ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
7355 | N#Cc1ccsc1NC(=O)c1ccc2c(c1)CCO2 | [N][#C][C][C][=C][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] | c15ccc2c(c1)CCO2.N#Cc1ccsc14.C35=O.N34 |
7358 | CCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1C | [C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=C][C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][C][=C][Ring1][#C][C] | c16nc2ncccc2o1.c15cc6ccc1C.CCC4=O.N45 |
7359 | Cc1ccc(-c2csc3ncnc(N4CCC(O)CC4)c23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][=C][S][C][=N][C][=N][C][Branch1][N][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][=C][Ring1][S][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c16csc2ncnc5c12.Cc1ccc6cc1.N15CCC(O)CC1 |
7360 | O=C(Cn1nnc(-c2ccccc2F)n1)NCc1ccco1 | [O][=C][Branch2][Ring1][Ring2][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N][N][C][C][=C][C][=C][O][Ring1][Branch1] | c17ccccc1F.n15nnc7n1.c16ccco1.O=C3C5.N34.C46 |
7361 | CCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1C | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring1][#C][C] | c16nc2ncccc2o1.c15cccc6c1C.CCC4=O.N45 |
7362 | CCC(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=C][C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring1][S] | c16nc2ncccc2o1.c15ccc(Cl)c6c1.CCC4=O.N45 |
7366 | O=C(c1ccc(OC(F)(F)F)cc1)c1ncc[nH]1 | [O][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=N][C][=C][NH1][Ring1][Branch1] | c14ccc2cc1.O2C(F)(F)F.c13ncc[nH]1.O=C34 |
7367 | Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(F)cc1 | [C][C][O][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1oc(S3(=O)=O)cc15.c14ccc(F)cc1.N3(C)C.C25=O.N24 |
7368 | Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccccc1 | [C][C][O][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1oc(S3(=O)=O)cc15.c14ccccc1.N3(C)C.C25=O.N24 |
7369 | CC(=O)Oc1cc2sc(C)nc2c2sccc12 | [C][C][=Branch1][C][=O][O][C][=C][C][S][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][S][C][=C][C][Ring1][=N][=Ring1][Branch1] | c14cc2sc(C)nc2c2sccc12.CC3=O.O34 |
7370 | COC(=O)c1scc(C)c1NC(=O)C(C)(C)C | [C][O][C][=Branch1][C][=O][C][S][C][=C][Branch1][C][C][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C] | c15scc(C)c14.C3(=O)C(C)(C)C.C25=O.CO2.N34 |
7371 | COc1cc(OC)cc(-c2nc3ccccc3c(=O)o2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O][=C][Ring2][Ring1][Ring1] | c16nc2ccccc2c(=O)o1.c14cc5cc6c1.CO4.O5C |
7372 | OCc1ccc(-c2ccc(Br)cc2)o1 | [O][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][Ring1][N] | c14ccc(Br)cc1.c13ccc4o1.OC3 |
7373 | CN1C(=O)NC(c2ccccc2)C2=C1CN(Cc1ccco1)C2=O | [C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][O][=O] | CN1C(=O)NC5C2=C1CN3C2=O.c15ccccc1.c14ccco1.C34 |
7374 | CN1C(=O)NC(c2ccc(O)cc2)C2=C1CN(CCO)C2=O | [C][N][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][C][N][Branch1][Ring2][C][C][O][C][Ring1][Branch2][=O] | CN1C(=O)NC4C2=C1CN3C2=O.c14ccc(O)cc1.C3CO |
7375 | O=S(=O)(c1cccc2cccnc12)N1CCC(n2cccc2)CC1 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][C][Ring1][O] | O=S3(=O)c1cccc2cccnc12.N13CCC4CC1.n14cccc1 |
7376 | O=S(=O)(c1cccc2nonc12)N1CCC(n2cccc2)CC1 | [O][=S][=Branch1][C][=O][Branch1][=C][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][N][C][C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][C][Ring1][O] | O=S3(=O)c1cccc2nonc12.N13CCC4CC1.n14cccc1 |
7377 | CC1=C(C(N)=O)C(c2c(F)cccc2Cl)NC(=O)N1 | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][=Branch1][C][=O][N][Ring2][Ring1][C] | CC1=C(C(N)=O)C3NC(=O)N1.c13c(F)cccc1Cl |
7378 | CC1=C(C(N)=O)C(c2ccccc2Cl)NC(=O)N1 | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][=Branch1][C][=O][N][Ring1][P] | CC1=C(C(N)=O)C3NC(=O)N1.c13ccccc1Cl |
7380 | O=C(c1c(Cl)ccc(Cl)c1Cl)N1CCOCC1 | [O][=C][Branch1][S][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl][N][C][C][O][C][C][Ring1][=Branch1] | c13c(Cl)ccc(Cl)c1Cl.N12CCOCC1.O=C23 |
7381 | Cc1ccc(N2CC(C(=O)NCC(C)C)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6cc1.N16CC5CC1=O.C4C(C)C.C35=O.N34 |
7382 | O=C(NCC1CCCO1)c1c(Cl)ccc(Cl)c1Cl | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl] | c14c(Cl)ccc(Cl)c1Cl.C15CCCO1.O=C24.N23.C35 |
7383 | CCNc1nc(NC(C)C)nc(N2CCCC2)n1 | [C][C][N][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][#C] | c15nc6nc7n1.N17CCCC1.C4(C)C.CC3.N35.N46 |
7384 | O=S(=O)(c1cccc2cccnc12)N1CCc2ccccc2C1 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | O=S3(=O)c1cccc2cccnc12.N13CCc2ccccc2C1 |
7385 | c1ccc(OCc2nc(-c3cccs3)no2)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | c1ccc5cc1.c16nc7no1.c17cccs1.O45.C46 |
7386 | O=S(=O)(NCc1cccs1)c1cccc2cccnc12 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | O=S4(=O)c1cccc2cccnc12.c15cccs1.N34.C35 |
7387 | Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(n2cccc2)CC1 | [C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][C][Ring1][O] | Cc1nc5ccc14.N13CCC6CC1.n16cccc1.C5(F)(F)F.C34=O |
7388 | CCC(=O)Nc1sc2c(c1C(=O)OC)CCC(C)C2 | [C][C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][#Branch2][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][C][C][C][Branch1][C][C][C][Ring1][N] | c15sc2c(c16)CCC(C)C2.CCC4=O.C36=O.N45.O3C |
7389 | COC(=O)c1c(NC(=O)C(C)C)sc2c1CCC(C)C2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][S][C][=C][Ring1][O][C][C][C][Branch1][C][C][C][Ring1][#Branch1] | c16c5sc2c1CCC(C)C2.C4(=O)C(C)C.C36=O.CO3.N45 |
7391 | Cc1cc2c(c(SCC(=O)c3ccccc3)n1)C(=O)OC2 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][S][C][=Branch1][C][=O][O][C][Ring2][Ring1][C] | Cc1cc2c(c6n1)C(=O)OC2.c15ccccc1.C4C5=O.S46 |
7392 | CC1CN(C(=O)c2scc3c2OCCO3)CC(C)O1 | [C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][O][C][C][O][Ring1][=Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][C] | c15scc2c1OCCO2.CC1CN4CC(C)O1.C45=O |
7393 | COC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][C][=C][Ring1][=N][C][C][C][Ring1][Branch1] | c17c5sc2c1CCC2.c16ccco1.C37=O.C46=O.CO3.N45 |
7394 | COC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Ring1][#C][C][C][C][Ring1][Branch1] | c16c5sc2c1CCC2.c17ccccc1.C4(=O)C7.C36=O.CO3.N45 |
7396 | COC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][Ring1][Branch1] | c16c5sc2c1CCC2.c17cccnc1.C36=O.C47=O.CO3.N45 |
7397 | COC(=O)c1c(NC(=O)COc2ccc(C)cc2)sc2c1CCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][C][=C][Ring1][P][C][C][C][Ring1][Branch1] | c18c7sc2c1CCC2.c16ccc(C)cc1.C4(=O)C5.C38=O.CO3.N47.O56 |
7398 | CCOC(=O)c1c(NC(=O)C(C)C)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][S][C][Branch1][C][C][=C][Ring1][N][C] | c16c5sc(C)c1C.C3(=O)C(C)C.C26=O.CC4.O24.N35 |
7399 | CCOC(=O)c1c(NC(=O)C(C)(C)C)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][S][C][Branch1][C][C][=C][Ring1][=N][C] | c16c5sc(C)c1C.C3(=O)C(C)(C)C.C26=O.CC4.O24.N35 |
7400 | Clc1ccc(Oc2nnnn2-c2ccccc2)cc1 | [Cl][C][=C][C][=C][Branch1][P][O][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Clc1ccc4cc1.c13nnnn15.c15ccccc1.O34 |
7401 | CC(=O)c1ccc(NC2OCC(O)C(O)C2O)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][=C][Ring1][S] | C14OCC(O)C(O)C1O.c15ccc3cc1.CC5=O.N34 |
7402 | CN(C)c1nc(N)nc(Cn2nnc(-c3ccc4c(c3)OCO4)n2)n1 | [C][N][Branch1][C][C][C][=N][C][Branch1][C][N][=N][C][Branch2][Ring1][#Branch2][C][N][N][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][Ring1][=C][=N][Ring2][Ring1][=Branch1] | c18ccc2c(c1)OCO2.c15nc7nc(N)n1.n16nnc8n1.CN5C.C67 |
7403 | CCCn1nnc(NC(=O)Cc2ccc(Cl)cc2)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][S] | c16ccc(Cl)cc1.n15nnc4n1.C3(=O)C6.CCC5.N34 |
7404 | CCOC(=O)Cn1nnc(-c2ccc(C(C)(C)C)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][N][N][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=N][Ring1][#C] | c17ccc6cc1.n15nnc7n1.C3(=O)C5.C6(C)(C)C.CC4.O34 |
7405 | FC(F)(F)c1cc(-c2cccs2)n2ncnc2n1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][N][=C][N][=C][Ring1][Branch1][N][=Ring1][=C] | c13cc4n2ncnc2n1.c14cccs1.FC3(F)F |
7406 | CC(C)(O)C#Cc1ccc(C(=O)NCc2cccs2)s1 | [C][C][Branch1][C][C][Branch1][C][O][C][#C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][=C] | CC(C)(O)C#Cc1ccc5s1.c16cccs1.C35=O.N34.C46 |
7407 | Cc1cc(S(=O)(=O)N2CCCCC2)c(C)s1 | [C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][C][C][S][Ring1][#C] | Cc1cc(S3(=O)=O)c(C)s1.N13CCCCC1 |
7408 | N#Cc1nc2c(C#N)c3ccc4ccccc4n3c2nc1C#N | [N][#C][C][=N][C][C][Branch1][Ring1][C][#N][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=Ring1][#C][N][=C][Ring2][Ring1][Ring1][C][#N] | N#Cc1nc2c(C#N)c3ccc4ccccc4n3c2nc1C#N |
7409 | O=C(CN1C(=O)c2cccc3cccc1c23)NC1CC1 | [O][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][Ring1][Ring1] | O=C4CN1C(=O)c2cccc3cccc1c23.C15CC1.N45 |
7410 | Cn1c2ccccc2n2c3nc(C#N)c(C#N)nc3c(C#N)c12 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][Ring1][C][#N][N][=C][Ring1][#Branch2][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][=Branch1][Ring1][#C] | Cn1c2ccccc2n2c3nc(C#N)c(C#N)nc3c(C#N)c12 |
7411 | CC(=O)Oc1c(C)cc(C(O)(C(F)(F)F)C(F)(F)F)cc1C | [C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][P][C] | C4(O)(C(F)(F)F)C(F)(F)F.c13c(C)cc4cc1C.CC2=O.O23 |
7412 | CC(=O)Oc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][S] | C4(O)(C(F)(F)F)C(F)(F)F.c13ccc4cc1.CC2=O.O23 |
7414 | CC(=O)Oc1cc(C)c(C)cc1C(O)(C(F)(F)F)C(F)(F)F | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] | C4(O)(C(F)(F)F)C(F)(F)F.c13cc(C)c(C)cc14.CC2=O.O23 |
7415 | O=C(NCC1OCCc2ccccc21)c1ccccc1Br | [O][=C][Branch1][P][N][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | C4C1OCCc2ccccc21.c15ccccc1Br.O=C35.N34 |
7416 | NC(=O)C1CCN(C(=O)CSc2ccccn2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][S] | C15CCN3CC1.c16ccccn1.C3(=O)C4.NC5=O.S46 |
7418 | CCOC(=O)c1cc(N)n(-c2nc3cc(Cl)ccc3s2)n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][N][N][Branch1][P][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][N][=Ring1][S] | c17nc2cc(Cl)ccc2s1.c16cc(N)n7n1.C46=O.CC5.O45 |
7419 | COc1ccc(C(=O)NCC2OCCc3ccccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][O][C] | C7C1OCCc2ccccc21.c15ccc8cc16.C48=O.CO5.N47.O6C |
7420 | COc1ccc(CC(=O)NCC2OCCc3ccccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][O][C] | C7C1OCCc2ccccc21.c15ccc8cc16.C8C4=O.CO5.N47.O6C |
7421 | O=C1CC(c2ccccc2Cl)Cc2nc(NC3CC3)ncc21 | [O][=C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][=N][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=N][C][=C][Ring1][#Branch2][Ring2][Ring1][Branch1] | O=C1CC6Cc2nc4ncc21.c16ccccc1Cl.C15CC1.N45 |
7424 | COC(=O)CC1C(=O)NCCN1C(=O)NC1CCCCC1 | [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][C][C][Ring1][=Branch1] | C16C(=O)NCCN13.C15CCCCC1.C2(=O)C6.C34=O.CO2.N45 |
7425 | Cc1cc(C)n2nc(SCC(=O)N(C)c3ccccc3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][P][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n2nc7nc2n1.c16ccccc1.C5C4=O.N46C.S57 |
7426 | Cc1cc(C)c(C#N)c(SCC(=O)NC2CCCCC2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | Cc1cc(C)c(C#N)c6n1.C15CCCCC1.C4C3=O.S46.N35 |
7427 | Cc1cc(C)n2nc(SCC(=O)NC3CCCCC3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][S][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n2nc7nc2n1.C16CCCCC1.C5C4=O.S57.N46 |
7429 | C=C(C)Cn1c(SCC(=O)OCC)nc2ccccc2c1=O | [C][=C][Branch1][C][C][C][N][C][Branch1][#Branch2][S][C][C][=Branch1][C][=O][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] | n16c7nc2ccccc2c1=O.C=C(C)C6.C5C3=O.S57.O34.C4C |
7430 | CSc1nc(C)cc(-n2ccc(=O)[nH]c2=O)n1 | [C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=N][Ring1][#C] | c14nc3cc(C)n1.n13ccc(=O)[nH]c1=O.CS4 |
7431 | CSc1nc(C)cc(-n2cc(F)c(=O)[nH]c2=O)n1 | [C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][S][N][C][=C][Branch1][C][F][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][=N][Ring1][S] | n13cc(F)c(=O)[nH]c1=O.c14nc3cc(C)n1.CS4 |
7432 | CSc1nc(C)cc(-n2cc(Br)c(=O)[nH]c2=O)n1 | [C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][S][N][C][=C][Branch1][C][Br][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][=N][Ring1][S] | n13cc(Br)c(=O)[nH]c1=O.c14nc3cc(C)n1.CS4 |
7433 | Cc1nc(S(=O)(=O)N(C)c2ccccc2)c(C#N)c(C)c1Cl | [C][C][=N][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Ring1][C][#N][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][Cl] | Cc1nc(S3(=O)=O)c(C#N)c(C)c1Cl.c14ccccc1.N34C |
7434 | CCN(CC)S(=O)(=O)c1nc(C)c(Cl)c(C)c1C#N | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][Branch1][C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][=Branch2][C][#N] | S4(=O)(=O)c1nc(C)c(Cl)c(C)c1C#N.N234.CC2.C3C |
7435 | Cc1nc(S(=O)(=O)NC2CCCCC2)c(C#N)c(C)c1Cl | [C][C][=N][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][Ring1][C][#N][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][Cl] | Cc1nc(S3(=O)=O)c(C#N)c(C)c1Cl.C14CCCCC1.N34 |
7436 | O=C(CSc1nnnn1-c1ccc(O)cc1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc(O)cc1.c13ccc(F)cc1.c15nnnn14.O=C3C2.S25 |
7437 | CSc1nc2ccccc2c(=O)n1C1CCOC(C)(C)C1 | [C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2] | c14nc2ccccc2c(=O)n13.C13CCOC(C)(C)C1.CS4 |
7438 | Cc1cc(C)c2c(C)nn(C3CCOC(C)(C)C3)c2n1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=N][N][Branch1][#C][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][Ring1][=C][=N][Ring2][Ring1][Ring1] | Cc1cc(C)c2c(C)nn4c2n1.C14CCOC(C)(C)C1 |
7439 | COC(=O)Cc1nc(NS(=O)(=O)c2cccc(C)c2)sc1C | [C][O][C][=Branch1][C][=O][C][C][N][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][S][C][=Ring1][S][C] | S4(=O)(=O)c1cccc(C)c1.c16nc5sc1C.C3(=O)C6.CO3.N45 |
7440 | COC(=O)Cc1nc(NC(=O)c2ccc(OC)cc2)sc1C | [C][O][C][=Branch1][C][=O][C][C][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][C][=Ring1][S][C] | c18nc6sc1C.c17ccc5cc1.C3(=O)C8.C47=O.CO3.N46.O5C |
7441 | CCOC(=O)c1sc(NC(=O)C(C)(C)C)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][C][=Ring1][N][C] | c16sc5nc1C.C3(=O)C(C)(C)C.C26=O.CC4.O24.N35 |
7442 | CCOC(=O)C1CCN(c2cc(=O)n(C)c(=O)n2C)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][C][Ring1][S] | c15cc(=O)n(C)c(=O)n1C.C16CCN5CC1.C36=O.CC4.O34 |
7443 | CCC1(C)Cc2c(c(=O)n(-c3ccccc3)c3ncnc(N)c23)CO1 | [C][C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][C][Ring1][#Branch1][C][O][Ring2][Ring1][#Branch1] | C14(C)Cc2c(c(=O)n5c3ncnc(N)c23)CO1.c15ccccc1.CC4 |
7444 | Cc1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2n1 | [C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2] | Cc1cc6c2ccccc2n1.c17ccc2c(c1)OCO2.C5C4=O.O56.N47 |
7445 | N#Cc1c2c(c(=O)n(-c3ccccc3)c1N)CCCC2 | [N][#C][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=N][N][C][C][C][C][Ring1][P] | N#Cc1c2c(c(=O)n4c1N)CCCC2.c14ccccc1 |
7446 | CCC1(C)Cc2c(C#N)c(N)n(-c3ccccc3)c(=O)c2CO1 | [C][C][C][Branch1][C][C][C][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][S][C][O][Ring2][Ring1][Branch1] | C14(C)Cc2c(C#N)c(N)n5c(=O)c2CO1.c15ccccc1.CC4 |
7447 | CC1(C)CC2(CCO1)OC(=O)CC2C(=O)Nc1ccccc1Cl | [C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][C][O][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | CC1(C)CC2(CCO1)OC(=O)CC25.c14ccccc1Cl.C35=O.N34 |
7448 | COc1ccc(OC(=O)COc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch1][S][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc6cc1.c17ccccc1.C3(=O)C4.CO5.O36.O47 |
7449 | COc1ccccc1NC(=O)Nc1ccccc1OC | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c14ccccc16.c17ccccc15.C23=O.CO4.N26.N37.O5C |
7450 | C#Cc1cccc(-n2nnc(C(=O)OCC)c2C)c1 | [C][#C][C][=C][C][=C][C][Branch2][Ring1][C][N][N][=N][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][C][=C][Ring1][P] | C#Cc1cccc6c1.n16nnc5c1C.C35=O.O34.C4C |
7451 | O=C1CC(C(=O)Nc2ccccc2Cl)C2(CCCCC2)O1 | [O][=C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][Ring2][Ring1][Ring2] | O=C1CC5C2(CCCCC2)O1.c14ccccc1Cl.C35=O.N34 |
7452 | O=C1c2ccccc2CC1Sc1nnnn1-c1ccc(O)cc1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | O=C1c2ccccc2CC15.c13ccc(O)cc1.c14nnnn13.S45 |
7453 | Cc1nc2c(nnn2Cc2ccccc2)c(=O)n1Cc1ccccc1 | [C][C][=N][C][=C][Branch1][#C][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2c(nnn23)c(=O)n14.c15ccccc1.c16ccccc1.C35.C46 |
7454 | Cc1nc2c(nnn2Cc2ccccc2)c(=O)n1C | [C][C][=N][C][=C][Branch1][#C][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][P][C] | Cc1nc2c(nnn23)c(=O)n1C.c14ccccc1.C34 |
7455 | Cc1nc2c(nnn2Cc2ccccc2)c(=O)n1-c1ccccc1 | [C][C][=N][C][=C][Branch1][#C][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2c(nnn23)c(=O)n15.c14ccccc1.c15ccccc1.C34 |
7456 | CCOC(=O)c1c(N)nn(C(=O)CC)c1-c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][N][=N][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][=Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14c(N)nn(C(=O)CC)c15.c15ccccc1.C24=O.CC3.O23 |
7457 | Cc1ccc(Sc2ncccc2-c2nnc(C3CC3)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | Cc1ccc5cc1.c14ncccc17.c17nnc6o1.C16CC1.S45 |
7458 | COC(=O)c1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)n1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][N][Ring1][P][C] | c15ccc(S4(=O)=O)n1C.N14CCC6CC1.C35=O.C6(N)=O.CO3 |
7459 | COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)n1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][N][Ring1][#C][C] | c15ccc(S4(=O)=O)n1C.N14CCCCCC1.C35=O.CO3 |
7461 | COc1ccc2[nH]c(C(=O)NCc3ccc4c(c3)OCO4)cc2c1 | [C][O][C][=C][C][=C][NH1][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c16ccc2[nH]c8cc2c1.c19ccc2c(c1)OCO2.C58=O.CO6.N57.C79 |
7462 | Cc1cn(CCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc12 | [C][C][=C][N][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][=Branch1] | Cc1cn6c2ccccc12.c17ccc2c(c1)OCO2.C6CC4=O.N45.C57 |
7463 | COc1cccc(SCC(=O)N2CCN(c3ccccc3)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][S][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][Ring2][Ring1][=Branch1] | c15cccc8c1.N14CCN7CC1.c17ccccc1.C6C4=O.CO5.S68 |
7464 | O=C(CSc1ccc(F)cc1)N1CCN(c2ccccc2)CC1 | [O][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | c16ccc(F)cc1.N13CCN5CC1.c15ccccc1.O=C3C4.S46 |
7465 | CCn1nnnc1SCC(=O)N1CCN(c2ccccc2)CC1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | N13CCN5CC1.n16nnnc17.c15ccccc1.C4C3=O.CC6.S47 |
7466 | Cc1noc(C)c1-n1sc(=O)n(CC2CC2)c1=O | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][N][S][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][=O] | n15sc(=O)n3c1=O.Cc1noc(C)c15.C14CC1.C34 |
7467 | N#Cc1cc(-c2ccccc2)oc1NC(=O)c1cccs1 | [N][#C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | N#Cc1cc6oc14.c16ccccc1.c15cccs1.C35=O.N34 |
7468 | c1cncc(-c2nc(N3CCCC3)c3ccccc3n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][Branch2][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#C][=C][Ring2][Ring1][Branch1] | c15nc4c2ccccc2n1.c1cncc5c1.N14CCCC1 |
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