ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
30123 | CCOC(=O)COc1ccc2c(C)cc(=O)oc2c1C(C)=O | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N][C][Branch1][C][C][=O] | c16ccc2c(C)cc(=O)oc2c17.C3(=O)C5.C7(C)=O.CC4.O34.O56 |
30124 | CS(=O)(=O)NCc1ccc(Cl)cc1Cl | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.CS3(=O)=O.N23.C24 |
30127 | COc1ccc(OC)c(N(CC(=O)NC2CC2)S(C)(=O)=O)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring2][Ring1][Ring2] | c14ccc5c8c1.C6C3=O.S7(C)(=O)=O.N678.C19CC1.CO4.O5C.N39 |
30128 | CCc1ccccc1N(CC(=O)NCc1ccncc1)S(C)(=O)=O | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c17ccccc16.c18ccncc1.C3C2=O.S5(C)(=O)=O.N356.CC7.N24.C48 |
30129 | CS(=O)(=O)N(CC(=O)NC1CC1)c1cccc(C(F)(F)F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | c15cccc7c1.CS4(=O)=O.C3C2=O.C7(F)(F)F.N345.C16CC1.N26 |
30130 | Cc1cccc(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][=Branch1] | Cc1cccc6c1.c17ccc(F)cc1.C4C3=O.S5(C)(=O)=O.N456.N37 |
30131 | Cc1ccc(SCC(=O)Nc2ccc(C(N)=O)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | Cc1ccc7cc1.c15ccc6cc1.C4C3=O.C6(N)=O.S47.N35 |
30132 | CCOc1ccc(-n2nc3ccc(NC(=O)C(C)C)cc3n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][N][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][Ring1][N][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | n18nc2ccc7cc2n1.c16ccc8cc1.C4(=O)C(C)C.CC5.O56.N47 |
30134 | Cc1cc(S(=O)(=O)Nc2ccccn2)c(Cl)cc1Cl | [C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][C][Cl][C][=C][Ring1][P][Cl] | Cc1cc(S3(=O)=O)c(Cl)cc1Cl.c14ccccn1.N34 |
30135 | Cc1nc2ccccn2c1C(=O)NCc1ccccc1 | [C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2ccccn2c15.c16ccccc1.C35=O.N34.C46 |
30136 | CCc1ccccc1N(CC(=O)NC1CC1)S(C)(=O)=O | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Branch1][C][C][=Branch1][C][=O][=O] | c17ccccc15.C3C2=O.S4(C)(=O)=O.N345.C16CC1.CC7.N26 |
30137 | COc1ccc(C(=O)NC(C(C)C)C(C)C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=C][Ring1][S][O][C] | c13ccc6cc14.C5(C(C)C)C(C)C.C26=O.CO3.N25.O4C |
30138 | O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl][N][C][C][O][C][C][Ring1][=Branch1] | O=S2(=O)c1ccc(Cl)c(Cl)c1Cl.N12CCOCC1 |
30139 | CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(Cl)cc1 | [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][Branch1][C][Cl][C][=C][Ring1][#Branch1] | N12CCCCCC1.c15ccc(Cl)cc1.CS4(=O)=O.C3C2=O.N345 |
30140 | Cc1c(Cl)ccc(S(=O)(=O)NCc2ccco2)c1Cl | [C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][P][Cl] | Cc1c(Cl)ccc(S4(=O)=O)c1Cl.c15ccco1.N34.C35 |
30141 | COc1c(Cl)cc(C(=O)NCc2cccnc2)cc1Cl | [C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P][Cl] | c14c(Cl)cc6cc1Cl.c17cccnc1.C36=O.CO4.N35.C57 |
30142 | Cc1cc(C)n(S(=O)(=O)c2ccc(Cl)cc2C)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][=Ring1][P] | Cc1cc(C)n(S(=O)(=O)c2ccc(Cl)cc2C)n1 |
30144 | COc1ccccc1OCC(=O)NCc1ccc(Cl)cc1Cl | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c17ccc(Cl)cc1Cl.c14ccccc15.C3C2=O.CO4.O35.N26.C67 |
30145 | Cc1cccc(S(=O)(=O)Nc2ccc(-c3csc(C)n3)cc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][=C][Ring2][Ring1][=Branch1] | Cc1cccc(S4(=O)=O)c1.c15ccc6cc1.c16csc(C)n1.N45 |
30146 | O=C(NCc1ccccn1)c1ccc(CSc2ccccc2)cc1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | c16ccc8cc1.c17ccccn1.c19ccccc1.O=C36.N34.C47.C58.S59 |
30147 | O=C(COc1ccc(Cl)cc1)NC1CC2CCC1C2 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1] | c15ccc(Cl)cc1.C16CC2CCC1C2.O=C3C4.O45.N36 |
30148 | CSc1ccccc1NS(=O)(=O)c1cccs1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | S2(=O)(=O)c1cccs1.c14ccccc13.CS4.N23 |
30149 | CCC(=O)Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1C | [C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=Branch1][C][=O][O][C][Ring1][O][=C][Ring1][#C][C] | c14ccc2c5cc(=O)oc2c1C.CCC3=O.C5(F)(F)F.O34 |
30150 | CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccc(F)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16ccccc1F.c15ccc(F)cc1.CS4(=O)=O.C3C2=O.N345.N26 |
30151 | NC(=O)COc1ccc(C=c2sc3n(c2=O)CCN=3)cc1 | [N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][P][C][=C][S][C][N][Branch1][Branch1][C][Ring1][Branch1][=O][C][C][N][=Ring1][#Branch1][C][=C][Ring1][S] | c15ccc(C=c2sc3n(c2=O)CCN=3)cc1.NC(=O)C4.O45 |
30152 | Cc1cc(Cl)ccc1NC(=O)C1COc2ccccc2O1 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.Cc1cc(Cl)ccc14.C35=O.N34 |
30153 | CC(C)C(=O)Nc1ccc(-c2nc3cccnc3o2)cc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring1][#C] | c16nc2cccnc2o1.c15ccc6cc1.CC(C)C4=O.N45 |
30154 | COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c13ccc(S5(=O)=O)cc1.c16ccc4c(Cl)c1.CO3.N56.O4C |
30156 | COc1c(Cl)cc(C(=O)NCc2ccco2)cc1Cl | [C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][S][Cl] | c14c(Cl)cc6cc1Cl.c17ccco1.C36=O.CO4.N35.C57 |
30158 | COc1ccc(-c2nc3ccccc3n2C)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring1][S][O][C] | c16nc2ccccc2n1C.c14ccc6cc15.CO4.O5C |
30159 | CC1CCN(C(=O)CN(c2ccccc2)S(C)(=O)=O)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring2][Ring1][Ring2] | CC1CCN3CC1.c16ccccc1.C3(=O)C4.S5(C)(=O)=O.N456 |
30160 | Cc1ccoc1C(=O)Nc1cccc(OC(C)C)c1 | [C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2] | c15cccc4c1.Cc1ccoc16.C26=O.C3(C)C.N25.O34 |
30161 | COc1cc(NC(=O)CCC2CCCC2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | c14cc7cc5c16.C3(=O)CC8.C18CCCC1.CO4.N37.O5C.O6C |
30163 | CCc1cc(=O)oc2c(C)c(OC(C)C(=O)OC)ccc12 | [C][C][C][=C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][Branch1][N][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=C] | c16cc(=O)oc2c(C)c5ccc12.C4(C)C3=O.CC6.O45.O3C |
30164 | CC(C)CNC(=O)c1ccc(NC(=O)c2cccs2)cc1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C] | c18ccc6cc1.c17cccs1.CC(C)C5.C38=O.C47=O.N35.N46 |
30165 | Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc(S6(=O)=O)cc1.c17ccccc1.C4C3=O.N46C.N35C.C57 |
30166 | COC(=O)c1ccc(-n2nc(C)c3c(C)cc(=O)oc32)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=C][Branch1][C][C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][Ring1][N][C][=C][Ring2][Ring1][C] | n16nc(C)c2c(C)cc(=O)oc21.c15ccc6cc1.C45=O.CO4 |
30167 | COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCC4)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][=Branch2][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1] | c18sc2nc3c(cc2c1N)CCC3.c16ccc7cc1.C58=O.CO6.N57 |
30169 | O=C(Nc1cccc(Br)c1)c1ccncc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] | c13cccc(Br)c1.c14ccncc1.O=C24.N23 |
30170 | CC(Oc1ccccc1)C(=O)NCc1ccc(F)cc1 | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16ccc(F)cc1.c14ccccc1.CC3C2=O.O34.N25.C56 |
30172 | COc1cccc(NC(=O)C(C)Oc2ccccc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | c15cccc7c1.c16ccccc1.C3(=O)C4C.CO5.N37.O46 |
30173 | O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1 | [O][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1] | c13ccc(Cl)c5c1.c14ccncc1.C5(F)(F)F.O=C24.N23 |
30174 | Clc1ccc(-c2nnc3ccc(-n4cccn4)nn23)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=N][N][Ring1][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c16nnc2ccc5nn12.Clc1ccc6cc1.n15cccn1 |
30175 | CC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17ccc8cc1.c16ccccc1.C4(=O)C5C.CC3=O.N37.N48.O56 |
30176 | Clc1ccc(-c2nnc3ccc(N4CCOCC4)nn23)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][N][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][N][Ring1][#C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c16nnc2ccc5nn12.Clc1ccc6cc1.N15CCOCC1 |
30178 | CC(Oc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c16ccc2c(c1)OCCO2.c15ccccc1.CC4C3=O.O45.N36 |
30179 | O=C(Nc1ccccc1Br)c1ccncc1 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][C][=N][C][=C][Ring1][=Branch1] | c13ccccc1Br.c14ccncc1.O=C24.N23 |
30181 | COc1ccc(NC(=O)C(C)Oc2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] | c15ccc8cc17.c16ccccc1.C3(=O)C4C.CO5.N38.O46.O7C |
30182 | CCC(CC)C(=O)Nc1cc(OC)cc(OC)c1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c15cc3cc4c1.CCC(CC)C2=O.N25.O3C.O4C |
30183 | COc1ccc(NC(=O)c2ccncc2)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][O][C] | c14ccc6cc15.c17ccncc1.C37=O.CO4.N36.O5C |
30184 | CC(Oc1ccccc1)C(=O)NCc1ccccc1Cl | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c16ccccc1Cl.c14ccccc1.CC3C2=O.O34.N25.C56 |
30185 | Cc1ccccc1NC(=O)C12CCC(C)(C(=O)O1)C2(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C] | C125CCC(C)(C(=O)O1)C2(C)C.Cc1ccccc14.C35=O.N34 |
30186 | Cc1ccc(C(=O)COC(=O)c2ccco2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][P][C] | Cc1ccc6cc1C.c15ccco1.C6(=O)C4.C35=O.O34 |
30188 | O=C(COC(=O)c1cnccn1)c1ccc(Br)cc1 | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c15ccc(Br)cc1.c14cnccn1.O=C5C3.C24=O.O23 |
30189 | Cc1ccc(C(=O)COC(=O)c2ccncc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C] | Cc1ccc5cc1C.c16ccncc1.C5(=O)C4.C36=O.O34 |
30191 | CN(C(=O)CCc1nc2ccccc2s1)c1ccccc1 | [C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nc2ccccc2s1.c14ccccc1.C3(=O)CC5.CN34 |
30192 | CC12CCC(C(=O)N3CCCc4ccccc43)(CC1=O)C2(C)C | [C][C][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][Branch1][#Branch1][C][C][Ring2][Ring1][C][=O][C][Ring2][Ring1][Ring2][Branch1][C][C][C] | CC12CCC6(CC1=O)C2(C)C.N15CCCc2ccccc21.C56=O |
30194 | Cc1ccc(C(=O)COC(=O)c2cnccn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc6cc1.c15cnccn1.C6(=O)C4.C35=O.O34 |
30195 | CC12CCC(C(=O)Nc3cccc(C(F)(F)F)c3)(OC1=O)C2(C)C | [C][C][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][Branch1][#Branch1][O][C][Ring2][Ring1][Ring1][=O][C][Ring2][Ring1][Branch1][Branch1][C][C][C] | CC12CCC6(OC1=O)C2(C)C.c15cccc7c1.C7(F)(F)F.C46=O.N45 |
30196 | CC12CCC(C(=O)NCc3ccccc3)(OC1=O)C2(C)C | [C][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch1][O][C][Ring1][S][=O][C][Ring2][Ring1][C][Branch1][C][C][C] | CC12CCC6(OC1=O)C2(C)C.c17ccccc1.C46=O.N45.C57 |
30197 | CCOc1ccc(CC(=O)NCCc2ccccc2)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c15ccc7cc1.c18ccccc1.C7C3=O.C6C8.CC4.O45.N36 |
30198 | N#Cc1cccc(Oc2cccc3cccnc23)c1C#N | [N][#C][C][=C][C][=C][C][Branch1][S][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring1][P][C][#N] | N#Cc1cccc4c1C#N.c15cccc2cccnc12.O45 |
30199 | CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(C)c(C)c2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c18ccc(C)c(C)c1.c16ccc7cc1.C5C8=O.CC4=O.C37=O.N46.O35 |
30200 | O=C(COC(=O)c1cnccn1)c1ccc(Cl)cc1 | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.c14cnccn1.O=C5C3.C24=O.O23 |
30201 | CCCC(=O)Nc1cccc(C(=O)Nc2nccs2)c1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][Ring1][=C] | c16cccc7c1.CCCC3=O.c15nccs1.C47=O.N36.N45 |
30202 | COc1ccc(-c2csc(Nc3ccccn3)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C][O][C] | c14ccc8cc15.c18csc6n1.c17ccccn1.CO4.N67.O5C |
30203 | CS(=O)(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)c1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c19ccc8cc1.c16ccccc1.CS5(=O)=O.N456.C38=O.C17CC1.C49.N37 |
30205 | CS(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] | c13ccc(Cl)c4c1.CS2(=O)=O.C4(F)(F)F.N23 |
30207 | COc1ccc(S(=O)(=O)NCc2ccccc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | c13ccc(S5(=O)=O)cc1.c16ccccc1C.CO3.N45.C46 |
30208 | COc1ccc(NC(=O)C(OC)c2ccccc2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][Cl] | c15ccc6cc1Cl.c17ccccc1.C3(=O)C47.CO5.N36.O4C |
30209 | COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | c13ccc(S5(=O)=O)cc14.c16ccc7cc1.C7(N)=O.CO3.N56.O4C |
30210 | N#Cc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | N#Cc1ccccc14.c16nnnn15.c15ccccc1.C2(=O)C3.N24.S36 |
30212 | CN(c1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccccc1 | [C][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c15ccc7cc1.CN45.C37=O.C16CC1.N36 |
30213 | COc1ccc(CNC(=O)CSc2ccc(C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c14ccc7cc1.c18ccc(C)cc1.C3(=O)C6.CO4.C57.N35.S68 |
30214 | COc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][C][C][#N][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c13ccc(S4(=O)=O)cc1.c15ccc6cc1.C6C#N.CO3.N45 |
30215 | O=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1ccccc1 | [O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cn6nc17.c16ccccc1.c17ccccc1.c14nccs1.O=C35.N34 |
30216 | CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccccc1F | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16ccccc15.c17ccccc1F.CC4(C)C.C26=O.C37=O.N24.N35 |
30217 | COc1ccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c16ccc2c(C)cc(=O)oc2c1.c15ccc7cc1.C47=O.CO5.N46 |
30218 | CNC(=O)Nc1ccccc1C(=O)N1CCCCC1 | [C][N][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] | c15ccccc16.N14CCCCC1.C23=O.C46=O.CN2.N35 |
30220 | CC(=O)Nc1cccc(NC(=O)CSc2ccccn2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][P] | c16cccc7c1.c18ccccn1.C4(=O)C5.CC3=O.N36.N47.S58 |
30221 | CC(=O)Nc1ccc(C(=O)OC(C)C(=O)c2ccc(C)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c16ccc7cc1.c18ccc(C)cc1.C5(C)C8=O.CC4=O.C37=O.N46.O35 |
30222 | CC(=O)Oc1ccc2nc(-c3cccs3)oc(=O)c2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][C][=Branch1][C][=O][C][Ring1][N][=C][Ring1][S] | c15ccc2nc6oc(=O)c2c1.c16cccs1.CC4=O.O45 |
30223 | CC1Oc2ccccc2OC1C(=O)NCc1ccccc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC1Oc2ccccc2OC15.c16ccccc1.C35=O.N34.C46 |
30224 | CCC(=O)Nc1ccccc1C(=O)N1CCCCC1 | [C][C][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] | c14ccccc15.N13CCCCC1.CCC2=O.C35=O.N24 |
30226 | Cc1cc(=O)oc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][=C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][Ring2] | Cc1cc(=O)oc2cc6ccc12.c17cc2ccccc2oc1=O.C57=O.N56 |
30229 | O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1CO | [O][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][O] | O=c1oc2ccccc2cc15.c15nn4cc13.c14ccccc1.C3O |
30231 | Cc1c(C)c2ccc(OCC(=O)OC(C)C)cc2oc1=O | [C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][=N][O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring1][=C][O][C][Ring2][Ring1][Ring1][=O] | Cc1c(C)c2ccc6cc2oc1=O.C4C3=O.C5(C)C.O46.O35 |
30232 | O=C(c1cc(F)cc(F)c1)n1cc(Br)cn1 | [O][=C][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1] | O=C2n1cc(Br)cn1.c12cc(F)cc(F)c1 |
30233 | CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cn6nc17.c16ccccc1.c17ccccc1.C35=O.CC4.O34 |
30235 | COc1ccc2c(c1)CN(c1cccc(C(C)=O)c1)CO2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][C][O][Ring1][S] | c13ccc2c(c1)CN4CO2.c14cccc5c1.C5(C)=O.CO3 |
30237 | CC(Sc1ccc(Cl)cc1)C(=O)NCc1cccnc1 | [C][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c16ccc(Cl)cc1.c15cccnc1.CC4C2=O.S46.N23.C35 |
30238 | Cc1cc(NC(=O)C2COc3ccccc3O2)ccc1Br | [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][=C][Ring2][Ring1][Ring1][Br] | C16COc2ccccc2O1.Cc1cc5ccc1Br.C46=O.N45 |
30239 | COc1ccc(OCC(=O)NC(C(C)C)C(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C] | c14ccc5cc1.C6(C(C)C)C(C)C.C3C2=O.CO4.O35.N26 |
30240 | CCN(CC)S(=O)(=O)c1cc(Br)ccc1OC | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C] | S5(=O)(=O)c1cc(Br)ccc12.N345.CC3.C4C.O2C |
30241 | CC(Sc1ccc(Cl)cc1)C(=O)NC1CC1 | [C][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] | c15ccc(Cl)cc1.CC3C2=O.C14CC1.S35.N24 |
30242 | O=C(CCSc1ccc(Cl)cc1)Nc1cccnc1 | [O][=C][Branch1][#C][C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15ccc(Cl)cc1.c14cccnc1.O=C2CC3.S35.N24 |
30243 | CS(=O)(=O)N(CC(=O)NC1CC1)c1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.CS4(=O)=O.C3C2=O.N345.C16CC1.N26 |
30244 | O=C(CSc1ccc(Cl)cc1)NCC1CCCO1 | [O][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][C][C][O][Ring1][Branch1] | c16ccc(Cl)cc1.C15CCCO1.O=C2C4.S46.N23.C35 |
30245 | CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1 | [C][C][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] | c15ccc(S4(=O)=O)cc1.c16ccccc1.CC5.N34.C36 |
30248 | CS(=O)(=O)N(CC(=O)NC1CC1)c1cccc2ccccc12 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c16cccc2ccccc12.CS5(=O)=O.C4C3=O.N456.C17CC1.N37 |
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