ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
17212 | CN(C)C(=O)N1CCCC(C(=O)NC2CCCCC2)C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#C] | N14CCCC7C1.C16CCCCC1.CN3C.C34=O.C57=O.N56 |
17213 | CN(C)C(=O)N1CCCC(C(=O)NCc2cccs2)C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][#C] | N14CCCC7C1.c18cccs1.CN3C.C34=O.C57=O.N56.C68 |
17214 | Cc1ccc(CCNC(=O)C2CCCN(C(=O)N(C)C)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc8cc1.C17CCCN4C1.C8C6.C37=O.C45=O.N5(C)C.N36 |
17215 | CN(C)C(=O)N1CCCC(C(=O)NCCc2ccccc2)C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P] | N14CCCC7C1.c18ccccc1.CN3C.C34=O.C57=O.C6C8.N56 |
17216 | COc1ccc(OC2OC(CO)C(O)C(O)C2NC(C)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][Branch1] | C14OC8C(O)C(O)C17.c15ccc6cc1.C3(C)=O.CO5.O46.C8O.N37 |
17217 | CCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][P] | N15CCC6CC1.c17ccccc1Cl.CCS5(=O)=O.C36=O.N34.C47 |
17219 | CCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1 | [C][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][C][Ring1][S] | N14CCC6CC1.C15CCCCC1C.CCS4(=O)=O.C36=O.N35 |
17220 | CCS(=O)(=O)N1CCC(C(=O)NCC2CCCO2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][#C] | N15CCC6CC1.CCS5(=O)=O.C17CCCO1.C36=O.N34.C47 |
17221 | CCS(=O)(=O)N1CCC(C(=O)NC2CCCC(C)C2C)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C][Ring1][P] | C15CCCC(C)C1C.N14CCC6CC1.CCS4(=O)=O.C36=O.N35 |
17223 | O=C(NC(O)C(=O)c1ccccc1)c1ccccc1 | [O][=C][Branch2][Ring1][C][N][C][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.c14ccccc1.C3(O)C5=O.O=C24.N23 |
17224 | CCC(C)NC(=O)C1CCN(S(=O)(=O)CC)CC1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][Ring1][O] | C15CCN4CC1.S4(=O)(=O)CC.CCC3C.C25=O.N23 |
17225 | CN(C)C(=O)NC(Nc1ccccc1)C(Cl)(Cl)Cl | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][Branch1][C][Cl][Cl] | C45C(Cl)(Cl)Cl.c16ccccc1.CN2C.C23=O.N34.N56 |
17226 | CCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(C)cc2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C] | N15CCC6CC1.c17ccc(C)cc1.CCS5(=O)=O.C36=O.C4C7.N34 |
17227 | CCc1ccc(CNC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c17ccc8cc1.C16CCN5CC1.S5(=O)(=O)CC.C36=O.CC7.C48.N34 |
17228 | CCS(=O)(=O)N1CCC(C(=O)NCc2cccs2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][#C] | N15CCC6CC1.CCS5(=O)=O.c17cccs1.C36=O.N34.C47 |
17229 | CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][P] | N15CCC6CC1.c17ccc(C)cc1.CCS5(=O)=O.C36=O.N34.C47 |
17230 | CCS(=O)(=O)N1CCC(C(=O)NC(C)c2ccccc2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P] | N15CCC6CC1.c17ccccc1.CCS5(=O)=O.C36=O.C47C.N34 |
17233 | CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(OC)cc2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][C] | N16CCC7CC1.c18ccc4cc1.CCS6(=O)=O.C37=O.N35.C58.O4C |
17234 | CCS(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][S] | N15CCC6CC1.c17cccnc1.CCS5(=O)=O.C36=O.N34.C47 |
17235 | CCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1 | [C][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.CCS4(=O)=O.C36=O.N35 |
17236 | CCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2OC)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring2][Ring1][C] | N16CCC7CC1.c18ccccc14.CCS6(=O)=O.C37=O.N35.C58.O4C |
17237 | CCS(=O)(=O)N1CCC(C(=O)NCc2cccc(OC)c2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][C] | N16CCC7CC1.c18cccc4c1.CCS6(=O)=O.C37=O.N35.C58.O4C |
17238 | Cn1c(Nc2ccccc2Cl)cc(=O)n(C)c1=O | [C][N][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][S][=O] | Cn1c3cc(=O)n(C)c1=O.c14ccccc1Cl.N34 |
17239 | Cn1c(Nc2ccc(Br)cc2)cc(=O)n(C)c1=O | [C][N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][S][=O] | Cn1c3cc(=O)n(C)c1=O.c14ccc(Br)cc1.N34 |
17240 | CCS(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1 | [C][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.CCS5(=O)=O.C36=O.N34.C47 |
17242 | CCS(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C] | N14CCC5CC1.N13CCCCC1.CCS4(=O)=O.C35=O |
17244 | CN1C(=O)N(c2cccc(Cl)c2)C(C)(O)CC1(C)C | [C][N][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][O][C][C][Ring1][S][Branch1][C][C][C] | CN1C(=O)N3C(C)(O)CC1(C)C.c13cccc(Cl)c1 |
17245 | CCN1C(=O)N(c2ccc(C)cc2)C(C)(O)CC1(C)C | [C][C][N][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][O][C][C][Ring1][S][Branch1][C][C][C] | N13C(=O)N4C(C)(O)CC1(C)C.c14ccc(C)cc1.CC3 |
17246 | CCS(=O)(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring1][#C] | N14CCC5CC1.N13CCC(C)CC1.CCS4(=O)=O.C35=O |
17247 | Nc1ccc(C(=O)c2ccc3c(c2)OCCO3)cc1N | [N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][C][N] | c15ccc2c(c1)OCCO2.Nc1ccc4cc1N.C45=O |
17249 | CCCC(=O)Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 | [C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | N6C1=NS(=O)(=O)c2ccccc21.c15ccc6cc1.CCCC4=O.O45 |
17251 | O=C(Nc1ccc2c(c1)OCCO2)c1cc2ccccc2o1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c14ccc2c(c1)OCCO2.c15cc2ccccc2o1.O=C35.N34 |
17252 | CCC(=O)Nc1cccc(NC(=O)c2ccco2)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C] | c15cccc6c1.c17ccco1.CCC3=O.C47=O.N35.N46 |
17253 | CCOc1cccc(C(=O)Nc2cc(C)ccn2)c1 | [C][C][O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][=C][Ring1][S] | c15cccc7c1.c16cc(C)ccn1.C37=O.CC4.O45.N36 |
17254 | CCCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P] | N15CCC6CC1.CCCS5(=O)=O.c17ccccc1.C36=O.C4C7.N34 |
17255 | CCCS(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C] | N14CCC6CC1.CCCS4(=O)=O.C15CCCC1.C36=O.N35 |
17256 | CCCS(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][S] | N15CCC6CC1.CCCS5(=O)=O.c17cccnc1.C36=O.N34.C47 |
17257 | CCCS(=O)(=O)N1CCC(C(=O)NC2CC2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][Ring1][N] | N14CCC6CC1.CCCS4(=O)=O.C36=O.C15CC1.N35 |
17258 | CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1 | [C][C][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][C][Ring1][S] | N14CCC6CC1.C15CCCCC1C.CCCS4(=O)=O.C36=O.N35 |
17259 | CCCS(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C] | N14CCC5CC1.CCCS4(=O)=O.N13CCCCC1.C35=O |
17260 | CCCS(=O)(=O)N1CCC(C(=O)NC2CCCC(C)C2C)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C][Ring1][P] | C15CCCC(C)C1C.N14CCC6CC1.CCCS4(=O)=O.C36=O.N35 |
17261 | CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1 | [C][C][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.CCCS4(=O)=O.C15CCCCC1.C36=O.N35 |
17262 | CCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][P] | N15CCC6CC1.c17ccc(C)cc1.CCCS5(=O)=O.C36=O.N34.C47 |
17263 | CCCS(=O)(=O)N1CCC(C(=O)NC2CCC(C)CC2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring1][S] | N14CCC6CC1.C15CCC(C)CC1.CCCS4(=O)=O.C36=O.N35 |
17264 | CCCS(=O)(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P] | N15CCC6CC1.CCCS5(=O)=O.c17ccccc1.C36=O.N34C.C47 |
17265 | CCCS(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1 | [C][C][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.CCCS5(=O)=O.c17ccccn1.C36=O.N34.C47 |
17266 | CCCS(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][#C] | N15CCC6CC1.CCCS5(=O)=O.c17ccco1.C36=O.N34.C47 |
17267 | CCCS(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N] | N14CCC5CC1.CCCS4(=O)=O.N13CCCC1.C35=O |
17268 | CCOc1cc(CNc2ccccc2)ccc1OC | [C][C][O][C][=C][C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][O][C] | c14cc8ccc15.c17ccccc1.CC3.O34.C68.N67.O5C |
17269 | COc1cccc(C(=O)Nc2cc3cc(OC)ccc3oc2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][Ring1][N][=O][=C][Ring2][Ring1][=Branch1] | c17cc2cc6ccc2oc1=O.c15cccc8c1.C48=O.CO5.N47.O6C |
17270 | CC(=O)Oc1ccc2cc(NC(=O)c3cccc(C)c3)c(=O)oc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c16ccc2cc7c(=O)oc2c1.c18cccc(C)c1.CC4=O.C58=O.O46.N57 |
17271 | C#CC(O)(c1ccc(OC)c(OC)c1)c1ccc(OC)cc1OC | [C][#C][C][Branch1][C][O][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C] | c16ccc2c3c1.c17ccc4cc15.C#CC67O.O2C.O3C.O4C.O5C |
17272 | CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 | [C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc(S4(=O)=O)cc1.c15ccccc1.N14CCCC1.CN35.C36=O |
17274 | COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCO2 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c14ccc(Cl)cc15.C36=O.CO4.N35 |
17275 | COc1ccc(OC)c(NC(=O)c2ccc3c(c2)OCO3)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c18ccc2c(c1)OCO2.c15ccc6c7c1.C48=O.CO5.O6C.N47 |
17276 | CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring1][P] | c18ccc2c(c1)OCO2.N15CCN6CC1.C45=O.C68=O.CC7.O47 |
17277 | O=C(NCc1cccnc1)c1ccc2c(c1)OCO2 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c16cccnc1.O=C35.N34.C46 |
17278 | Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2F)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O] | Cn1c(=O)c2c(ncn25)n(C)c1=O.c14ccccc1F.C5C3=O.N34 |
17279 | Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][#Branch1][C] | n16cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccc5cc1C.C4(=O)C6.N45 |
17280 | Cc1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch1][C] | n16cnc2c1c(=O)n(C)c(=O)n2C.Cc1cccc5c1C.C4(=O)C6.N45 |
17281 | Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(F)cc2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O] | Cn1c(=O)c2c(ncn25)n(C)c1=O.c14ccc(F)cc1.C5C3=O.N34 |
17283 | Cn1c(=O)c2c(ncn2CC(=O)NC2CCCCC2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring2][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][Branch1][=O] | Cn1c(=O)c2c(ncn25)n(C)c1=O.C14CCCCC1.C5C3=O.N34 |
17284 | Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][#Branch1] | n16cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccc5cc1.C4(=O)C6.N45 |
17285 | COc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][#Branch1] | n17cnc2c1c(=O)n(C)c(=O)n2C.c15ccc6cc1.C4(=O)C7.CO5.N46 |
17286 | COc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n16cnc2c1c(=O)n(C)c(=O)n2C.c14ccccc15.C3(=O)C6.CO4.N35 |
17287 | Cn1c(=O)c2c(ncn2CC(=O)N2CCc3ccccc32)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch2][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][Branch1][C][C][C][Ring2][Ring1][#Branch1][=O] | Cn1c(=O)c2c(ncn25)n(C)c1=O.N14CCc2ccccc21.C5C4=O |
17288 | CCc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15cnc2c1c(=O)n(C)c(=O)n2C.c16ccccc14.C3(=O)C5.CC6.N34 |
17289 | Nc1ccc2[nH]c(-c3ccc(-c4nc5cc(N)ccc5o4)cc3)nc2c1 | [N][C][=C][C][=C][NH1][C][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][C][=N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][=C][Ring1][S][=N][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] | Nc1ccc2[nH]c6nc2c1.c17nc2cc(N)ccc2o1.c16ccc7cc1 |
17290 | Cc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccccc14.C3(=O)C5.N34 |
17291 | Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][Branch1][C][C][=C][Ring2][Ring1][Branch2] | n16cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccc5c(C)c1.C4(=O)C6.N45 |
17292 | CC1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 | [C][C][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][C][Ring2][Ring1][=Branch1] | n15cnc2c1c(=O)n(C)c(=O)n2C.CC1CCN4CC1.C4(=O)C5 |
17293 | Cc1ccccc1OCC(=O)Nc1ccc(F)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1ccccc14.c15ccc(F)cc1.C3C2=O.O34.N25 |
17294 | CCc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][#Branch1] | n16cnc2c1c(=O)n(C)c(=O)n2C.c17ccc5cc1.C4(=O)C6.CC7.N45 |
17295 | Cn1c(=O)c2c(ncn2CC(=O)Nc2cccnc2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring2][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][Branch1][=O] | Cn1c(=O)c2c(ncn25)n(C)c1=O.c14cccnc1.C5C3=O.N34 |
17298 | O=C(NC1CCCC1)c1cc(=O)[nH]c2ccc(Br)cc12 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][N][Ring1][#Branch1] | c15cc(=O)[nH]c2ccc(Br)cc12.C14CCCC1.O=C35.N34 |
17299 | CCC(C)NC(=O)c1cc(=O)[nH]c2ccc(Br)cc12 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][N][Ring1][#Branch1] | c15cc(=O)[nH]c2ccc(Br)cc12.CCC4C.C35=O.N34 |
17300 | CC(C)CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc12 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][N][Ring1][#Branch1] | c15cc(=O)[nH]c2ccc(Br)cc12.CC(C)CC4.C35=O.N34 |
17301 | O=C(NC1CC1)c1cc(=O)[nH]c2ccc(Br)cc12 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][N][Ring1][#Branch1] | c15cc(=O)[nH]c2ccc(Br)cc12.O=C35.C14CC1.N34 |
17302 | O=C(Nc1ccncc1)C1c2ccccc2Oc2ccccc21 | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | O=C3C1c2ccccc2Oc2ccccc21.c14ccncc1.N34 |
17303 | O=C(NCc1ccco1)c1cc(=O)[nH]c2ccc(Br)cc12 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][N][Ring1][#Branch1] | c15cc(=O)[nH]c2ccc(Br)cc12.c16ccco1.O=C35.N34.C46 |
17304 | O=C(Nc1ccccn1)C1c2ccccc2Oc2ccccc21 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | O=C3C1c2ccccc2Oc2ccccc21.c14ccccn1.N34 |
17307 | CC(=O)Nc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c15ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1.CC4=O.N45 |
17308 | Cc1cc(Cl)ccc1S(=O)(=O)NCc1cccnc1 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1cc(Cl)ccc1S3(=O)=O.c14cccnc1.N23.C24 |
17309 | Cc1cc(S(=O)(=O)NCc2ccccn2)c(Cl)cc1Cl | [C][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][C][Cl] | Cc1cc(S4(=O)=O)c(Cl)cc1Cl.c15ccccn1.N34.C35 |
17310 | COc1ccc2cc(S(=O)(=O)n3ccnc3C)ccc2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c14ccc2cc(S(=O)(=O)n3ccnc3C)ccc2c1.CO4 |
17311 | CC(NC(=O)c1coc2nc3ccccc3nc12)c1ccccc1 | [C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16coc2nc3ccccc3nc12.c17ccccc1.CC57.C46=O.N45 |
17312 | O=C(NCC1CCCO1)c1coc2nc3ccccc3nc12 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][Ring1][#Branch2] | c16coc2nc3ccccc3nc12.C17CCCO1.O=C46.N45.C57 |
17313 | Cc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl | [C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Cl] | Cc1cc(S3(=O)=O)ccc1Cl.N13CCCCC1 |
17314 | CC(C)CCNC(=O)c1coc2nc3ccccc3nc12 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][Ring1][#Branch2] | c16coc2nc3ccccc3nc12.CC(C)CC5.C46=O.N45 |
17315 | Cc1cc(S(=O)(=O)NCc2ccco2)ccc1Cl | [C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][S][Cl] | Cc1cc(S4(=O)=O)ccc1Cl.c15ccco1.N34.C35 |
17318 | COc1ccc(OC)c(S(=O)(=O)N2C(C)CCCC2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c13ccc4c(S5(=O)=O)c1.N15C(C)CCCC1C.CO3.O4C |
17319 | COc1ccc(Cl)cc1S(=O)(=O)N1C(C)CCCC1C | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C] | c12ccc(Cl)cc1S3(=O)=O.N13C(C)CCCC1C.CO2 |
17320 | Cc1cccc(C(=O)N2CCN(C(=O)c3cccc(C)c3)C(C)C2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][Ring1][S][=C][Ring2][Ring1][Branch2] | N14CCN5C(C)C1.Cc1cccc6c1.c17cccc(C)c1.C46=O.C57=O |
17322 | COc1ccc(C)cc1S(=O)(=O)N1CCCCC1 | [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][Ring1][=Branch1] | c12ccc(C)cc1S3(=O)=O.N13CCCCC1.CO2 |
17323 | COc1ccc(C)cc1S(=O)(=O)N1CCOCC1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c12ccc(C)cc1S3(=O)=O.N13CCOCC1.CO2 |
17324 | COc1ccc(C)cc1S(=O)(=O)N1CCCCCC1 | [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][Ring1][#Branch1] | c12ccc(C)cc1S3(=O)=O.N13CCCCCC1.CO2 |
17329 | Nc1ccc(O)c(-c2nc3cc(N)ccc3s2)c1 | [N][C][=C][C][=C][Branch1][C][O][C][Branch1][P][C][=N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=C][Ring1][P] | c14nc2cc(N)ccc2s1.Nc1ccc(O)c4c1 |
17332 | Cc1cc(F)c(F)c(C(=O)N2CCOCC2)c1Cl | [C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S][Cl] | Cc1cc(F)c(F)c4c1Cl.N13CCOCC1.C34=O |
17333 | Cc1cc(Cl)ccc1NC(=O)c1sc2ncn(C)c(=O)c2c1C | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][C][=Ring1][O][C] | c15sc2ncn(C)c(=O)c2c1C.Cc1cc(Cl)ccc14.C35=O.N34 |
17334 | Cc1ccc(F)cc1NC(=O)c1sc2ncn(C)c(=O)c2c1C | [C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][C][=Ring1][O][C] | c15sc2ncn(C)c(=O)c2c1C.Cc1ccc(F)cc14.C35=O.N34 |
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