ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
46233 | COc1c(Cl)cnn(-c2ccc(C)cc2)c1=O | [C][O][C][=C][Branch1][C][Cl][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=C][=O] | c13c(Cl)cnn4c1=O.c14ccc(C)cc1.CO3 |
46234 | COc1cnn(-c2ccc(C)cc2)c(=O)c1Cl | [C][O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][Cl] | c13cnn4c(=O)c1Cl.c14ccc(C)cc1.CO3 |
46235 | Cc1ccc(-n2ncc(Br)c(Br)c2=O)cc1 | [C][C][=C][C][=C][Branch1][S][N][N][=C][C][Branch1][C][Br][=C][Branch1][C][Br][C][Ring1][Branch2][=O][C][=C][Ring1][#C] | n13ncc(Br)c(Br)c1=O.Cc1ccc3cc1 |
46236 | CCOc1cnn(-c2ccc(C)cc2)c(=O)c1Cl | [C][C][O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][Cl] | c14cnn5c(=O)c1Cl.c15ccc(C)cc1.CC3.O34 |
46237 | CCOc1c(Cl)cnn(-c2ccc(C)cc2)c1=O | [C][C][O][C][=C][Branch1][C][Cl][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=C][=O] | c14c(Cl)cnn5c1=O.c15ccc(C)cc1.CC3.O34 |
46238 | CC(C)Oc1c(Cl)cnn(-c2ccccc2)c1=O | [C][C][Branch1][C][C][O][C][=C][Branch1][C][Cl][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] | c14c(Cl)cnn5c1=O.c15ccccc1.CC3C.O34 |
46239 | COc1cnn(-c2ccc(C)cc2)c(=O)c1Br | [C][O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][Br] | c13cnn4c(=O)c1Br.c14ccc(C)cc1.CO3 |
46240 | COc1cnn(-c2ccc(F)cc2)c(=O)c1Br | [C][O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][Br] | c13cnn4c(=O)c1Br.c14ccc(F)cc1.CO3 |
46241 | COc1c(Br)cnn(-c2ccc(F)cc2)c1=O | [C][O][C][=C][Branch1][C][Br][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=C][=O] | c13c(Br)cnn4c1=O.c14ccc(F)cc1.CO3 |
46242 | COc1c(Br)cnn(-c2ccc(C)cc2)c1=O | [C][O][C][=C][Branch1][C][Br][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=C][=O] | c13c(Br)cnn4c1=O.c14ccc(C)cc1.CO3 |
46243 | CCOc1c(Br)cnn(-c2ccc(C)cc2)c1=O | [C][C][O][C][=C][Branch1][C][Br][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=C][=O] | c14c(Br)cnn5c1=O.c15ccc(C)cc1.CC3.O34 |
46244 | CCOc1cnn(-c2ccc(C)cc2)c(=O)c1Br | [C][C][O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][Br] | c14cnn5c(=O)c1Br.c15ccc(C)cc1.CC3.O34 |
46246 | CS(=O)(=O)Nc1ccc(Oc2ncccn2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N] | c16ccc4cc1.c13ncccn1.CS5(=O)=O.N56.O34 |
46247 | CS(=O)(=O)n1ccc(-c2ccc(Oc3ncccn3)cc2)n1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][C] | CS(=O)(=O)n1ccc6n1.c16ccc5cc1.c14ncccn1.O45 |
46248 | O=C(c1ccccc1)n1ccc(-c2ccc(Oc3ncccn3)cc2)n1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][C] | O=C6n1ccc7n1.c17ccc5cc1.c16ccccc1.c14ncccn1.O45 |
46249 | CC(C)(C)OC(=O)N(c1ccc(F)cc1)S(C)(=O)=O | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccc(F)cc1.CC4(C)C.S5(C)(=O)=O.C23=O.N356.O24 |
46250 | O=C1c2ccsc2SCCN1Cc1ccc(Cl)cc1 | [O][=C][C][C][=C][S][C][=Ring1][Branch1][S][C][C][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=C1c2ccsc2SCCN13.c14ccc(Cl)cc1.C34 |
46251 | O=C1c2ccsc2SCCN1Cc1ccccc1 | [O][=C][C][C][=C][S][C][=Ring1][Branch1][S][C][C][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1c2ccsc2SCCN13.c14ccccc1.C34 |
46252 | Cc1ccc(CN2CCSc3sccc3C2=O)cc1 | [C][C][=C][C][=C][Branch1][P][C][N][C][C][S][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C] | N14CCSc2sccc2C1=O.Cc1ccc5cc1.C45 |
46253 | O=C1c2ccsc2SCCN1Cc1cccc(C(F)(F)F)c1 | [O][=C][C][C][=C][S][C][=Ring1][Branch1][S][C][C][N][Ring1][#Branch2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | O=C1c2ccsc2SCCN13.c14cccc5c1.C5(F)(F)F.C34 |
46254 | O=C1c2ccsc2SCCN1Cc1cccc(F)c1 | [O][=C][C][C][=C][S][C][=Ring1][Branch1][S][C][C][N][Ring1][#Branch2][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | O=C1c2ccsc2SCCN13.c14cccc(F)c1.C34 |
46255 | Clc1ccc(-c2ccnc(Oc3cccnc3)n2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=N][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | Clc1ccc6cc1.c16ccnc4n1.c15cccnc1.O45 |
46256 | CS(=O)(=O)c1cnc(-c2ccccc2)nc1N1CCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][N][C][C][C][C][Ring1][Branch1] | CS(=O)(=O)c1cnc4nc13.c14ccccc1.N13CCCC1 |
46257 | Cn1c2ccccc2c2cc(C(=O)NCc3ccco3)sc21 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][S][C][=Ring1][=C][Ring2][Ring1][Branch1] | Cn1c2ccccc2c2cc6sc21.c17ccco1.C46=O.N45.C57 |
46258 | Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCOCC3)cs2)n1 | [C][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][=Branch1][C][=N][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][S][Ring1][=N][N][=Ring2][Ring1][=Branch1] | Cc1cc6n7n1.c17nc5cs1.N14CCOCC1.C6(F)(F)F.C45=O |
46259 | Cc1[nH]n(-c2ccccc2)c(=O)c1CCOC(=O)c1cccs1 | [C][C][NH1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | Cc1[nH]n7c(=O)c16.c17ccccc1.c15cccs1.C6C4.C35=O.O34 |
46260 | COc1cccc(CNC(=O)CC2Sc3ccccc3NC2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][=Branch1] | C17Sc2ccccc2NC1=O.c15cccc8c1.C4(=O)C7.CO5.C68.N46 |
46261 | Cc1ccc(S(=O)(=O)n2[nH]c(=O)c(CCO)c2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][NH1][C][=Branch1][C][=O][C][Branch1][Ring2][C][C][O][=C][Ring1][=Branch2][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S(=O)(=O)n2[nH]c(=O)c3c2C)cc1.C3CO |
46262 | O=C(CC1Sc2ccccc2NC1=O)NCc1ccc(Cl)cc1 | [O][=C][Branch1][P][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | C15Sc2ccccc2NC1=O.c16ccc(Cl)cc1.O=C3C5.N34.C46 |
46263 | COc1ccccc1CNC(=O)CC1Sc2ccccc2NC1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O] | C16Sc2ccccc2NC1=O.c14ccccc17.C3(=O)C6.CO4.C57.N35 |
46264 | Cc1c(CCO)c(=O)[nH]n1S(=O)(=O)c1cccs1 | [C][C][=C][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][NH1][N][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | Cc1c2c(=O)[nH]n1S(=O)(=O)c1cccs1.C2CO |
46265 | COC(=O)c1cc2ccccc2n1S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c14cc2ccccc2n1S(C)(=O)=O.C34=O.CO3 |
46266 | COC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cc2ccccc2n1S(=O)(=O)c1ccccc1.C34=O.CO3 |
46267 | CCOC(=O)Cn1nc(C)n(-c2ccc(C(C)(C)C)cc2)c1=O | [C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][Ring1][S][=O] | n15nc(C)n7c1=O.c17ccc6cc1.C3(=O)C5.C6(C)(C)C.CC4.O34 |
46268 | Cc1nn(CC#N)c(=O)n1-c1ccc(C(C)(C)C)cc1 | [C][C][=N][N][Branch1][Ring2][C][C][#N][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] | Cc1nn2c(=O)n14.c14ccc3cc1.C3(C)(C)C.C2C#N |
46269 | CCOC(=O)Cn1nc(C)n(-c2ccc(Br)cc2)c1=O | [C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][=N][=O] | n15nc(C)n6c1=O.c16ccc(Br)cc1.C3(=O)C5.CC4.O34 |
46270 | O=C(Nc1ccccc1)n1ccc(-c2ccc(-n3ccnc3)cc2)n1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][=N][Ring1][S] | O=C4n1ccc7n1.c17ccc6cc1.c15ccccc1.n16ccnc1.N45 |
46271 | c1ccc(-n2nccc2-c2ccc(-n3ccnc3)cc2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][N][N][=C][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c16ccc5cc1.c1ccc4cc1.n14nccc16.n15ccnc1 |
46272 | Cc1ccc(NC(=O)n2ccc(-c3ccc(-n4ccnc4)cc3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][P][N][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch2] | C5(=O)n1ccc8n1.Cc1ccc6cc1.c18ccc7cc1.n17ccnc1.N56 |
46273 | O=C(CC1OC(=O)c2ccccc21)c1ccc(-n2ccnc2)cc1 | [O][=C][Branch2][Ring1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O] | O=C3CC1OC(=O)c2ccccc21.c13ccc4cc1.n14ccnc1 |
46274 | Cc1cc(-c2c(O)n(C)c(=O)n(C)c2=O)n(C)n1 | [C][C][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][C][O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=O][N][Branch1][C][C][N][=Ring1][P] | c13c(O)n(C)c(=O)n(C)c1=O.Cc1cc3n(C)n1 |
46275 | COC(=O)c1cn(-c2ccccc2)c(=O)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | c14cn5c(=O)c2ccccc12.c15ccccc1.C34=O.CO3 |
46276 | CN(C)C(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | c14cn5c(=O)c2ccccc12.c15ccc(Cl)cc1.CN3C.C34=O |
46277 | CNC(=O)c1cn(-c2ccccc2)c(=O)c2ccccc12 | [C][N][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | c14cn5c(=O)c2ccccc12.c15ccccc1.C34=O.CN3 |
46278 | CNC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 | [C][N][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | c14cn5c(=O)c2ccccc12.c15ccc(Cl)cc1.C34=O.CN3 |
46279 | CN(C)C(=O)c1cn(-c2ccccc2)c(=O)c2ccccc12 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | c14cn5c(=O)c2ccccc12.c15ccccc1.CN3C.C34=O |
46280 | Nc1ncc(-c2ccccn2)c(N2CCOCC2)n1 | [N][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | Nc1ncc4c3n1.c14ccccn1.N13CCOCC1 |
46281 | CSc1nc2nccc(-c3ccc(Cl)cc3)n2n1 | [C][S][C][N][=C][N][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][=N][N][=Ring1][S] | c14nc2nccc5n2n1.c15ccc(Cl)cc1.CS4 |
46282 | CN(C)c1nc(-c2ccccc2)ncc1S(C)(=O)=O | [C][N][Branch1][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][S][Branch1][C][C][=Branch1][C][=O][=O] | c13nc4ncc1S(C)(=O)=O.c14ccccc1.CN3C |
46283 | CN(C)c1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N(C)C)n1 | [C][N][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring2][Ring1][Ring1] | c13ncc(S(=O)(=O)c2ccc(Cl)cc2)c4n1.CN3C.N4(C)C |
46285 | CSc1nc(N2CCCC2)c2cnn(-c3ccccc3)c2n1 | [C][S][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=N][Ring2][Ring1][Ring2] | c16nc4c2cnn5c2n1.c15ccccc1.N14CCCC1.CS6 |
46286 | CNc1nc(SC)nc2c1cnn2-c1ccccc1 | [C][N][C][=N][C][Branch1][Ring1][S][C][=N][C][=C][Ring1][Branch2][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13nc5nc2c1cnn24.c14ccccc1.CN3.S5C |
46287 | COc1nc(SC)nc2c1cnn2-c1ccccc1 | [C][O][C][=N][C][Branch1][Ring1][S][C][=N][C][=C][Ring1][Branch2][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13nc5nc2c1cnn24.c14ccccc1.CO3.S5C |
46291 | COc1ccc(C(=O)Nc2ncc(Br)cn2)cc1 | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring1][S] | c14ccc6cc1.c15ncc(Br)cn1.C36=O.CO4.N35 |
46292 | Cn1c(=O)c2[nH]c(C3CCC(O)C3)nc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][NH1][C][Branch1][O][C][C][C][C][Branch1][C][O][C][Ring1][=Branch1][=N][C][=Ring1][O][N][Branch1][C][C][C][Ring1][P][=O] | Cn1c(=O)c2[nH]c4nc2n(C)c1=O.C14CCC(O)C1 |
46293 | Cc1c(C(=O)CSc2ccccc2Cl)sc2ncnn12 | [C][C][=C][Branch1][S][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][C][=N][C][=N][N][Ring2][Ring1][Ring1][Ring1][Branch1] | Cc1c4sc2ncnn12.c15ccccc1Cl.C4(=O)C3.S35 |
46295 | COc1cccc(SCC(=O)c2sc3ncnn3c2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][C][S][C][=N][C][=N][N][Ring1][Branch1][C][=Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c16sc2ncnn2c1C.c14cccc7c1.C5C6=O.CO4.S57 |
46296 | Cc1ccc(SCC(=O)c2sc3ncnn3c2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][C][S][C][=N][C][=N][N][Ring1][Branch1][C][=Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring1] | c15sc2ncnn2c1C.Cc1ccc6cc1.C4C5=O.S46 |
46297 | Cc1c(C(=O)CSc2ccc(F)cc2F)sc2ncnn12 | [C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][S][C][=N][C][=N][N][Ring2][Ring1][Ring2][Ring1][Branch1] | Cc1c4sc2ncnn12.c15ccc(F)cc1F.C4(=O)C3.S35 |
46298 | Cn1cc(-c2nnc(-c3cccs3)o2)c(C(F)(F)F)n1 | [C][N][C][=C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Ring1] | Cn1cc6c4n1.c16nnc5o1.c15cccs1.C4(F)(F)F |
46299 | Cn1cc(-c2nnc(-c3ccccc3)o2)c(C(F)(F)F)n1 | [C][N][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Ring2] | Cn1cc5c4n1.c15nnc6o1.c16ccccc1.C4(F)(F)F |
46301 | CC(C)NC(=O)N1CCC(c2nc3ccccc3s2)CC1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring1][#C] | c17nc2ccccc2s1.N15CCC7CC1.CC6C.C45=O.N46 |
46302 | COc1ccc(-c2nc(C)c(C(C)=O)s2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][S][Ring1][=Branch2][C][=C][Ring1][#C][O][C] | c13ccc6cc14.c16nc(C)c5s1.C5(C)=O.CO3.O4C |
46303 | CCOC(=O)c1c(C)nn(-c2cccc3cccnc23)c1C | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Ring1][S][C] | c17cccc2cccnc12.c16c(C)nn7c1C.C46=O.CC5.O45 |
46304 | CCOC(=O)CC1C(=O)NCCN1C(=O)Nc1ccc(Cl)cc1 | [C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | C17C(=O)NCCN13.c16ccc(Cl)cc1.C2(=O)C7.C34=O.CC5.O25.N46 |
46305 | COC(=O)c1scc(C)c1NC(=O)Nc1ccccc1 | [C][O][C][=Branch1][C][=O][C][S][C][=C][Branch1][C][C][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17scc(C)c15.c16ccccc1.C27=O.C34=O.CO2.N35.N46 |
46306 | O=C(Nc1ccccc1)N(Cc1ccccc1)CC(O)C(F)(F)F | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] | C5C(O)C(F)(F)F.c16ccccc1.c17ccccc1.O=C23.N345.N26.C47 |
46307 | Nc1nc(-c2ccccn2)ncc1S(=O)(=O)c1ccccc1 | [N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1nc3ncc1S(=O)(=O)c1ccccc1.c13ccccn1 |
46308 | Nc1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccccc1 | [N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1nc3ncc1S(=O)(=O)c1ccccc1.c13ccccc1 |
46309 | CN(C)c1ncc(S(=O)(=O)c2ccccc2)c(N)n1 | [C][N][Branch1][C][C][C][=N][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=N][Ring1][S] | c13ncc(S(=O)(=O)c2ccccc2)c(N)n1.CN3C |
46310 | Nc1nc(-c2cccnc2)ncc1S(=O)(=O)c1ccccc1 | [N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1nc3ncc1S(=O)(=O)c1ccccc1.c13cccnc1 |
46311 | Cc1ncc(S(=O)(=O)c2ccccc2)c(-c2ccccc2)n1 | [C][C][=N][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | Cc1ncc(S(=O)(=O)c2ccccc2)c3n1.c13ccccc1 |
46312 | Cc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccccc2)n1 | [C][C][=N][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | Cc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c3n1.c13ccccc1 |
46313 | COc1ccc(-c2nnnn2-c2ccc(F)c(F)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c14ccc(F)c(F)c1.c13ccc5cc1.c15nnnn14.CO3 |
46315 | CS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)c(Cl)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][Branch1][C][Cl][=C][Ring2][Ring1][C] | CS(=O)(=O)c1ccc5c(Cl)c1.c14ccc(F)cc1F.C35=O.N34 |
46317 | C=CCn1c(-c2ccc(Cl)cc2)ccc(C#N)c1=O | [C][=C][C][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=C][Branch1][Ring1][C][#N][C][Ring1][#C][=O] | n13c4ccc(C#N)c1=O.c14ccc(Cl)cc1.C=CC3 |
46318 | CCn1c(-c2ccc(Cl)cc2)ccc(C#N)c1=O | [C][C][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=C][Branch1][Ring1][C][#N][C][Ring1][#C][=O] | n13c4ccc(C#N)c1=O.c14ccc(Cl)cc1.CC3 |
46320 | COc1ccc(-c2nc(-c3ccccn3)ncc2S(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][Ring1][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][=Branch1] | c16nc5ncc1S(C)(=O)=O.c14ccc6cc1.c15ccccn1.CO4 |
46321 | CN(C)c1ncc(S(C)(=O)=O)c(-c2ccc(F)cc2)n1 | [C][N][Branch1][C][C][C][=N][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][P] | c13ncc(S(C)(=O)=O)c4n1.c14ccc(F)cc1.CN3C |
46322 | COc1ccc(-c2nc(N(C)C)ncc2S(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring1] | c15nc4ncc1S(C)(=O)=O.c13ccc5cc1.N4(C)C.CO3 |
46323 | Cc1ncc(S(=O)(=O)c2ccccc2)c(-c2ccccc2Cl)n1 | [C][C][=N][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][=Branch1] | Cc1ncc(S(=O)(=O)c2ccccc2)c3n1.c13ccccc1Cl |
46324 | CC(=O)n1nc(C)c(CS(=O)(=O)c2ccccc2)c1C | [C][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C] | CC(=O)n1nc(C)c3c1C.C3S(=O)(=O)c1ccccc1 |
46325 | Cc1nn(C)c(C)c1CS(=O)(=O)c1ccccc1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C2S(=O)(=O)c1ccccc1.Cc1nn(C)c(C)c12 |
46326 | Cc1c(-c2ncn(C)n2)sc(C#N)c1-c1ccccc1 | [C][C][=C][Branch1][O][C][N][=C][N][Branch1][C][C][N][=Ring1][=Branch1][S][C][Branch1][Ring1][C][#N][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1c3sc(C#N)c14.c13ncn(C)n1.c14ccccc1 |
46327 | COC(=O)c1c(C(=O)OC)c(-c2ccc(Cl)cc2)n2c1CCC2 | [C][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Ring1][S][C][C][C][Ring1][Branch1] | c15c6c7n2c1CCC2.c17ccc(Cl)cc1.C35=O.C46=O.CO3.O4C |
46329 | Cc1ccc(-c2nnc(C)c(N3CC(C)OC(C)C3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=N][N][=C][Branch1][C][C][C][Branch1][#C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c15nnc(C)c4n1.N14CC(C)OC(C)C1.Cc1ccc5cc1 |
46331 | O=C(Nc1ccnc(-c2ccncc2)n1)c1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccnc6n1.c15ccc(Cl)cc1.c16ccncc1.O=C35.N34 |
46332 | Cc1ccc(C(=O)Nc2ccnc(-c3ccncc3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][Branch1] | Cc1ccc6cc1.c15ccnc7n1.c17ccncc1.C46=O.N45 |
46333 | Cc1cc(C)c(S(=O)(=O)c2cccc(C)c2C)c(=O)[nH]1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring1] | Cc1cc(C)c(S(=O)(=O)c2cccc(C)c2C)c(=O)[nH]1 |
46334 | CC(C)CC(=O)Nc1ccnc(-c2ccncc2)n1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][N] | c14ccnc5n1.CC(C)CC3=O.c15ccncc1.N34 |
46336 | N#Cc1nnc(-c2cccs2)nc1N1CCOCC1 | [N][#C][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=C][Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | N#Cc1nnc4nc13.N13CCOCC1.c14cccs1 |
46337 | Cc1ccc(CNS(=O)(=O)NCc2ccc(C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.c16ccc(C)cc1.N3S(=O)(=O)N4.C35.C46 |
46338 | Cc1ccc(CNS(=O)(=O)NCc2ccc(Cl)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.c16ccc(Cl)cc1.N3S(=O)(=O)N4.C35.C46 |
46339 | O=S(=O)(NCc1ccccc1)NCc1ccc(Cl)cc1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.O=S(=O)(N2)N3.c14ccccc1.C24.C35 |
46340 | O=S(=O)(NCc1ccc(Cl)cc1)NCc1ccc(Cl)cc1 | [O][=S][=Branch1][C][=O][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.c15ccc(Cl)cc1.O=S(=O)(N2)N3.C24.C35 |
46341 | O=S(=O)(NCc1ccccc1)NCc1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S(=O)(N2)N3.c14ccccc1.c15ccccc1.C24.C35 |
46342 | O=S(=O)(NCc1ccccc1)NCc1ccc(Cl)cc1Cl | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c15ccc(Cl)cc1Cl.O=S(=O)(N2)N3.c14ccccc1.C24.C35 |
46343 | CNC(=O)c1ccccc1NCC(C)(C)C(=O)NC | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C] | c16ccccc15.C4C(C)(C)C3=O.C26=O.CN2.N45.N3C |
46344 | CCOC(=O)C1=C(C)NC(=O)CC1c1ccccc1Cl | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | C2(=O)C1=C(C)NC(=O)CC14.c14ccccc1Cl.CC3.O23 |
46345 | CCOC(=O)C1=C(C)NC(=O)CC1c1ccc(F)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(=O)CC14.c14ccc(F)cc1.CC3.O23 |
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