ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
9273 | COC(=O)c1cc(Br)ccc1NC(=O)c1cccnc1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15cc(Br)ccc14.c16cccnc1.C25=O.C36=O.CO2.N34 |
9274 | CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S] | c16ccc(S4(=O)=O)cc1.c15ncccn1.CC(C)C3=O.N36.N45 |
9275 | O=C(c1ccc(C(F)(F)F)cc1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c13ccc4cc1.N12CCOCC1.C4(F)(F)F.O=C23 |
9278 | Brc1ccc(-n2cnnn2)c2ncccc12 | [Br][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=N][C][=C][C][=C][Ring1][#C][Ring1][=Branch1] | Brc1ccc3c2ncccc12.n13cnnn1 |
9280 | CCOC(=O)c1c(NC(=O)C2CCCO2)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][S][C][Branch1][C][C][=C][Ring1][=C][C] | c18c6sc(C)c1C.C17CCCO1.C38=O.C47=O.CC5.O35.N46 |
9282 | Nc1nc(COc2ccc(F)cc2)nc(N2CCOCC2)n1 | [N][C][=N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | Nc1nc5nc6n1.c14ccc(F)cc1.N15CCOCC1.C36.O34 |
9283 | Cn1c(=O)c(-c2ccc3ccccc3n2)c(C#N)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | Cn1c(=O)c4c(C#N)c2ccccc21.c14ccc2ccccc2n1 |
9284 | Cc1ncc(CSc2nc(C(C)(C)C)cs2)c(CO)c1O | [C][C][=N][C][=C][Branch2][Ring1][Ring2][C][S][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][S][Ring1][=Branch2][C][Branch1][Ring1][C][O][=C][Ring2][Ring1][Ring1][O] | Cc1ncc5c6c1O.c17nc4cs1.C4(C)(C)C.C35.S37.C6O |
9285 | Cc1ccc(NC(=O)CSc2nnc(C)n2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][N][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c16nnc(C)n1N.C3(=O)C4.N35.S46 |
9286 | CCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N | [C][C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][P][N] | c16nnc7n1N.c15ccc(C)cc1.C4C3=O.CC6.S47.N35 |
9288 | CCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1N | [C][C][C][=N][N][=C][Branch2][Ring1][#Branch2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][Ring2][Ring1][Ring2][N] | c16nnc8n1N.c15cccc7c1.C4C3=O.C7(F)(F)F.CC6.S48.N35 |
9289 | CCc1nnc(SCC(=O)Nc2ccc(OC)cc2)n1N | [C][C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Ring2][Ring1][C][N] | c17nnc8n1N.c16ccc4cc1.C5C3=O.CC7.S58.N36.O4C |
9290 | COc1ccc(NC(=O)CSc2nnc(C)n2N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][N][C][=C][Ring2][Ring1][C] | c14ccc6cc1.c17nnc(C)n1N.C3(=O)C5.CO4.N36.S57 |
9293 | CC1(O)c2ccccc2C(=O)N1Cc1cccnc1 | [C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | CC1(O)c2ccccc2C(=O)N13.c14cccnc1.C34 |
9294 | COc1cc(NC(=O)NC2(c3ccccc3)CC2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] | c16cc%10cc7c18.c1%11ccccc1.C19%11CC1.C45=O.CO6.N4%10.N59.O7C.O8C |
9295 | Cc1onc(-c2ccccc2)c1C(O)c1ccc(F)cc1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1onc5c13.c14ccc(F)cc1.c15ccccc1.C34O |
9298 | COc1cc2cc3c(=O)[nH]c(-c4ccc(C)cc4)nc3nc2cc1OC | [C][O][C][=C][C][=C][C][C][=Branch1][C][=O][NH1][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=Ring1][=C][N][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][O][C] | c15cc2cc3c(=O)[nH]c7nc3nc2cc16.c17ccc(C)cc1.CO5.O6C |
9300 | O=C(COc1ccc2c(c1)OCO2)N1CCc2ccccc21 | [O][=C][Branch2][Ring1][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | c15ccc2c(c1)OCO2.N13CCc2ccccc21.O=C3C4.O45 |
9301 | O=C(COc1ccc(F)cc1F)n1cnc2ccccc21 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | O=C(C3)n1cnc2ccccc21.c14ccc(F)cc1F.O34 |
9302 | CCOC(=O)c1sc2cccc(Cl)c2c1N | [C][C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N] | c15sc2cccc(Cl)c2c1N.C35=O.CC4.O34 |
9304 | Cc1cccc(OCC(=O)Nc2cccnc2)c1C | [C][C][=C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][P][C] | Cc1cccc5c1C.c16cccnc1.C4C3=O.O45.N36 |
9305 | CC1C(=O)C(=O)OC1c1c(Cl)cccc1Cl | [C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][Ring1][#Branch1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | CC1C(=O)C(=O)OC12.c12c(Cl)cccc1Cl |
9306 | O=C(COc1ccc2c(c1)OCO2)Nc1ccccc1F | [O][=C][Branch2][Ring1][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccc2c(c1)OCO2.c16ccccc1F.O=C3C4.O45.N36 |
9307 | COC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)OCO2 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c18ccccc17.C4(=O)C5.C38=O.CO3.N47.O56 |
9308 | Cc1cc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)no1 | [C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C][=N][O][Ring2][Ring1][=Branch1] | c17c(F)cccc1Cl.c16c7noc1C.Cc1cc5no1.C46=O.N45 |
9309 | COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)c2cccnc12 | [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][C][=C][N][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | c13ccc(S5(=O)=O)c2cccnc12.c16ccccc1.N45C.CO3.C46 |
9310 | N#Cc1ccc(-c2c(N)oc(-c3cccs3)c2C#N)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][C][N][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][O][C][#N][C][=C][Ring2][Ring1][Ring1] | c15c(N)oc4c1C#N.N#Cc1ccc5cc1.c14cccs1 |
9311 | CC1CCN(c2ccc(C(F)(F)F)cc2N)CC1 | [C][C][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][Ring1][P] | c13ccc4cc1N.CC1CCN3CC1.C4(F)(F)F |
9313 | COc1ccc(OCC(=O)c2ccc(O)cc2O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][C] | c16ccc(O)cc1O.c14ccc5cc1.C3C6=O.CO4.O35 |
9314 | O=C(Cc1cccc(Cl)c1)c1ccc(O)cc1O | [O][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] | c12ccc(O)cc1O.c13cccc(Cl)c1.O=C2C3 |
9315 | COc1ccccc1CC(=O)c1ccc(O)cc1O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] | c13ccc(O)cc1O.c12ccccc14.C4C3=O.CO2 |
9316 | Cc1cccn(Cc2c(F)cccc2Cl)c1=O | [C][C][=C][C][=C][N][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][Ring1][#C][=O] | Cc1cccn3c1=O.c14c(F)cccc1Cl.C34 |
9317 | CCOC(=O)c1cnc2c(Cl)cccc2c1NCc1ccco1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Cl][=C][C][=C][C][Ring1][#Branch1][=C][Ring1][O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c17cnc2c(Cl)cccc2c16.c18ccco1.C37=O.CC4.O34.N56.C58 |
9318 | CNC(=O)NCc1c(N(C)C)cccc1N(C)C | [C][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][Ring1][=Branch2][N][Branch1][C][C][C] | c17c5cccc16.C23=O.N5(C)C.N6(C)C.CN2.N34.C47 |
9319 | C=CCN1C(=O)c2ccccc2C1(O)Cc1ccccc1 | [C][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13C(=O)c2ccccc2C1(O)C4.c14ccccc1.C=CC3 |
9320 | O=C1c2ccccc2C(O)(Cc2ccccc2)N1CC1CCCO1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P][C][C][C][C][C][O][Ring1][Branch1] | O=C1c2ccccc2C(O)(C5)N13.c15ccccc1.C14CCCO1.C34 |
9321 | CN(C(=O)Nc1ccccc1)n1cnc2ccccc2c1=O | [C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | CN(C3=O)n1cnc2ccccc2c1=O.c14ccccc1.N34 |
9322 | CN(C(=O)Nc1ccc(Cl)cc1)n1cnc2ccccc2c1=O | [C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | CN(C3=O)n1cnc2ccccc2c1=O.c14ccc(Cl)cc1.N34 |
9323 | Cc1nn(CC(=O)NCc2ccccn2)c(=O)c2ccccc12 | [C][C][=N][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | Cc1nn5c(=O)c2ccccc12.c16ccccn1.C5C3=O.N34.C46 |
9325 | COc1ccc(S(=O)(=O)N(C)c2ccccc2)c2cccnc12 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | c13ccc(S4(=O)=O)c2cccnc12.c15ccccc1.N45C.CO3 |
9326 | COc1ccc(NS(=O)(=O)c2ccc(OC)c3ncccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | S6(=O)(=O)c1ccc5c2ncccc12.c14ccc7cc1.CO4.N67.O5C |
9327 | CN(n1cnc2ccccc2c1=O)S(C)(=O)=O | [C][N][Branch1][S][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][S][Branch1][C][C][=Branch1][C][=O][=O] | CN(n1cnc2ccccc2c1=O)S(C)(=O)=O |
9330 | CC(C)NC(=O)COc1ccccc1Br | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccccc1Br.C2(=O)C3.CC5C.N25.O34 |
9331 | Nc1nc(COc2ccc(F)cc2Cl)nc(N2CCOCC2)n1 | [N][C][=N][C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | Nc1nc5nc6n1.c14ccc(F)cc1Cl.N15CCOCC1.C36.O34 |
9332 | CC(C)(C)NC(=O)COc1ccccc1Br | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccccc1Br.CC5(C)C.C2(=O)C3.N25.O34 |
9333 | CC(C)CNC(=O)COc1ccccc1Br | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccccc1Br.CC(C)C5.C2(=O)C3.N25.O34 |
9334 | Nc1nc(COc2ccccc2Cl)nc(N2CCOCC2)n1 | [N][C][=N][C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | Nc1nc5nc6n1.c14ccccc1Cl.N15CCOCC1.C36.O34 |
9335 | O=C(COc1ccccc1Br)NC1CCCC1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][C][C][C][C][C][Ring1][Branch1] | c14ccccc1Br.C15CCCC1.O=C2C3.O34.N25 |
9336 | Nc1nc(COc2ccc(F)cc2)nc(N2CCCCC2)n1 | [N][C][=N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | Nc1nc5nc6n1.c14ccc(F)cc1.N15CCCCC1.C36.O34 |
9337 | Cn1ncc(-c2nc(-c3ccc(Cl)cc3)cs2)c1N | [C][N][N][=C][C][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][N][=C][Ring1][P][N] | Cn1ncc4c1N.c15ccc(Cl)cc1.c14nc5cs1 |
9338 | CC(=O)c1cccc(NC(=O)COc2ccccc2Br)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=C][Ring2][Ring1][C] | c17cccc6c1.c15ccccc1Br.C3(=O)C4.CC7=O.N36.O45 |
9339 | COc1ccccc1Cc1nc(-c2nonc2N)no1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][=Branch2][C][=N][O][N][=C][Ring1][Branch1][N][=N][O][Ring1][O] | c13ccccc15.c14nc6no1.c16nonc1N.CO3.C45 |
9340 | CN(C)c1cccc(N(C)C)c1CNC(=O)c1ccccc1Cl | [C][N][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c14cccc5c17.c16ccccc1Cl.CN4C.N5(C)C.C26=O.C37.N23 |
9341 | CN(C)c1cccc(N(C)C)c1CNC(=O)c1ccccc1F | [C][N][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14cccc5c17.c16ccccc1F.CN4C.N5(C)C.C26=O.C37.N23 |
9342 | CN(C)c1cccc(N(C)C)c1CNC(=O)C(C)(C)C | [C][N][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C] | c14cccc5c16.C2(=O)C(C)(C)C.CN4C.N5(C)C.C36.N23 |
9345 | Cc1cc(C)c(NC(=O)Nc2ccccc2)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=N][Ring2][Ring1][C] | Cc1cc(C)c5c(C)n1.c16ccccc1.C34=O.N35.N46 |
9346 | COC(=O)CSc1ccc2c(N)c(C(=O)OC)sc2c1 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][Branch1][C][N][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][S][C][Ring1][#Branch2][=C][Ring1][=C] | c17ccc2c(N)c6sc2c1.C3(=O)C5.C46=O.CO3.S57.O4C |
9347 | CC(=O)Nc1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c18ccc9cc1.c1%10ccccc1.C17%10CC1.CC4=O.C56=O.N48.N59.N67 |
9348 | COc1cc(NC(=O)c2ccncc2)cc(-n2cnnn2)c1 | [C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring2][Ring1][Ring2] | c14cc5cc7c1.c16ccncc1.n17cnnn1.C36=O.CO4.N35 |
9349 | Cc1nc(C)c(-c2ccnc(-c3ccc(Cl)cc3)n2)s1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][=N][S][Ring2][Ring1][Ring1] | Cc1nc(C)c4s1.c14ccnc5n1.c15ccc(Cl)cc1 |
9353 | Cc1c(-c2ccnc(N)n2)cnn1-c1ccccc1 | [C][C][=C][Branch1][N][C][=C][C][=N][C][Branch1][C][N][=N][Ring1][#Branch1][C][=N][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1c4cnn13.c14ccnc(N)n1.c13ccccc1 |
9354 | Cc1n[nH]cc1-c1nc(-c2ccc(Cl)cc2)no1 | [C][C][=N][NH1][C][=C][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][N] | c14ccc(Cl)cc1.Cc1n[nH]cc13.c13nc4no1 |
9355 | Cc1ccc(C(=O)NCc2ccccc2C2CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5cc1.c16ccccc17.C35=O.C17CC1.N34.C46 |
9356 | Cc1c(-c2ccnn2C(=O)Nc2ccccc2)cnn1-c1ccccc1 | [C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=N][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccnn1C3=O.Cc1c6cnn15.c14ccccc1.c15ccccc1.N34 |
9357 | CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ncccn1 | [C][C][Branch1][C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1] | c14ccc(Cl)cc1.CC3(C)C2=O.c15ncccn1.O34.N25 |
9358 | COC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc(C)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][C][Branch1][C][C][=C][Ring1][P][C] | S4(=O)(=O)c1ccc(C)cc1.c16c5sc(C)c1C.C36=O.CO3.N45 |
9359 | CCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][S] | c14ccc(S5(=O)=O)cc1.c16cccnc1.CC3.O34.N56 |
9360 | COc1ccc(S(=O)(=O)Nc2cccnc2)cc1C | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][S][C] | c13ccc(S4(=O)=O)cc1C.c15cccnc1.CO3.N45 |
9361 | Cc1cc(S(=O)(=O)Nc2c(C)nn(C)c2C)c(Cl)cc1Cl | [C][C][=C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Ring1][Cl] | Cc1cc(S3(=O)=O)c(Cl)cc1Cl.c14c(C)nn(C)c1C.N34 |
9362 | O=C(COc1ccccc1Br)c1ccc(O)cc1O | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] | c14ccc(O)cc1O.c13ccccc1Br.O=C4C2.O23 |
9363 | CCOc1ccccc1NS(=O)(=O)c1cc(OC)ccc1OC | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C] | S6(=O)(=O)c1cc4ccc15.c13ccccc17.CC2.O23.N67.O4C.O5C |
9365 | COc1cc(S(=O)(=O)NCc2cccnc2)ccc1Cl | [C][O][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][Cl] | c13cc(S5(=O)=O)ccc1Cl.c16cccnc1.CO3.N45.C46 |
9366 | CC(=O)c1nnn(-c2cc(Cl)cc(Cl)c2)c1C | [C][C][=Branch1][C][=O][C][N][=N][N][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Ring1][=N][C] | c14cc(Cl)cc(Cl)c1.c13nnn4c1C.CC3=O |
9371 | O=S(=O)(Nc1ccc(F)cc1)N1CCCCC1 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1] | O=S(=O)(N2)N1CCCCC1.c12ccc(F)cc1 |
9372 | Cc1nnc(NC(=O)C2COc3ccccc3O2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][S][Ring2][Ring1][C] | C16COc2ccccc2O1.Cc1nnc5s1.C46=O.N45 |
9373 | COc1ccc(-c2nnn(Cc3ccccc3F)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c14ccc7cc1.c16ccccc1F.c17nnn5n1.CO4.C56 |
9374 | CCc1ccc(OCC(=O)Nc2cc(C)on2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring1][P] | c17ccc5cc1.c16cc(C)on1.C4C3=O.CC7.O45.N36 |
9375 | Cc1nnc(NC(=O)COc2ccc(-c3ccccc3)cc2)s1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][S][Ring2][Ring1][=Branch1] | c16ccc8cc1.Cc1nnc7s1.c18ccccc1.C4(=O)C5.N47.O56 |
9376 | Cc1nn(C)c(C)c1NC(=O)c1ccccc1NS(C)(=O)=O | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1nn(C)c(C)c14.c16ccccc15.S3(C)(=O)=O.C26=O.N24.N35 |
9377 | COC(=O)C(NC(=O)c1ccc(C(F)(F)F)cc1)C(C)C | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][C][C] | C2(=O)C4C(C)C.c15ccc6cc1.C6(F)(F)F.C35=O.CO2.N34 |
9378 | N#Cc1c(Cl)cccc1NC1CCCCNC1=O | [N][#C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][C][C][C][C][N][C][Ring1][#Branch1][=O] | N#Cc1c2cccc1Cl.C13CCCCNC1=O.N23 |
9379 | O=C(Nc1ccc(Cl)cc1)NC1CCCCNC1=O | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][C][C][N][C][Ring1][#Branch1][=O] | C15CCCCNC1=O.c14ccc(Cl)cc1.O=C23.N24.N35 |
9380 | CCOc1ccc(Cc2nc(-c3nonc3N)no2)cc1OCC | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][=Branch2][C][=N][O][N][=C][Ring1][Branch1][N][=N][O][Ring1][O][C][=C][Ring2][Ring1][C][O][C][C] | c16ccc9cc17.c18nc%10no1.c1%10nonc1N.CC4.O46.C89.O57.C5C |
9382 | O=C(Nc1cccc(C(F)(F)F)c1)c1scc2c1OCCO2 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][S][C][=C][C][=Ring1][Branch1][O][C][C][O][Ring1][=Branch1] | c15scc2c1OCCO2.c14cccc6c1.C6(F)(F)F.O=C35.N34 |
9383 | N#Cc1c(Cl)cccc1N1CCC(C(N)=O)CC1 | [N][#C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2] | N#Cc1c2cccc1Cl.N12CCC3CC1.C3(N)=O |
9384 | O=C(N1CCCCC1)C1(c2ccccc2)CCOCC1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N] | C145CCOCC1.N13CCCCC1.c15ccccc1.O=C34 |
9385 | COc1ccc(C2(C(=O)N3CCOCC3)CCCC2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][O][C] | c15ccc8cc16.C178CCCC1.N14CCOCC1.C47=O.CO5.O6C |
9386 | CCc1ccc(C23OC(=O)C(C)(C)C2OC(=O)C3(C)C)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=N][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][O][C][=Branch1][C][=O][C][Ring1][N][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2] | C125OC(=O)C(C)(C)C1OC(=O)C2(C)C.c14ccc5cc1.CC4 |
9387 | Cc1ccc(C23OC(=O)C(C)(C)C2OC(=O)C3(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][O][C][=Branch1][C][=O][C][Ring1][N][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2] | C124OC(=O)C(C)(C)C1OC(=O)C2(C)C.Cc1ccc4cc1 |
9388 | CC1(C)C(=O)OC2(c3ccc(Cl)cc3)C1OC(=O)C2(C)C | [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=C][O][C][=Branch1][C][=O][C][Ring1][=N][Branch1][C][C][C] | CC1(C)C(=O)OC24C1OC(=O)C2(C)C.c14ccc(Cl)cc1 |
9389 | CCOC(=O)C12C(=O)OC(C)(C)C1C2(CC)C(=O)c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][Ring1][=Branch2][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C125C(=O)OC(C)(C)C1C268.c17ccccc1.C35=O.C67=O.CC4.O34.C8C |
9390 | CNC(=O)c1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1C | [C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][S][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][C][=Ring1][=C][C] | c15c(Cl)cc(Cl)cc1Cl.c14cnn5c1C.C34=O.CN3 |
9391 | O=C1COc2ccc(C(=O)OCC(=O)c3ccccc3)cc2N1 | [O][=C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][N][Ring2][Ring1][=Branch1] | O=C1COc2ccc6cc2N1.c17ccccc1.C5C7=O.C46=O.O45 |
9392 | Clc1ccc(Cl)c(NCc2nnc3n2CCCCC3)c1 | [Cl][C][=C][C][=C][Branch1][C][Cl][C][Branch1][P][N][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c16nnc2n1CCCCC2.Clc1ccc(Cl)c5c1.N45.C46 |
9393 | O=S(=O)(c1ccccc1)N1CCCC1c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1] | O=S2(=O)c1ccccc1.N12CCCC13.c13cccs1 |
9394 | COc1ccc(S(=O)(=O)N2CCCC2c2cccs2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | c13ccc(S4(=O)=O)cc1.N14CCCC15.c15cccs1.CO3 |
9395 | Cc1nn(C)c2c1S(=O)(=O)N=C(N1CCOCC1)S2 | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][S][Ring1][=C] | Cc1nn(C)c2c1S(=O)(=O)N=C(N1CCOCC1)S2 |
9396 | CC(=O)c1c(C(C)=O)c(C)n(Cc2ccc(Cl)cc2)c1C | [C][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Branch1][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][P][C] | c13c4c(C)n5c1C.c16ccc(Cl)cc1.CC3=O.C4(C)=O.C56 |
9397 | CSc1nc(N)n(-c2cc(C(F)(F)F)cc(C)n2)n1 | [C][S][C][N][=C][Branch1][C][N][N][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][C][C][=N][Ring1][O][N][=Ring1][P] | c14cc3cc(C)n1.c15nc(N)n4n1.C3(F)(F)F.CS5 |
9398 | CC(=O)c1nnn(-c2ccc(Cl)c(Cl)c2)c1C | [C][C][=Branch1][C][=O][C][N][=N][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Ring1][=N][C] | c14ccc(Cl)c(Cl)c1.c13nnn4c1C.CC3=O |
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