ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
37178 | CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 | [C][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(F)cc1.c15ccccc1.C2(=O)C3.N345.CN2 |
37179 | CSc1ccc(S(=O)(=O)N2CCCCC2)cc1 | [C][S][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] | c14ccc(S3(=O)=O)cc1.N13CCCCC1.CS4 |
37180 | Cc1cc(C)cc(NS(=O)(=O)c2cc(C(N)=O)ccc2C)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | S3(=O)(=O)c1cc5ccc1C.Cc1cc4cc(C)c1.C5(N)=O.N34 |
37181 | CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc(F)cc1.c14ccccc1.CS3(=O)=O.N234.C25 |
37182 | CS(=O)(=O)N(CC(N)=O)c1ccc2c(c1)OCO2 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.CS4(=O)=O.C3C(N)=O.N345 |
37183 | CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc2c(c1)OCO2 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.N13CCOCC1.CS5(=O)=O.C4C3=O.N456 |
37184 | CS(=O)(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc7cc1.C16CCCCC1.CS4(=O)=O.C37=O.N45.N36 |
37185 | C=CCN(c1ccc(C(N)=O)cc1)S(C)(=O)=O | [C][=C][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c14ccc5cc1.S3(C)(=O)=O.C=CC2.N234.C5(N)=O |
37186 | Cc1cc(C)cc(N(C(C)C(=O)N2CCCCC2)S(C)(=O)=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][N][N][Branch1][P][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][=Branch1] | Cc1cc6cc(C)c1.N13CCCCC1.C4(C)C3=O.S5(C)(=O)=O.N456 |
37187 | CNC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][N][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cccc6c1.C2(=O)C3.S4(C)(=O)=O.N345.C6(C)=O.CN2 |
37189 | COc1ccc(OC)c(NS(=O)(=O)c2ccc(SC)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring2] | S5(=O)(=O)c1ccc7cc1.c13ccc4c6c1.CO3.O4C.N56.S7C |
37190 | CC(C)(C)NC(=O)c1ccccc1NS(C)(=O)=O | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccccc15.CC3(C)C.S4(C)(=O)=O.C26=O.N23.N45 |
37192 | O=C(CSc1ncccn1)Nc1cccc(Cl)c1Cl | [O][=C][Branch1][O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] | c14cccc(Cl)c1Cl.c15ncccn1.O=C2C3.S35.N24 |
37193 | CSc1ccccc1C(=O)NCc1ccccc1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc14.c15ccccc1.C24=O.CS6.N23.C35 |
37194 | COC(=O)C(C)N(c1ccc(C)c(C)c1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(C)c(C)c1.C2(=O)C3C.S4(C)(=O)=O.N345.CO2 |
37195 | Cc1cccc(N(Cc2ccccc2F)S(C)(=O)=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Ring1] | Cc1cccc5c1.c16ccccc1F.S4(C)(=O)=O.N345.C36 |
37198 | COc1ccc(N(CC(=O)NC2CC2)S(C)(=O)=O)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][C][Cl] | c14ccc7cc1Cl.C5C3=O.S6(C)(=O)=O.N567.C18CC1.CO4.N38 |
37199 | CC(C)C(NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(C)C | [C][C][Branch1][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] | N15C(=O)c2ccccc2S1(=O)=O.CC(C)C4C(C)C.C3(=O)C5.N34 |
37200 | COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][Cl] | c13ccc(S5(=O)=O)cc1Cl.c16ccccc1.N45C.CO3.C46 |
37201 | COc1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | S5(=O)(=O)c1ccc4c(Cl)c1.c13ccc6cc1.CO3.N56.O4C |
37202 | CCC(C)NC(=O)c1ccccc1NS(C)(=O)=O | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccccc15.CCC3C.S4(C)(=O)=O.C26=O.N23.N45 |
37203 | NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | S3(=O)(=O)c1ccccc1.c15ccc4cc1.NC5=O.N34 |
37204 | COc1ccc(S(=O)(=O)NC(C)(C)C)cc1Cl | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][Cl] | c12ccc(S4(=O)=O)cc1Cl.C3(C)(C)C.CO2.N34 |
37205 | COC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | S4(=O)(=O)c1ccccc1.c16ccc5cc1.C36=O.CO3.N45 |
37206 | Cc1ccccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | Cc1ccccc15.N13CCN6CC1.c16ccc(F)cc1.C4C3=O.O45 |
37207 | COc1ccccc1OCC(=O)NC1CC2CCC1C2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1] | c15ccccc16.C17CC2CCC1C2.C4C3=O.CO5.O46.N37 |
37208 | Cc1ccc(N(CC(=O)N2CCCCCC2)S(C)(=O)=O)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6c(C)c1.N13CCCCCC1.C4C3=O.S5(C)(=O)=O.N456 |
37209 | O=C(Cn1ccc2ccccc21)Nc1ccccn1 | [O][=C][Branch1][#C][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | n15ccc2ccccc21.c14ccccn1.O=C3C5.N34 |
37210 | COC(=O)c1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][C] | c18cccc7c1C.c19cc5cc6c1.C38=O.C49=O.CO3.N47.O5C.O6C |
37212 | COc1cc(OC)cc(C(=O)Nc2ccccc2SC)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Ring2][Ring1][Ring1] | c14cc5cc7c1.c16ccccc18.C37=O.CO4.O5C.N36.S8C |
37215 | CN(c1cccc(NC(=O)c2ccco2)c1)S(C)(=O)=O | [C][N][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cccc6c1.c17ccco1.S4(C)(=O)=O.CN45.C37=O.N36 |
37216 | COc1ccccc1C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][N] | c13ccccc17.c15cccc6c1.S4(C)(=O)=O.C27=O.N46C.CO3.N25 |
37218 | COc1cc(OC)cc(C(=O)NC2CC3CCC2C3)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][=C][Ring2][Ring1][C] | c15cc6cc8c1.C17CC2CCC1C2.C48=O.CO5.O6C.N47 |
37219 | COC(=O)c1ccc(C)c(NC(=O)c2cc(OC)cc(OC)c2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | c18ccc(C)c7c1.c19cc5cc6c1.C38=O.C49=O.CO3.N47.O5C.O6C |
37220 | CC(C(=O)N1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O | [C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(Cl)cc1.N12CCCCC1.CC3C2=O.S4(C)(=O)=O.N345 |
37221 | Cc1cc(C)cc(N(C(C)C(=O)N2CCOCC2)S(C)(=O)=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][N][N][Branch1][P][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][=Branch1] | Cc1cc6cc(C)c1.N13CCOCC1.C4(C)C3=O.S5(C)(=O)=O.N456 |
37222 | C=CCN(c1ccc(C(=O)NC)cc1)S(C)(=O)=O | [C][=C][C][N][Branch1][P][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][Ring1][#Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc6cc1.S4(C)(=O)=O.C=CC3.N345.C26=O.N2C |
37223 | CS(=O)(=O)Nc1ccccc1C(=O)NC1CCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | c14ccccc16.C15CCCC1.CS3(=O)=O.C26=O.N34.N25 |
37224 | Cc1ccc(N(C(C)C(=O)N2CCOCC2)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][P][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc6cc1.N13CCOCC1.C4(C)C3=O.S5(C)(=O)=O.N456 |
37226 | Cc1ccc(NS(=O)(=O)c2cc(C(N)=O)ccc2Cl)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][Ring1][=Branch2][Cl][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | S3(=O)(=O)c1cc5ccc1Cl.Cc1ccc4c(C)c1.C5(N)=O.N34 |
37227 | CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(F)c(Cl)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(F)c(Cl)c1.N12CCCC1.CS4(=O)=O.C3C2=O.N345 |
37228 | CSc1ccc(S(=O)(=O)NCC(C)C)cc1 | [C][S][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=C][Ring1][=C] | c14ccc(S3(=O)=O)cc1.C2C(C)C.CS4.N23 |
37230 | CC(C(=O)N1CCOCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O | [C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(Cl)cc1.N12CCOCC1.CC3C2=O.S4(C)(=O)=O.N345 |
37231 | O=C(Cn1ccc2ccccc21)Nc1cccnc1 | [O][=C][Branch1][#C][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | n15ccc2ccccc21.c14cccnc1.O=C3C5.N34 |
37232 | CNC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(Cl)cc1Cl.C2(=O)C3.S4(C)(=O)=O.N345.CN2 |
37233 | COC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccc2c(c1)OCO2.C3(=O)C4.S5(C)(=O)=O.N456.CO3 |
37234 | CCOC(=O)C(C)N1c2cccc3cccc(c23)S1(=O)=O | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][S][Ring1][N][=Branch1][C][=O][=O] | N16c2cccc3cccc(c23)S1(=O)=O.C4(=O)C6C.CC5.O45 |
37236 | Cc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch1] | N46S(=O)(=O)N(C)C.Cc1ccc5cc1.c16ccccc1.C3(=O)C4.N35 |
37237 | CC(C(=O)NC1CCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O | [C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(Cl)cc1.CC3C2=O.C16CCCC1.S4(C)(=O)=O.N345.N26 |
37238 | NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 | [N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(F)cc1.c14ccccc1.NC(=O)C2.N234 |
37239 | CNC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(Br)c(C)c1.C2(=O)C3.S4(C)(=O)=O.N345.CN2 |
37241 | COC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][S][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cc(Cl)c(Cl)cc1Cl.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
37242 | CCOC(=O)c1c(C)n(C(C)C)c2ccc(OC)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][Ring1][O][C][C][=C][Ring1][#C][Ring1][Branch2] | c16c(C)n7c2ccc5cc12.C36=O.C7(C)C.CC4.O34.O5C |
37243 | COc1ccc(NS(=O)(=O)c2ccc(SC)cc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | S5(=O)(=O)c1ccc7cc1.c13ccc6c4c1.CO3.N56.S7C.O4C |
37244 | CCOC(=O)c1ccc(NC(=O)CSc2ncccn2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | c18ccc7cc1.c19ncccn1.C4(=O)C6.C38=O.CC5.O35.N47.S69 |
37245 | COC(=O)C(C)N(c1ccc(C)cc1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(C)cc1.C2(=O)C3C.S4(C)(=O)=O.N345.CO2 |
37247 | CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | S4(=O)(=O)c1ccccc1.c16ccc5cc1.C36=O.CN3.N45 |
37248 | CS(=O)(=O)N(CC(N)=O)c1ccc(F)c(Cl)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(F)c(Cl)c1.CS3(=O)=O.C2C(N)=O.N234 |
37249 | COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 | [C][O][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(F)cc1.c15ccccc1.C2(=O)C3.N345.CO2 |
37251 | C=CCN(c1ccc(C(=O)OCC)cc1)S(C)(=O)=O | [C][=C][C][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][Ring1][O][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccc7cc1.S5(C)(=O)=O.C=CC4.N456.C27=O.O23.C3C |
37252 | COC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(Br)c(C)c1.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
37256 | COC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cccc6c1.C2(=O)C3.S4(C)(=O)=O.N345.C6(C)=O.CO2 |
37257 | CN(C)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccc2c(c1)OCO2.C3(=O)C4.S5(C)(=O)=O.CN3C.N456 |
37258 | COc1cccc(NS(=O)(=O)c2ccc(SC)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][C] | S4(=O)(=O)c1ccc6cc1.c13cccc5c1.CO3.N45.S6C |
37259 | CC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | S5(=O)(=O)c1ccccc1.c17ccc6cc1.CC4C.C37=O.N34.N56 |
37261 | CS(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc2c(c1)OCO2 | [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][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.C17CCCC1.CS5(=O)=O.C4C3=O.N456.N37 |
37262 | O=C(c1ccccc1NS(=O)(=O)c1ccccc1)N1CCCCC1 | [O][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.c15ccccc14.N12CCCCC1.O=C25.N34 |
37263 | CS(=O)(=O)N(CC(N)=O)c1cc(Cl)c(Cl)cc1Cl | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl] | c14cc(Cl)c(Cl)cc1Cl.CS3(=O)=O.C2C(N)=O.N234 |
37264 | Cc1ccc(C)c(NS(=O)(=O)c2cc(C(N)=O)ccc2C)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | S3(=O)(=O)c1cc5ccc1C.Cc1ccc(C)c4c1.C5(N)=O.N34 |
37266 | CCN(CC)S(=O)(=O)c1ccc(SC)cc1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2] | S4(=O)(=O)c1ccc5cc1.N234.CC2.C3C.S5C |
37267 | COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] | c16ccc(Cl)c(S4(=O)=O)c1.c15ccccc1.C36=O.CO3.N45 |
37268 | C=CCN(c1ccc(C(=O)Nc2cccc(C)c2)cc1)S(C)(=O)=O | [C][=C][C][N][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring1][S][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccc8cc1.c17cccc(C)c1.S5(C)(=O)=O.C=CC4.N456.C38=O.N37 |
37269 | O=C(NC1CCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | S4(=O)(=O)c1ccccc1.c17ccc5cc1.C16CCCC1.O=C37.N36.N45 |
37270 | COC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(Cl)cc1Cl.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
37271 | Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S4(=O)=O)cc1.c15ccccc16.C36=O.N3(C)C.N45 |
37272 | COC(=O)C(C)N(c1ccc(Cl)cc1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(Cl)cc1.C2(=O)C3C.S4(C)(=O)=O.N345.CO2 |
37273 | CC(C(=O)NC1CCCC1)N1c2cccc3cccc(c23)S1(=O)=O | [C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][S][Ring1][N][=Branch1][C][=O][=O] | N15c2cccc3cccc(c23)S1(=O)=O.CC5C4=O.C16CCCC1.N46 |
37274 | Cc1cccc(NS(=O)(=O)c2cc(C(N)=O)ccc2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | S3(=O)(=O)c1cc5ccc1C.Cc1cccc4c1.C5(N)=O.N34 |
37276 | CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | CN(C)S(=O)(=O)N34.c15ccccc1.c14ccccc1.C3C2=O.N25 |
37277 | Cc1ccccc1CN(c1ccccc1)S(C)(=O)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccccc15.c14ccccc1.S3(C)(=O)=O.N234.C25 |
37278 | COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] | c16ccc(C)c(S4(=O)=O)c1.c15ccccc1.C36=O.CO3.N45 |
37279 | CNC(=O)C(C)N(c1cc(C)cc(C)c1)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][#C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cc(C)cc(C)c1.C2(=O)C3C.S4(C)(=O)=O.N345.CN2 |
37280 | CCC(C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] | c17ccc(C)c(S5(=O)=O)c1.c16ccccc1.CCC4C.C37=O.N34.N56 |
37281 | CNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][N][Branch1][S][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cc(Cl)c(Cl)cc1Cl.C2(=O)C3.S4(C)(=O)=O.N345.CN2 |
37282 | C=CCN(c1ccc(C(=O)N2CCCCC2)cc1)S(C)(=O)=O | [C][=C][C][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccc7cc1.N13CCCCC1.S5(C)(=O)=O.C=CC4.N456.C37=O |
37283 | COC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(F)c(Cl)c1.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
37284 | COc1ccc(S(=O)(=O)N(C)c2ccc(C(N)=O)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c13ccc(S4(=O)=O)cc1.c15ccc6cc1.N45C.C6(N)=O.CO3 |
37285 | O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCCC1 | [O][=C][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][N][C][C][C][C][Ring1][Branch1] | S4(=O)(=O)c1ccccc1.c16ccc5cc1.N13CCCC1.O=C36.N45 |
37286 | CSc1ccc(S(=O)(=O)NCc2ccccc2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c16ccc(S4(=O)=O)cc1.c15ccccc1.CS6.N34.C35 |
37287 | COC(=O)C(C)N(c1cc(C)cc(C)c1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][#C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cc(C)cc(C)c1.C2(=O)C3C.S4(C)(=O)=O.N345.CO2 |
37288 | CC(C(N)=O)N1c2cccc3cccc(c23)S1(=O)=O | [C][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][S][Ring1][N][=Branch1][C][=O][=O] | N14c2cccc3cccc(c23)S1(=O)=O.CC4C(N)=O |
37289 | CSc1ccc(S(=O)(=O)N2CCOCC2)cc1 | [C][S][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] | c14ccc(S3(=O)=O)cc1.N13CCOCC1.CS4 |
37290 | COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1Cl | [C][O][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][Cl] | c14ccc(S6(=O)=O)cc1Cl.C5C3=O.N56C.C17CC1.CO4.N37 |
37291 | COCc1cc(C)n(CC(=O)Nc2ccccc2OC)c(=O)c1C#N | [C][O][C][C][C][=C][Branch1][C][C][N][Branch1][P][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring2][C][#N] | c18cc(C)n7c(=O)c1C#N.c16ccccc15.C7C3=O.CO4.C48.N36.O5C |
37295 | COc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | C4(=O)CN1C(=O)COc2ccc(Cl)cc21.c15ccc6cc1.CO5.N46 |
37296 | Cc1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N][=C][Ring2][Ring1][=Branch1] | C4(=O)CN1C(=O)COc2ccc(Cl)cc21.Cc1cccc5c1.N45 |
37297 | Cc1cccc(C)c1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N] | C3(=O)CN1C(=O)COc2ccc(Cl)cc21.Cc1cccc(C)c14.N34 |
37305 | O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccccc1 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C3CN1C(=O)COc2ccc(Cl)cc21.c14ccccc1.N34 |
37306 | COc1ccc(C)cc1S(=O)(=O)NC(C)c1ccccc1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12ccc(C)cc1S4(=O)=O.c15ccccc1.C35C.CO2.N34 |
37307 | COc1ccc(C)cc1S(=O)(=O)NCc1ccccc1Cl | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c12ccc(C)cc1S4(=O)=O.c15ccccc1Cl.CO2.N34.C35 |
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