c16ccccc1.CC3=O.N34.C56 |
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