ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1926245 | CCn1c(SCC(=O)NCc2cn(C)nc2C)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | n16c8nc2ccccc21.c17cn(C)nc1C.C5C3=O.CC6.S58.N34.C47 |
1926246 | Cc1noc(C2CC2)c1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 | [C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][N][=Ring1][N] | Cc1noc6c14.c17ccc(F)cc1.c15cc7[nH]n1.C16CC1.C35=O.N34 |
1926247 | Cc1ccc(CN2CC(C(=O)N3CC(CO)C3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][C][Ring1][=Branch1][C][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc8cc1.N16CC5CC1=O.N14CC7C1.C45=O.C68.C7O |
1926248 | Cc1cccc(NC(=O)NC2CCCN(C(N)=O)C2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2][=C][Ring2][Ring1][Ring1] | Cc1cccc6c1.C17CCCN5C1.C34=O.C5(N)=O.N36.N47 |
1926249 | CC(=O)c1ccc(NC(=O)NC2CCCN(C(N)=O)C2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c18ccc6cc1.C17CCCN5C1.CC8=O.C34=O.C5(N)=O.N36.N47 |
1926250 | CCOc1oc(C(=O)NCC(C)(C)N2CCOCC2)nc1C | [C][C][O][C][O][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=Ring2][Ring1][C][C] | c15oc8nc1C.N17CCOCC1.C6C7(C)C.C38=O.CC4.O45.N36 |
1926251 | CN1CCc2nc(C(=O)NC3CCCCC3O)sc2C1 | [C][N][C][C][C][N][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][O][S][C][=Ring1][#C][C][Ring2][Ring1][Ring1] | CN1CCc2nc6sc2C1.C15CCCCC1O.C46=O.N45 |
1926252 | Cc1cc(C(C)NC(=O)Nc2ncnc3[nH]c(C)c(C)c23)c(C)o1 | [C][C][=C][C][Branch2][Ring1][=C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=N][C][=N][C][NH1][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][O][=Ring1][#Branch1][=C][Branch1][C][C][O][Ring2][Ring1][#Branch1] | c17ncnc2[nH]c(C)c(C)c12.Cc1cc8c(C)o1.C68C.C45=O.N46.N57 |
1926253 | COC1(C)CC(NC(=O)Nc2ccc(F)cn2)C1(C)C | [C][O][C][Branch1][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][Ring1][S][Branch1][C][C][C] | C15(C)CC7C1(C)C.c16ccc(F)cn1.C34=O.CO5.N37.N46 |
1926254 | COc1cccnc1NC(=O)NC1CCCOC1 | [C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][O][C][Ring1][=Branch1] | c14cccnc15.C16CCCOC1.C23=O.CO4.N25.N36 |
1926256 | CCc1n[nH]c(COC(=O)c2nc(-c3cccc(OC)c3)[nH]c2C)n1 | [C][C][C][=N][NH1][C][Branch2][Ring1][=N][C][O][C][=Branch1][C][=O][C][N][=C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][NH1][C][=Ring1][=N][C][=N][Ring2][Ring1][#Branch1] | c17nc%10[nH]c1C.c1%10cccc6c1.c18n[nH]c9n1.C47=O.CC8.C59.O45.O6C |
1926257 | N#CC(OC(=O)c1cccc2cn[nH]c12)C1CCOC1 | [N][#C][C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][C][=N][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][O][C][Ring1][Branch1] | c15cccc2cn[nH]c12.C16CCOC1.N#CC46.C35=O.O34 |
1926258 | Cc1ccccc1C(=O)NCC(=O)OCCc1c(C)n[nH]c1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C] | Cc1ccccc16.c17c(C)n[nH]c1C.C5C2=O.C36=O.C4C7.N35.O24 |
1926259 | O=C(Nc1cc2c(=O)[nH]cnc2cc1F)c1cccc(Cl)c1F | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][C][=Branch1][C][=O][NH1][C][=N][C][=Ring1][#Branch1][C][=C][Ring1][O][F][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F] | c14cc2c(=O)[nH]cnc2cc1F.c15cccc(Cl)c1F.O=C35.N34 |
1926260 | Cn1nnc2ccc(C(=O)NCCNC(=O)c3ccco3)cc21 | [C][N][N][=N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1] | Cn1nnc2ccc9cc21.c18ccco1.C49=O.C6C7.C58=O.N46.N57 |
1926261 | Cc1ccc(OC2CCN(c3nccnc3C#N)CC2)nc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][C][N][Branch1][O][C][=N][C][=C][N][=C][Ring1][=Branch1][C][#N][C][C][Ring1][=C][N][=C][Ring2][Ring1][Branch1] | c16nccnc1C#N.Cc1ccc4nc1.C15CCN6CC1.O45 |
1926262 | CC(C)OCCNC(=O)NCc1ccnc2ccccc12 | [C][C][Branch1][C][C][O][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c19ccnc2ccccc12.CC5C.C6C7.C34=O.O56.N37.N48.C89 |
1926263 | CC(C)(CC(N)=O)NC(=O)c1cnc2ccc(F)cc2c1 | [C][C][Branch1][C][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][C][F][=C][C][Ring1][#Branch1][=C][Ring1][O] | c15cnc2ccc(F)cc2c1.CC4(C)CC(N)=O.C35=O.N34 |
1926265 | CC(NCC(=O)N(C)C)c1nc(-c2ccc(F)c(Cl)c2)cs1 | [C][C][Branch1][N][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][S][Ring1][=N] | c17ccc(F)c(Cl)c1.c16nc7cs1.C5C3=O.CC46.N3(C)C.N45 |
1926266 | Cc1cnc(CNC(C)c2nc(C3CCCC3)no2)o1 | [C][C][=C][N][=C][Branch2][Ring1][#Branch1][C][N][C][Branch1][C][C][C][=N][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][O][Ring1][#Branch2][O][Ring2][Ring1][Ring1] | Cc1cnc6o1.c17nc8no1.C18CCCC1.C57C.C46.N45 |
1926267 | O=C(c1ccc(=O)[nH]c1)N1CCC(Oc2ccccn2)CC1 | [O][=C][Branch1][N][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N] | c16ccc(=O)[nH]c1.N13CCC5CC1.c14ccccn1.O=C36.O45 |
1926268 | O=C(CSc1ccc(F)cc1)N1CCC(Oc2ccccn2)CC1 | [O][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N] | c17ccc(F)cc1.N13CCC5CC1.c14ccccn1.O=C3C6.S67.O45 |
1926269 | Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccccn2)CC1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N] | Cc1noc(C)c1S5(=O)=O.N15CCC4CC1.c13ccccn1.O34 |
1926271 | COc1ccccc1NC(=O)N(Cc1cnc2ccccn12)C1CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][C][Ring1][Ring1] | c19cnc2ccccn12.c15ccccc17.C34=O.N468.C18CC1.CO5.N37.C69 |
1926272 | O=C(Nc1ccccc1F)N(Cc1cnc2ccccn12)C1CC1 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][C][Ring1][Ring1] | c18cnc2ccccn12.c16ccccc1F.O=C34.N457.C17CC1.N36.C58 |
1926273 | CCOc1ccccc1NC(=O)N(CC)Cc1cnc2ccccn12 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1] | c1%10cnc2ccccn12.c16ccccc19.C34=O.N478.CC5.O56.N39.C7C.C8%10 |
1926274 | Cn1nc(-c2ccccc2NS(=O)(=O)c2ccccc2)ccc1=O | [C][N][N][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring2][Ring1][=Branch1][=O] | S3(=O)(=O)c1ccccc1.Cn1nc5ccc1=O.c15ccccc14.N34 |
1926275 | Cc1ccccc1CC(=O)NCCn1nc(-n2cncn2)ccc1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][N][N][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][Ring1][O][=O] | n15nc7ccc1=O.Cc1ccccc16.n17cncn1.C6C3=O.C4C5.N34 |
1926276 | O=C(Nc1cc(-n2cncn2)ncn1)c1cc(Cl)ccc1Cl | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | c15cc(Cl)ccc1Cl.c14cc6ncn1.n16cncn1.O=C35.N34 |
1926277 | COc1ccccc1C(=O)Nc1cc(-n2cncn2)ncn1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O] | c14ccccc16.c15cc7ncn1.n17cncn1.C36=O.CO4.N35 |
1926278 | O=C(CCc1ccccc1)Nc1cc(-n2cncn2)ncn1 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O] | c14cc6ncn1.c15ccccc1.O=C3CC5.n16cncn1.N34 |
1926279 | O=C(Nc1cc(-n2cncn2)ncn1)c1cc2ccccc2o1 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c15cc2ccccc2o1.c14cc6ncn1.n16cncn1.O=C35.N34 |
1926280 | Cc1ccccc1CC(=O)Nc1cc(-n2cncn2)ncn1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O] | Cc1ccccc15.c14cc6ncn1.n16cncn1.C5C3=O.N34 |
1926281 | O=C(Cn1cncn1)Nc1cc(-n2ccc3ccccc32)ncn1 | [O][=C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][N][C][=C][C][Branch1][=C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][C][=N][Ring1][#C] | n17ccc2ccccc21.c15cc7ncn1.n16cncn1.O=C4C6.N45 |
1926282 | O=C(C1CCC1)N1CCC(S(=O)(=O)c2ccccc2)C1 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][C][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | N13CCC(S(=O)(=O)c2ccccc2)C1.C14CCC1.O=C34 |
1926283 | O=C(C1COc2ccccc2O1)N1Cc2cncnc2C1 | [O][=C][Branch1][#C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][N][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2] | C14COc2ccccc2O1.N13Cc2cncnc2C1.O=C34 |
1926284 | O=S(=O)(c1cccs1)N1Cc2cncnc2C1 | [O][=S][=Branch1][C][=O][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2] | N13Cc2cncnc2C1.O=S3(=O)c1cccs1 |
1926286 | CNC(=O)Cc1ccc(NC(=O)c2cnoc2C)cc1 | [C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1][C][C][=C][Ring1][#C] | c17ccc5cc1.c16cnoc1C.C3(=O)C7.C46=O.CN3.N45 |
1926287 | Cc1oncc1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 | [C][C][O][N][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N] | c14ccc6cc1.Cc1oncc15.C6C3=O.C25=O.N3(C)C.N24 |
1926288 | Cc1nn(C)c(C)c1S(=O)(=O)NCCC(O)c1ccccc1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nn(C)c(C)c1S3(=O)=O.c14ccccc1.C2CC4O.N23 |
1926289 | Cc1oncc1C(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 | [C][C][O][N][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#C] | c15ccc7cc1.Cc1oncc16.C4C(F)(F)F.C7C3=O.C26=O.N25.N34 |
1926290 | Cc1cc(CNS(=O)(=O)c2cn(C)cn2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][=C][Branch1][C][C][O][Ring1][P] | S4(=O)(=O)c1cn(C)cn1.Cc1cc5c(C)o1.C35.N34 |
1926292 | Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(c2cccs2)CC1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][O] | Cc1nn(C)c(C)c1S3(=O)=O.N13CCC4CC1.c14cccs1 |
1926293 | COCCN(Cc1ccoc1)S(=O)(=O)c1cn(C)cn1 | [C][O][C][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1] | S5(=O)(=O)c1cn(C)cn1.c16ccoc1.C2C3.N345.CO2.C46 |
1926294 | Cc1nsc(C(=O)N2CCc3ccccc3C2)n1 | [C][C][=N][S][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][P] | N14CCc2ccccc2C1.Cc1nsc5n1.C45=O |
1926295 | Cc1nsc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1 | [C][C][=N][S][C][Branch2][Ring1][#Branch2][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][=N][Ring2][Ring1][Ring2] | c16ccc(S(N)(=O)=O)cc1.Cc1nsc5n1.C35=O.C4C6.N34 |
1926296 | COc1ccccc1CCNC(=O)c1nc(C)ns1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][C][=N][S][Ring1][=Branch1] | c13ccccc16.c15nc(C)ns1.C6C4.C25=O.CO3.N24 |
1926297 | COc1cccc(CCNC(=O)c2nc(C)ns2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][C][=N][S][Ring1][=Branch1][=C][Ring1][P] | c14cccc7c1.c16nc(C)ns1.C7C5.C36=O.CO4.N35 |
1926298 | O=C(NCCn1ccc(-c2ccncc2)n1)c1ccco1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][C][=C][O][Ring1][Branch1] | n16ccc7n1.c17ccncc1.c15ccco1.O=C35.C4C6.N34 |
1926300 | COC(=O)C1CC(=O)N(C(c2ccccc2)c2ccccc2)C1 | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1] | C14CC(=O)N5C1.c16ccccc1.c17ccccc1.C34=O.C567.CO3 |
1926301 | Fc1ccc(NCc2ccco2)cc1Br | [F][C][=C][C][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=N][Br] | Fc1ccc4cc1Br.c15ccco1.N34.C35 |
1926302 | COC(=O)c1ccccc1CN1CCN(C(C)=O)CC1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2] | c15ccccc16.N14CCN3CC1.C25=O.C3(C)=O.CO2.C46 |
1926303 | CN(C)C(=O)N1CCN(Cc2ccncc2)CC2(CNC(=O)C2)C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Branch1][#Branch2][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][C][Ring2][Ring1][Ring1] | N14CCN5CC2(CNC(=O)C2)C1.c16ccncc1.CN3C.C34=O.C56 |
1926304 | CC(C)C(=O)N1CCN(Cc2ccncc2)CC2(CC(=O)N(C)C2)C1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Branch1][=N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1][C][Ring2][Ring1][Ring2] | N13CCN4CC2(CC(=O)N(C)C2)C1.c15ccncc1.CC(C)C3=O.C45 |
1926305 | COCCn1c(C(=O)NCCO)cc2c1c1ccccc1n2C | [C][O][C][C][N][C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][=C][C][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | n17c6cc2c1c1ccccc1n2C.C4C7.C36=O.C5CO.CO4.N35 |
1926306 | COCCCNC(=O)c1cc2c(c3ccccc3n2C)n1C | [C][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][C] | c17cc2c(c3ccccc3n2C)n1C.C5CC6.C47=O.CO5.N46 |
1926307 | CCOCCCNC(=O)c1cc2c(c3ccccc3n2C)n1C | [C][C][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][C] | c18cc2c(c3ccccc3n2C)n1C.C6CC7.C48=O.CC5.O56.N47 |
1926308 | COCCCNC(=O)c1cc2c(c3ccccc3n2C)n1C(C)C | [C][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][C][Branch1][C][C][C] | c17cc2c(c3ccccc3n2C)n18.C5CC6.C47=O.C8(C)C.CO5.N46 |
1926309 | CCOCCCNC(=O)c1cc2c(c3ccccc3n2C)n1C(C)C | [C][C][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][C][Branch1][C][C][C] | c18cc2c(c3ccccc3n2C)n19.C6CC7.C48=O.C9(C)C.CC5.O56.N47 |
1926310 | Cn1c2ccccc2c2c1cc(C(=O)NCCO)n2-c1ncccn1 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][N][Ring1][O][C][=N][C][=C][C][=N][Ring1][=Branch1] | Cn1c2ccccc2c2c1cc5n26.c16ncccn1.C35=O.C4CO.N34 |
1926311 | Cn1c2ccccc2c2c1cc(C(=O)NCCC#N)n2-c1ncccn1 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][#N][N][Ring1][N][C][=N][C][=C][C][=N][Ring1][=Branch1] | Cn1c2ccccc2c2c1cc5n26.c16ncccn1.C4CC#N.C35=O.N34 |
1926312 | COCCn1c(C(=O)NCCO)cc2c1c1ccccc1n2C(C)C | [C][O][C][C][N][C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][=C][C][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][C] | n17c6cc2c1c1ccccc1n28.C4C7.C36=O.C5CO.C8(C)C.CO4.N35 |
1926313 | COCCCNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C | [C][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][C][N][Ring1][#C][C] | c17cc2c(c3ccccc3n28)n1C.C5CC6.C47=O.C8(C)C.CO5.N46 |
1926314 | CCOCCCNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C | [C][C][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][C][N][Ring1][#C][C] | c18cc2c(c3ccccc3n29)n1C.C6CC7.C48=O.C9(C)C.CC5.O56.N47 |
1926315 | O=C(NCCO)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn12 | [O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][N][Ring1][#C][Ring1][N] | c17ccc2ccc8cn12.c16ccnn17.c18cccnc1.O=C46.C5CO.N45 |
1926316 | Cc1cnc(CNC(=O)c2ccn(-c3ccc4ccccn34)n2)cn1 | [C][C][=C][N][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][=C][C][=C][C][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][N][=Ring1][=C][C][=N][Ring2][Ring1][Branch2] | c19ccc2ccccn12.Cc1cnc8cn1.c17ccn9n1.C57=O.C68.N56 |
1926317 | CC(C)N1CCN(C(=O)c2ccn(-c3ccc4ccccn34)n2)CC1 | [C][C][Branch1][C][C][N][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][C][=C][N][Branch1][=C][C][=C][C][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][N][=Ring1][=C][C][C][Ring2][Ring1][=Branch1] | c18ccc2ccccn12.N16CCN5CC1.c17ccn8n1.CC6C.C57=O |
1926318 | O=C(NCCO)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1 | [O][=C][Branch1][Branch1][N][C][C][O][C][C][=C][N][Branch2][Ring1][Branch2][C][=C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][N][Ring1][#C][Ring1][N][N][=Ring2][Ring1][Ring2] | c18ccc2ccc9cn12.c17ccn8n1.c19ccncc1.O=C57.C6CO.N56 |
1926319 | O=C(c1ccc(F)cc1)N1CCN2CC(Oc3cncnc3)CC2C1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][C][C][Branch1][#Branch2][O][C][=C][N][=C][N][=C][Ring1][=Branch1][C][C][Ring1][N][C][Ring1][S] | N14CCN2CC5CC2C1.c17ccc(F)cc1.c16cncnc1.O=C47.O56 |
1926320 | Fc1cnc(N2CCN3CC(OCc4ccccn4)CC3C2)nc1 | [F][C][=C][N][=C][Branch2][Ring1][#Branch2][N][C][C][N][C][C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][C][Ring1][P][N][=C][Ring2][Ring1][#Branch1] | N17CCN2CC6CC2C1.Fc1cnc7nc1.c18ccccn1.O56.C58 |
1926321 | O=C(C1COCC2CN(Cc3cccs3)CC21)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch2][C][C][O][C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][O][Ring1][#C][N][C][C][O][C][C][Ring1][=Branch1] | C16COCC2CN5CC12.N14CCOCC1.c17cccs1.O=C46.C57 |
1926322 | O=C(NCc1ccco1)C1COCC2CN(c3ncccn3)CC21 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][O][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][O][Ring1][#C] | C17COCC2CN6CC12.c16ncccn1.c18ccco1.O=C47.N45.C58 |
1926323 | O=C(NCc1ccco1)C1COCC2CN(c3ncc(F)cn3)CC21 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][O][C][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C][Ring1][N][Ring1][S] | C17COCC2CN6CC12.c16ncc(F)cn1.c18ccco1.O=C47.N45.C58 |
1926324 | COc1ncccc1CN1CCC2OCCC2(C(=O)NCC2CC2)C1 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][O][C][C][C][Ring1][Branch1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][Ring1][S] | N15CCC2OCCC27C1.c14ncccc19.C37=O.C18CC1.CO4.C59.N36.C68 |
1926325 | COc1ncccc1CN1CCC2OCCC2(C(=O)N(C)C)C1 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][O][C][C][C][Ring1][Branch1][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][=C] | N15CCC2OCCC26C1.c14ncccc17.C36=O.N3(C)C.CO4.C57 |
1926327 | Cc1noc(C23CCOC2CCN(C(=O)c2cc(C)[nH]c2C)C3)n1 | [C][C][=N][O][C][Branch2][Ring1][S][C][C][C][O][C][Ring1][Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][NH1][C][=Ring1][=Branch1][C][C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1] | C126CCOC1CCN4C2.c15cc(C)[nH]c1C.Cc1noc6n1.C45=O |
1926328 | CNC(=O)C12CCOC1CCN(Cc1cccnc1OC)C2 | [C][N][C][=Branch1][C][=O][C][C][C][O][C][Ring1][Branch1][C][C][N][Branch1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][C][Ring2][Ring1][C] | C126CCOC1CCN5C2.c17cccnc14.C36=O.CN3.C57.O4C |
1926329 | Cn1cc(CN2CC3OCCC3C(C(=O)NCC3CC3)C2)cn1 | [C][N][C][=C][Branch2][Ring1][N][C][N][C][C][O][C][C][C][Ring1][Branch1][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][Ring1][S][C][=N][Ring2][Ring1][=Branch1] | N15CC7C2CCOC2C1.Cn1cc9cn1.C47=O.C18CC1.C59.N46.C68 |
1926330 | O=C(C1CN(Cc2nccs2)CC2OCCC21)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch2][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][O][C][C][C][Ring1][Branch1][Ring1][#C][N][C][C][O][C][C][Ring1][=Branch1] | C15CN4CC2OCCC12.N13CCOCC1.c16nccs1.O=C35.C46 |
1926331 | Cn1cc(CN2CC3OCCC3C(C(=O)NCc3ccco3)C2)cn1 | [C][N][C][=C][Branch2][Ring1][#C][C][N][C][C][O][C][C][C][Ring1][Branch1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][C][C][=N][Ring2][Ring1][Branch2] | N15CC7C2CCOC2C1.Cn1cc9cn1.c18ccco1.C47=O.C59.N46.C68 |
1926332 | CS(=O)(=O)N1CC(C(=O)NCc2cccnc2)CC2OCCC21 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][O][C][C][C][Ring1][Branch1][Ring2][Ring1][Ring1] | N15CC6CC2OCCC21.c17cccnc1.CS5(=O)=O.C36=O.N34.C47 |
1926333 | O=C(NCc1cccs1)C1CC2OCCC2N(Cc2ccoc2)C1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][O][C][C][C][Ring1][Branch1][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][#C] | C16CC2OCCC2N5C1.c17cccs1.c18ccoc1.O=C36.N34.C47.C58 |
1926334 | COCC12CCCOC1CCN(C(=O)c1ccoc1C)C2 | [C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring2][Ring1][C] | C126CCCOC1CCN3C2.c15ccoc1C.C35=O.CO4.C46 |
1926335 | COCC12CCCOC1CCN(C(=O)c1ccc(C)nc1)C2 | [C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1] | C126CCCOC1CCN3C2.c15ccc(C)nc1.C35=O.CO4.C46 |
1926336 | COCC12CCCOC1CCN(C(=O)Cc1ccsc1)C2 | [C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][=C][S][C][=Ring1][Branch1][C][Ring2][Ring1][C] | C125CCCOC1CCN3C2.c16ccsc1.C3(=O)C6.CO4.C45 |
1926337 | COCC12CCCOC1CCN(C(=O)COc1ccccc1)C2 | [C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2] | C127CCCOC1CCN3C2.c16ccccc1.C3(=O)C5.CO4.C47.O56 |
1926338 | COCC12CCCOC1CCN(C(=O)c1ccc3ccccc3c1)C2 | [C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring2][Ring1][=Branch1] | C127CCCOC1CCN4C2.c16ccc2ccccc2c1.C46=O.CO5.C57 |
1926339 | COCC12CCCOC1CCN(C(=O)c1cccnc1OC)C2 | [C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][C][Ring2][Ring1][Ring2] | C127CCCOC1CCN3C2.c16cccnc15.C36=O.CO4.C47.O5C |
1926340 | COCC12CCCOC1CCN(C(=O)COc1ccc(C)cc1)C2 | [C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Branch1] | C127CCCOC1CCN3C2.c16ccc(C)cc1.C3(=O)C5.CO4.C47.O56 |
1926341 | COCC12CCCOC1CCN(C(=O)COc1ccc(F)cc1)C2 | [C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Branch1] | C127CCCOC1CCN3C2.c16ccc(F)cc1.C3(=O)C5.CO4.C47.O56 |
1926343 | CCOCC12CCCOC1CCN(C(=O)Cc1ccsc1)C2 | [C][C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][=C][S][C][=Ring1][Branch1][C][Ring2][Ring1][C] | C126CCCOC1CCN3C2.c17ccsc1.C3(=O)C7.CC4.O45.C56 |
1926344 | CCOCC12CCCOC1CCN(C(=O)COc1ccccc1)C2 | [C][C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2] | C128CCCOC1CCN3C2.c17ccccc1.C3(=O)C6.CC4.O45.C58.O67 |
1926345 | CCOCC12CCCOC1CCN(C(=O)c1cccnc1OC)C2 | [C][C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][C][Ring2][Ring1][Ring2] | C128CCCOC1CCN3C2.c17cccnc16.C37=O.CC4.O45.C58.O6C |
1926346 | C=CCOCC12CCCOC1CCN(C(=O)c1ccoc1)C2 | [C][=C][C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][P] | C127CCCOC1CCN3C2.c16ccoc1.C=CC4.C36=O.O45.C57 |
1926347 | C=CCOCC12CCCOC1CCN(C(=O)c1ccc(C)nc1)C2 | [C][=C][C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1] | C127CCCOC1CCN3C2.c16ccc(C)nc1.C=CC4.C36=O.O45.C57 |
1926348 | C=CCOCC12CCCOC1CCN(C(=O)c1cc(C)oc1C)C2 | [C][=C][C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | C127CCCOC1CCN3C2.c16cc(C)oc1C.C=CC4.C36=O.O45.C57 |
1926349 | C=CCOCC12CCCOC1CCN(C(=O)Cc1ccsc1)C2 | [C][=C][C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][=C][S][C][=Ring1][Branch1][C][Ring2][Ring1][C] | C126CCCOC1CCN3C2.c17ccsc1.C3(=O)C7.C=CC4.O45.C56 |
1926350 | C=CCOCC12CCCOC1CCN(C(=O)COc1ccccc1)C2 | [C][=C][C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2] | C128CCCOC1CCN3C2.c17ccccc1.C3(=O)C6.C=CC4.O45.C58.O67 |
1926351 | C=CCOCC12CCCOC1CCN(C(=O)c1cccnc1OC)C2 | [C][=C][C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][C][Ring2][Ring1][Ring2] | C128CCCOC1CCN3C2.c17cccnc16.C=CC4.C37=O.O45.C58.O6C |
1926352 | Cc1ccc(N2CCC3OCCCC3(COCC3CC3)C2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][C][O][C][C][C][C][Ring1][=Branch1][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][Ring1][S][N][=N][Ring2][Ring1][=Branch1] | N16CCC2OCCCC27C1.Cc1ccc6nn1.C18CC1.C47.O45.C58 |
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