ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
20293 | Cc1ccc(C)c(OCC(=O)Nc2ccncc2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1ccc(C)c5c1.c16ccncc1.C4C3=O.O45.N36 |
20294 | CC(C)CC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C] | c15ccc2oc6nc2c1.CC(C)CC4=O.c16cccnc1.N45 |
20295 | Cc1cccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Ring1][C] | Cc1cccc6c1C.N13CCCC1.C4C3=O.S5(C)(=O)=O.N456 |
20296 | Cc1cc(Nc2ccccc2)nc(N2CCOCC2)n1 | [C][C][=C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc3nc4n1.c15ccccc1.N14CCOCC1.N35 |
20297 | Cc1ccc(C)c(OCC(=O)NCc2ccncc2)c1 | [C][C][=C][C][=C][Branch1][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] | Cc1ccc(C)c5c1.c17ccncc1.C4C3=O.O45.N36.C67 |
20298 | O=C(CSc1cccc2cccnc12)Nc1ccc(F)cc1 | [O][=C][Branch1][P][C][S][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16cccc2cccnc12.c15ccc(F)cc1.O=C3C4.S46.N35 |
20299 | COc1cc(NC(=O)CC(C)C)ccc1NC(=O)c1ccco1 | [C][O][C][=C][C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c14cc5ccc16.C2(=O)CC(C)C.c17ccco1.C37=O.CO4.N25.N36 |
20300 | COc1ccc(OC)c(NC(=O)C2CCCNC2=O)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][N][C][Ring1][=Branch1][=O][=C][Ring2][Ring1][C] | c14ccc5c6c1.C17CCCNC1=O.C37=O.CO4.O5C.N36 |
20301 | COC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(Cl)c(Cl)c1.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
20303 | COc1ccc(OCCn2c(NC(C)=O)nc3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][N][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | n19c8nc2ccccc21.c16ccc7cc1.C5C9.C4(C)=O.CO6.O57.N48 |
20304 | O=C(OCn1nnc2ccccc2c1=O)c1cccs1 | [O][=C][Branch2][Ring1][C][O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][S][Ring1][Branch1] | n15nnc2ccccc2c1=O.c14cccs1.O=C34.O3C5 |
20305 | COc1ccc(OCCn2c(=O)n(C)c3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | n17c(=O)n(C)c2ccccc21.c15ccc6cc1.C4C7.CO5.O46 |
20306 | Cc1cccc(OCCn2c(CO)nc3ccccc32)c1 | [C][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][Ring2][Ring1][Ring2] | n16c7nc2ccccc21.Cc1cccc5c1.C4C6.O45.C7O |
20307 | OCc1nc2ccccc2n1CCOc1ccc(Br)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][Br][C][=C][Ring1][#Branch1] | c16nc2ccccc2n15.c14ccc(Br)cc1.C5C3.OC6.O34 |
20308 | Cn1c(=O)n(Cc2ccccc2F)c2ccccc21 | [C][N][C][=Branch1][C][=O][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | Cn1c(=O)n3c2ccccc21.c14ccccc1F.C34 |
20309 | CCOC(=O)C1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][S] | c17ccc(C)c(Cl)c1.C16CCN4CC1.C36=O.C47=O.CC5.O35 |
20310 | O=C(Cn1c(=O)sc2ccccc21)N1CCCCCC1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1] | n14c(=O)sc2ccccc21.N13CCCCCC1.O=C3C4 |
20311 | CCC(=O)Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 | [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.CCC4=O.O45 |
20313 | CCc1ccc(OCC(=O)Nc2cccnc2)cc1 | [C][C][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P] | c17ccc5cc1.c16cccnc1.C4C3=O.CC7.O45.N36 |
20314 | CCOC(=O)N1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][S] | c17ccc(C)c(Cl)c1.N14CCN5CC1.C34=O.C57=O.CC6.O36 |
20315 | COc1ccc(C(=O)N(Cc2ccccc2)C(C)C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1][O][C] | c14ccc8cc15.c19ccccc1.C38=O.N367.C7(C)C.CO4.C69.O5C |
20317 | COc1ccccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 | [C][O][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] | c15ccccc16.N13CCN7CC1.c17ccc(F)cc1.C4C3=O.CO5.O46 |
20318 | CC(C(=O)N1CCCC1)N(c1ccccc1)S(C)(=O)=O | [C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccccc1.CC3C2=O.N12CCCC1.S4(C)(=O)=O.N345 |
20319 | O=C(c1ccco1)N1CCN(C(=O)N2CCCCC2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C] | N13CCN4CC1.N15CCCCC1.c16ccco1.O=C36.C45=O |
20320 | Cc1cc(-c2ccccc2)nc2cc(C(N)=O)nn12 | [C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][N][Ring2][Ring1][C][Ring1][Branch2] | Cc1cc4nc2cc3nn12.c14ccccc1.C3(N)=O |
20321 | Cc1cc(-c2ccccc2)nc2cc(C(=O)OC(C)C)nn12 | [C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=N][N][Ring2][Ring1][Branch1][Ring1][O] | Cc1cc6nc2cc5nn12.c16ccccc1.C35=O.C4(C)C.O34 |
20322 | Cc1cc(-c2ccccc2)nc2cc(C(=O)NCc3ccco3)nn12 | [C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring2][Ring1][Branch2][Ring1][=C] | Cc1cc8nc2cc6nn12.c18ccccc1.c17ccco1.C46=O.N45.C57 |
20323 | CCC(C)NC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][C][N][Ring1][=N][N][=Ring1][S] | c16cc2nc7cc(C)n2n1.c17ccccc1.CCC5C.C46=O.N45 |
20324 | Cc1cc(-c2ccccc2)nc2cc(C(=O)NCC(C)C)nn12 | [C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=N][N][Ring2][Ring1][=Branch1][Ring1][N] | Cc1cc6nc2cc5nn12.c16ccccc1.C4C(C)C.C35=O.N34 |
20325 | Cc1cc(-c2ccccc2)nc2cc(C(=O)NC(C)(C)C)nn12 | [C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][N][Ring2][Ring1][=Branch1][Ring1][N] | Cc1cc6nc2cc5nn12.c16ccccc1.C4(C)(C)C.C35=O.N34 |
20327 | NC(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl | [N][C][=Branch1][C][=O][C][=N][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][Ring1][#C][=C][Ring2][Ring1][C][Cl] | c14nn2c5cc6nc2c1Cl.c16cccs1.C5(F)(F)F.NC4=O |
20328 | CC(=O)Oc1cccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][Ring1][P] | c16c[nH]c(=O)[nH]c1=O.c15cccc7c1.CC3=O.C47=O.O35.N46 |
20330 | O=S(=O)(Cc1ccccc1)NCCc1ccc(F)cc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c14ccccc1.O=S3(=O)C4.C2C5.N23 |
20332 | CCc1c(C)sc(NC(=O)c2ccco2)c1C(=O)OC | [C][C][C][=C][Branch1][C][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C][C][=Branch1][C][=O][O][C] | c18c(C)sc5c17.c16ccco1.C46=O.C37=O.CC8.N45.O3C |
20333 | CCc1c(C)sc(NC(=O)c2cccnc2)c1C(=O)OC | [C][C][C][=C][Branch1][C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][#C][C][=Branch1][C][=O][O][C] | c18c(C)sc5c17.c16cccnc1.C46=O.C37=O.CC8.N45.O3C |
20335 | C=CCN(CC=C)C(=O)c1c(-c2ccccc2)noc1C | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C] | c16c7noc1C.c17ccccc1.C=CC4.N345.C5C=C.C36=O |
20337 | Cc1nnc(NC(=O)CC(C)c2ccccc2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][P] | Cc1nnc4s1.C3(=O)CC5C.c15ccccc1.N34 |
20338 | CC1CN(C(=O)CCCc2ccccc2)CC(C)O1 | [C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][C] | CC1CN3CC(C)O1.C3(=O)CCC4.c14ccccc1 |
20341 | COC(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c17ccc6cc1.c18ccccc1.C4(=O)C5.C37=O.CO3.N46.S58 |
20342 | CC(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 | [C][C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc(S(N)(=O)=O)cc1.CC4CC2=O.c14ccccc1.C3C5.N23 |
20343 | O=C(Cc1cccs1)NCc1ccc(Cl)cc1 | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.c14cccs1.O=C2C4.N23.C35 |
20344 | Cc1cc2nc(SCC(=O)Nc3nccs3)[nH]c2cc1C | [C][C][=C][C][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][NH1][C][=Ring1][#C][C][=C][Ring2][Ring1][Ring1][C] | Cc1cc2nc7[nH]c2cc1C.c16nccs1.C5C4=O.S57.N46 |
20345 | CCOC(=O)c1cccc2c3c([nH]c12)C(C(=O)OCC)CCC3 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][C][=C][Branch1][#Branch1][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][=N] | c18cccc2c3c([nH]c12)C(C5=O)CCC3.C48=O.CC6.O46.O57.C7C |
20346 | O=C(Nc1cccc2cccnc12)c1ccccc1O | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | c14cccc2cccnc12.c15ccccc1O.O=C35.N34 |
20347 | CC1CN(C(=O)CSc2ccccc2)CC(C)O1 | [C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][O][Ring1][P] | CC1CN3CC(C)O1.c15ccccc1.C3(=O)C4.S45 |
20350 | Nc1nonc1C(=O)OCc1ccc(Cl)cc1 | [N][C][=N][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.Nc1nonc14.C24=O.O23.C35 |
20352 | COC(=O)C(CC(C)C)NS(=O)(=O)c1ccccc1 | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.C2(=O)C3CC(C)C.CO2.N34 |
20353 | CCOC(=O)Cc1csc(NC(=O)Cc2ccc(F)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][S] | c18ccc(F)cc1.c17csc6n1.C3(=O)C7.C4(=O)C8.CC5.O35.N46 |
20355 | O=C(Cc1ccc(F)cc1)Nc1ccc(Cl)cn1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | c14ccc(F)cc1.c13ccc(Cl)cn1.O=C2C4.N23 |
20357 | O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1cccnc1 | [O][=C][Branch2][Ring1][=Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][=Branch1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | n15nc6c2c1CCCC2.c17cccnc1.O=C3C5.C6(F)(F)F.N34.C47 |
20358 | CC1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)CC1 | [C][C][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] | n15nc6c2c1CCCC2.CC1CCN4CC1.C4(=O)C5.C6(F)(F)F |
20359 | O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NC1CCCC1 | [O][=C][Branch2][Ring1][=Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][Branch1] | n15nc6c2c1CCCC2.C14CCCC1.O=C3C5.C6(F)(F)F.N34 |
20360 | O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | n14nc5c2c1CCCC2.N13CCOCC1.O=C3C4.C5(F)(F)F |
20361 | O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1ccccc1 | [O][=C][Branch2][Ring1][=Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15nc6c2c1CCCC2.c14ccccc1.O=C3C5.C6(F)(F)F.N34 |
20362 | O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1ccccc1 | [O][=C][Branch2][Ring1][=Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15nc6c2c1CCCC2.c17ccccc1.O=C3C5.C6(F)(F)F.N34.C47 |
20363 | COC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | c16ccc5cc1.c17ccc(F)cc1.C4(=O)C7.C36=O.CO3.N45 |
20364 | CC(C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][=Branch1] | n15nc6c2c1CCCC2.C3(=O)C5.C6(F)(F)F.CC4C.N34 |
20365 | CCC(C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][=Branch1] | n15nc6c2c1CCCC2.CCC4C.C3(=O)C5.C6(F)(F)F.N34 |
20366 | COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | S5(=O)(=O)c1ccccc1.c13ccc6cc1.C6C4.CO3.N45 |
20367 | Cc1cccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][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][Ring2][C] | Cc1cccc6c1C.N13CCOCC1.C4C3=O.S5(C)(=O)=O.N456 |
20368 | COCC(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1 | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][=O][C][=C][Ring1][=N] | c16ccc(S5(=O)=O)cc1.C4C2=O.C3(C)=O.CO4.N26.N35 |
20369 | CCOC(=O)N1CCN(C(=O)COc2ccccc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | N14CCN5CC1.c18ccccc1.C5(=O)C7.C34=O.CC6.O36.O78 |
20371 | COC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 | [C][O][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(C)cc1.c15ccccc1F.C2(=O)C3.N345.CO2 |
20372 | CC(C(=O)NCc1ccncc1)N(c1ccccc1)S(C)(=O)=O | [C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c17ccncc1.c16ccccc1.CC3C2=O.S5(C)(=O)=O.N356.N24.C47 |
20373 | O=C(CSc1nnc(-c2ccco2)o1)c1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnc6o1.c14ccccc1.c16ccco1.O=C4C3.S35 |
20374 | Nn1c(SCc2ccccc2)nnc1-c1cccnc1 | [N][N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1] | Nn1c5nnc16.c14ccccc1.c16cccnc1.S35.C34 |
20375 | Nn1c(SCc2ccccc2)nnc1-c1ccncc1 | [N][N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][C][=C][C][=N][C][=C][Ring1][=Branch1] | Nn1c5nnc16.c14ccccc1.c16ccncc1.S35.C34 |
20376 | COc1ccccc1N(CC(=O)N(C)C)S(C)(=O)=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c13ccccc16.C4C2=O.S5(C)(=O)=O.N456.N2(C)C.CO3 |
20377 | Cc1cc(C)c(C(=O)CC2(O)C(=O)Nc3ccc(C)cc32)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][N][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | C4(=O)CC1(O)C(=O)Nc2ccc(C)cc21.Cc1cc(C)c4c(C)c1 |
20378 | CCC(=O)c1c(OC(=O)C(C)C)ccc2c(C)cc(=O)oc12 | [C][C][C][=Branch1][C][=O][C][=C][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring2][Ring1][C][=Ring1][Branch2] | c15c4ccc2c(C)cc(=O)oc12.C3(=O)C(C)C.CCC5=O.O34 |
20379 | COc1ccc(NC(=O)N2CCOCC2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][P] | c15ccc7c6c1.N14CCOCC1.C34=O.CO5.N37.O6C |
20380 | CCC(C)c1ccccc1OCC(=O)Nc1cc(C)on1 | [C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c16ccccc14.c15cc(C)on1.CCC6C.C3C2=O.O34.N25 |
20381 | Cc1cc(NC(=O)N2CCOCC2)ccc1Br | [C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Br] | Cc1cc5ccc1Br.N14CCOCC1.C34=O.N35 |
20382 | O=S(=O)(Nc1ccccc1CO)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S2(=O)c1ccccc1.c13ccccc14.N23.C4O |
20384 | Cc1ccc(CNC(=O)c2ccc(N)cc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][Ring1][P][C] | Cc1ccc6cc1C.c15ccc(N)cc1.C35=O.C46.N34 |
20385 | CC(CCc1ccccc1)NC(=O)N1CCOCC1 | [C][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c15ccccc1.N13CCOCC1.CC4CC5.C23=O.N24 |
20386 | C=CCc1ccccc1OCC(O)Cn1c(C)nc2ccccc21 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n15c(C)nc2ccccc21.c16ccccc14.C3C(O)C5.C=CC6.O34 |
20388 | COc1cccc(NC(=O)c2c(-c3ccccc3)noc2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][=C][Ring2][Ring1][Branch1] | c15cccc6c1.c17c8noc1C.c18ccccc1.C47=O.CO5.N46 |
20389 | COc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | c15ccc7c6c1.c18c9noc1C.c19ccccc1.C48=O.CO5.N47.O6C |
20390 | COCC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring1][P] | c17ccc(S5(=O)=O)cc1.c16nccc(C)n1.C4C3=O.CO4.N37.N56 |
20391 | CCOc1ccccc1NC(=O)Cc1ccc(F)cc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccccc15.c16ccc(F)cc1.C2(=O)C6.CC3.O34.N25 |
20392 | Cc1ccc(OCC(=O)Nc2ccncc2)cc1C | [C][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P][C] | Cc1ccc5cc1C.c16ccncc1.C4C3=O.O45.N36 |
20393 | CC(=O)Nc1ccccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][=Branch2] | c15cc(C)c(Cl)c(C)c1.c16ccccc17.C3(=O)C4.CC2=O.N26.N37.O45 |
20395 | CC(=O)Oc1ccc2oc(=O)c3c(c2c1)CCCN3C(C)=O | [C][C][=Branch1][C][=O][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][C][Ring1][#Branch1][=C][Ring1][O][C][C][C][N][Ring1][Branch2][C][Branch1][C][C][=O] | c16ccc2oc(=O)c3c(c2c1)CCCN35.CC4=O.C5(C)=O.O46 |
20396 | COc1ccccc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][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] | c13ccccc16.N12CCCCCC1.C4C2=O.S5(C)(=O)=O.N456.CO3 |
20397 | Cc1cc(OCC(=O)NCc2ccncc2)cc(C)c1Cl | [C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][Cl] | Cc1cc5cc(C)c1Cl.c17ccncc1.C4C3=O.O45.N36.C67 |
20398 | COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c13ccc(S5(=O)=O)cc1.c16ccc(C)cc1.C4C(N)=O.N456.CO3 |
20399 | CC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.c14ccccc15.CC2=O.N24.N35 |
20400 | O=S(=O)(NCc1ccccc1Cl)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S3(=O)c1ccccc1.c14ccccc1Cl.N23.C24 |
20401 | COc1ccc(NS(=O)(=O)c2ccccc2)cc1OC | [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][O][C] | S5(=O)(=O)c1ccccc1.c13ccc6cc14.CO3.N56.O4C |
20403 | COc1ccccc1NC(=O)Nc1ccc(C)cn1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1] | c14ccccc16.c15ccc(C)cn1.C23=O.CO4.N26.N35 |
20404 | N#Cc1ccc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)c(F)c1 | [N][#C][C][=C][C][=C][Branch2][Ring1][O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring1][S][C][Branch1][C][F][=C][Ring2][Ring1][#Branch1] | N#Cc1ccc5c(F)c1.c16ccc(F)cc1F.N15CCN4CC1.C46=O |
20405 | COc1ccccc1NC(=O)Nc1ccc(Cl)cn1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | c14ccccc16.c15ccc(Cl)cn1.C23=O.CO4.N26.N35 |
20406 | O=C(Nc1ccc(F)cc1)N1CCc2ccccc2C1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N14CCc2ccccc2C1.c15ccc(F)cc1.O=C34.N35 |
20407 | COc1ccccc1NC(=O)N1CCc2ccccc2C1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N14CCc2ccccc2C1.c15ccccc16.C34=O.CO5.N36 |
20409 | CC(=O)Nc1ccc(NC(=O)CSc2ccccc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c16ccc7cc1.c18ccccc1.C4(=O)C5.CC3=O.N36.N47.S58 |
20410 | COC(=O)c1ccc(OCC(=O)Nc2ccccc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c18ccc6cc1.c17ccccc1.C5C4=O.C38=O.CO3.O56.N47 |
20412 | COC(=O)C(CC(C)C)NC(=O)c1ccc(NC(C)=O)cc1 | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | C2(=O)C5CC(C)C.c17ccc6cc1.C37=O.C4(C)=O.CO2.N35.N46 |
20414 | CCCC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 | [C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc(S4(=O)=O)cc1.CCCC(C)C3=O.N14CCOCC1.N35 |
20415 | COc1ccccc1CNC(=O)COc1ccc(C)c(C)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2] | c15ccc(C)c(C)c1.c14ccccc17.C2(=O)C3.CO4.C67.N26.O35 |
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