ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
47403 | O=C(Nc1ccn(Cc2ccccc2)n1)c1cc2ccccc2oc1=O | [O][=C][Branch2][Ring1][Ring2][N][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O] | c15cc2ccccc2oc1=O.c14ccn6n1.c17ccccc1.O=C35.N34.C67 |
47404 | COc1ccc(CC(=O)NCCc2nc3ccccc3[nH]2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1][O][C] | c18nc2ccccc2[nH]1.c15ccc9cc16.C9C4=O.C7C8.CO5.N47.O6C |
47405 | COCc1cnc(Nc2nc3ccccc3s2)nc1C(=O)OC | [C][O][C][C][=C][N][=C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][=C][Ring1][S][C][=Branch1][C][=O][O][C] | c17nc2ccccc2s1.c19cnc6nc18.C48=O.CO5.C59.N67.O4C |
47406 | FC(F)(F)Oc1ccc(-n2cc(Br)cn2)cc1 | [F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch1][O][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1][C][=C][Ring1][N] | c13ccc4cc1.n14cc(Br)cn1.FC(F)(F)O3 |
47407 | Cc1nn(C)cc1S(=O)(=O)NCc1ccccc1Cl | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | Cc1nn(C)cc1S3(=O)=O.c14ccccc1Cl.N23.C24 |
47408 | COC(=O)c1cccc2c1C(=O)N(c1cccc(C(F)(F)F)c1)C2 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Ring1][S] | c14cccc2c1C(=O)N6C2.c16cccc5c1.C5(F)(F)F.C34=O.CO3 |
47409 | CCOC(=O)c1nn(-c2ccccc2)c2c1CCc1occc1-2 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][C][C][O][C][=C][C][=Ring1][Branch1][Ring1][=Branch2] | c15nn6c2c1CCc1occc1-2.c16ccccc1.C35=O.CC4.O34 |
47410 | Cc1cc(C(=O)C(O)c2cc(C)sc2C)c(C)s1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][C][O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][=C][Branch1][C][C][S][Ring1][P] | Cc1cc3c(C)s1.c14cc(C)sc1C.C3(=O)C4O |
47411 | Cc1cccc(N2C(=O)CC(c3ccsc3)C3=C2COC3=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][=C][Ring1][N][C][O][C][Ring1][Branch1][=O][=C][Ring2][Ring1][=Branch1] | N14C(=O)CC5C2=C1COC2=O.Cc1cccc4c1.c15ccsc1 |
47412 | Cc1nc2sc(C(=O)N3CCC(C)CC3)c(N)c2c(C)c1C | [C][C][=N][C][S][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][Branch1][C][N][C][=Ring1][#C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][C] | Cc1nc2sc5c(N)c2c(C)c1C.N14CCC(C)CC1.C45=O |
47413 | Cc1nc(SCC(=O)N2CCC(C)CC2)c(C#N)c(C)c1C | [C][C][=N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][Branch1][Ring1][C][#N][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][C] | Cc1nc5c(C#N)c(C)c1C.N13CCC(C)CC1.C4C3=O.S45 |
47414 | COc1ccc(S(=O)(=O)NCc2ccco2)c2cccnc12 | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][N][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c13ccc(S5(=O)=O)c2cccnc12.c16ccco1.CO3.N45.C46 |
47415 | CCc1nc2c(sc3nc(C)cc(COC)c32)c(=O)n1CCO | [C][C][C][=N][C][=C][Branch2][Ring1][Ring2][S][C][=N][C][Branch1][C][C][=C][C][Branch1][Ring2][C][O][C][=C][Ring1][#Branch2][Ring1][=N][C][=Branch1][C][=O][N][Ring2][Ring1][C][C][C][O] | c16nc2c(sc3nc(C)cc7c32)c(=O)n15.C5CO.CC6.C47.O4C |
47418 | CCS(=O)(=O)c1nc2ccccc2n1Cc1ccccn1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | CCS(=O)(=O)c1nc2ccccc2n13.c14ccccn1.C34 |
47420 | CCNc1nc(N)nc(Oc2ccc(=O)n(C)n2)n1 | [C][C][N][C][=N][C][Branch1][C][N][=N][C][Branch1][S][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][=N][Ring1][S] | c16nc3nc(N)n1.c14ccc(=O)n(C)n1.CC5.N56.O34 |
47421 | Cc1cccc(Cn2nc(C)cc2NC(=O)c2cnccn2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | Cc1cccc7c1.n16nc(C)cc14.c15cnccn1.C35=O.C67.N34 |
47422 | Cc1cccc(Cn2ccc(NC(=O)c3ccc4c(c3)OCO4)n2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][S][C][N][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][Ring1][P][=C][Ring2][Ring1][Branch2] | c17ccc2c(c1)OCO2.Cc1cccc9c1.n18ccc6n1.C57=O.C89.N56 |
47423 | Cc1cccc(Cn2nc(C)cc2NC(=O)c2cccnc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | Cc1cccc7c1.n16nc(C)cc14.c15cccnc1.C35=O.C67.N34 |
47424 | CC(NC(=O)c1nc(-c2ccc3c(c2)OCO3)no1)c1ccccc1 | [C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][O][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c18ccc2c(c1)OCO2.c16nc8no1.c17ccccc1.CC57.C46=O.N45 |
47425 | O=C(NCC1CCCO1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring1][#C] | c18ccc7cc1.c15nc8no1.C16CCCO1.C7(F)(F)F.O=C35.N34.C46 |
47426 | CCC(NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1 | [C][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17cc3c4c5c1.c18ccccc1.CCC68.C27=O.N26.O3C.O4C.O5C |
47427 | O=C(Nc1ccccc1C(=O)Cc1ccccc1)c1ccco1 | [O][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] | c13ccccc15.c16ccccc1.c14ccco1.C5(=O)C6.O=C24.N23 |
47429 | COC(=O)CCC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | C2(=O)CCC3=O.c15ccccc17.c16cccc(C)c1.C47=O.CO2.N35.N46 |
47430 | CS(=O)(=O)N1CCCc2cc(Br)ccc21 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][O] | N13CCCc2cc(Br)ccc21.CS3(=O)=O |
47431 | COC(=O)c1ccccc1SCC(=O)Nc1cccc(OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | c17ccccc18.c16cccc4c1.C5C3=O.C27=O.CO2.S58.N36.O4C |
47432 | COc1cccc(SCC(=O)c2ccccc2)c1OC | [C][O][C][=C][C][=C][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][O][C] | c13cccc7c14.c16ccccc1.C5C6=O.CO3.S57.O4C |
47433 | Nc1cc(C(=O)NC2CC2)cc(C(=O)NC2CC2)c1 | [N][C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][C] | Nc1cc7cc8c1.C37=O.C15CC1.C48=O.C16CC1.N35.N46 |
47434 | OCC1(CO)COC(c2ccc(Cl)cc2Cl)=N1 | [O][C][C][Branch1][Ring1][C][O][C][O][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring1][#C] | C134COC(c2ccc(Cl)cc2Cl)=N1.OC3.C4O |
47435 | O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ncccn2)CC1 | [O][=C][Branch1][S][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | c15cc(F)c(F)cc1Cl.N13CCN4CC1.c14ncccn1.O=C35 |
47436 | COC(=O)COc1ccc(S(N)(=O)=O)cc1C | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C] | c14ccc(S(N)(=O)=O)cc1C.C2(=O)C3.CO2.O34 |
47437 | COc1cc(C2=NC(CO)(CO)CO2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][S][C][=N][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][O][Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c13cc(C2=NC67CO2)cc4c15.CO3.C6O.C7O.O4C.O5C |
47438 | CCOC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][S] | c17ccc8cc1.c19ccccc1F.C34=O.C59=O.CC6.O36.N47.N58 |
47439 | Cn1nnnc1SCC(=O)c1ccc(C(C)(C)C)cc1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] | c13ccc4cc1.Cn1nnnc15.C2C3=O.C4(C)(C)C.S25 |
47440 | COC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccco2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][Ring2] | c18ccc5c6c1.N15CCCCC1.c17ccco1.C38=O.C47=O.CO3.N46 |
47441 | Cc1cc(OCC(=O)N2CCOCC2)ccc1N | [C][C][=C][C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][S][N] | Cc1cc5ccc1N.N13CCOCC1.C4C3=O.O45 |
47442 | Cn1c(=O)c2cc(Br)ccc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][Ring1][=N][=O] | Cn1c(=O)c2cc(Br)ccc2n(C)c1=O |
47444 | COc1cc(S(=O)(=O)NC(C)(C)C)c(OC)cc1Cl | [C][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][S][Cl] | c12cc(S5(=O)=O)c3cc1Cl.C4(C)(C)C.CO2.N45.O3C |
47445 | COc1cc(S(=O)(=O)NCc2ccccc2)c(OC)cc1Cl | [C][O][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][Ring1][Cl] | c13cc(S6(=O)=O)c4cc1Cl.c17ccccc1.CO3.N56.C57.O4C |
47446 | CCN(CC)S(=O)(=O)c1cc(OC)c(Cl)cc1OC | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][Cl][C][=C][Ring1][=Branch2][O][C] | S6(=O)(=O)c1cc2c(Cl)cc13.N456.CC4.C5C.O2C.O3C |
47447 | Cc1nn2c(CNc3ccccc3)nnc2c2ccccc12 | [C][C][=N][N][C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | Cc1nn2c6nnc2c2ccccc12.c15ccccc1.C46.N45 |
47448 | CC1CC(=O)c2cnc(N3CCc4ccccc43)nc2C1 | [C][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][=C][Ring1][#C][C][Ring2][Ring1][Ring2] | CC1CC(=O)c2cnc5nc2C1.N15CCc2ccccc21 |
47449 | O=C(c1ccncc1)c1ccc(NC(=O)c2cccs2)cc1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C] | c17ccc4cc1.c16ccncc1.c15cccs1.O=C67.C35=O.N34 |
47451 | Cn1nc(C(=O)N2CCCc3ccccc32)c2ccccc2c1=O | [C][N][N][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O] | Cn1nc5c2ccccc2c1=O.N14CCCc2ccccc21.C45=O |
47452 | Cn1nc(C(=O)NCCc2ccccc2)c2ccccc2c1=O | [C][N][N][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] | Cn1nc5c2ccccc2c1=O.c16ccccc1.C35=O.C4C6.N34 |
47453 | Cn1nc(C(=O)NC(C)(C)C)c2ccccc2c1=O | [C][N][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] | Cn1nc5c2ccccc2c1=O.C4(C)(C)C.C35=O.N34 |
47454 | Cn1nc(C(=O)N2CCc3ccccc32)c2ccccc2c1=O | [C][N][N][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] | Cn1nc5c2ccccc2c1=O.N14CCc2ccccc21.C45=O |
47455 | COC(=O)Cn1c(=O)c2c(c3ccccc31)CCC2 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][C][Ring1][O] | n15c(=O)c2c(c3ccccc31)CCC2.C4(=O)C5.CO4 |
47456 | CC(=O)NC1C(=O)N(C)c2c(C)ccc(Cl)c21 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Ring1][=N] | N3C1C(=O)N(C)c2c(C)ccc(Cl)c21.CC3=O |
47457 | Cn1c(=O)c2c(-c3ccccc3)n(-c3ccccn3)cc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P][N][Branch1][C][C][C][Ring2][Ring1][#Branch1][=O] | Cn1c(=O)c2c5n4cc2n(C)c1=O.c15ccccc1.c14ccccn1 |
47458 | Cn1c(=O)c2c(c3ccccc31)OC(=O)CC2c1cccnc1 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][O][C][=Branch1][C][=O][C][C][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cn1c(=O)c2c(c3ccccc31)OC(=O)CC2c1cccnc1 |
47459 | Cc1cccn2c3c(c(=O)nc12)C(c1ccccc1)CC(=O)N3 | [C][C][=C][C][=C][N][C][=C][Branch1][O][C][=Branch1][C][=O][N][=C][Ring1][O][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][P] | Cc1cccn2c3c(c(=O)nc12)C(c1ccccc1)CC(=O)N3 |
47460 | Cc1cccc(C2CC(=O)Nc3c2c(=O)nc2sccn32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][=C][S][C][=C][N][Ring1][#Branch2][Ring1][Branch1][=C][Ring2][Ring1][Branch1] | Cc1cccc(C2CC(=O)Nc3c2c(=O)nc2sccn32)c1 |
47461 | CC1(C)OC(=O)N(CC(=O)Nc2ccccc2)C1(C)O | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][Branch1][C][C][O] | CC1(C)OC(=O)N5C1(C)O.c14ccccc1.C5C3=O.N34 |
47462 | CC1(C)OC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1(C)O | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][Ring2][Ring1][Ring1][Branch1][C][C][O] | CC1(C)OC(=O)N4C1(C)O.c15c[nH]c2ccc(Cl)cc12.C4C5 |
47463 | CN1C(=O)Cc2cc(S(=O)(=O)NC3CC3)ccc21 | [C][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][=N][Ring1][P] | CN1C(=O)Cc2cc(S4(=O)=O)ccc21.C15CC1.N45 |
47464 | CN1C(=O)Cc2cc(S(=O)(=O)NCc3ccco3)ccc21 | [C][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring2] | CN1C(=O)Cc2cc(S5(=O)=O)ccc21.c16ccco1.N45.C46 |
47465 | CCOC(=O)CNc1nc2ccccc2n2c(C)nnc12 | [C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=N][N][=C][Ring1][=C][Ring1][=Branch1] | c16nc2ccccc2n2c(C)nnc12.C3(=O)C5.CC4.O34.N56 |
47466 | COc1ccc(OC)c(Nc2nc3ccccc3n3nnnc23)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][=N][Ring1][Branch1][=C][Ring2][Ring1][=Branch1] | c16nc2ccccc2n2nnnc12.c14ccc5c7c1.CO4.O5C.N67 |
47467 | O=C(CCn1cnnn1)Nc1ccc(Cl)c(Cl)c1 | [O][=C][Branch1][#Branch2][C][C][N][C][=N][N][=N][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c13ccc(Cl)c(Cl)c1.O=C2CC4.n14cnnn1.N23 |
47468 | CCOc1ccccc1NC(=O)CCn1cnnn1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][=N][N][=N][Ring1][Branch1] | c14ccccc15.C2(=O)CC6.n16cnnn1.CC3.O34.N25 |
47469 | CN1C(=O)Cc2cc(S(=O)(=O)NCc3cccs3)ccc21 | [C][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring2] | CN1C(=O)Cc2cc(S5(=O)=O)ccc21.c16cccs1.N45.C46 |
47470 | CC(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)c1ccccc1 | [C][C][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccc2c(c1)CC(=O)N2C.c15ccccc1.CC35.N34 |
47472 | COc1ccc2[nH]cc(CCNC(=O)c3ccc4ccccc4n3)c2c1 | [C][O][C][=C][C][=C][NH1][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] | c16ccc2[nH]cc9c2c1.c18ccc2ccccc2n1.C9C7.C58=O.CO6.N57 |
47473 | O=C(CCn1cnnn1)Nc1ccc(Cl)cc1Cl | [O][=C][Branch1][#Branch2][C][C][N][C][=N][N][=N][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c13ccc(Cl)cc1Cl.O=C2CC4.n14cnnn1.N23 |
47474 | CC1(C)OC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1(C)O | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch1][Branch1][C][C][O] | CC1(C)OC(=O)N5C1(C)O.c14cccc6c1.C5C3=O.C6(F)(F)F.N34 |
47476 | COc1cccc(-c2noc(C(=O)NC3CCCCC3)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=N][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][=C][=C][Ring2][Ring1][Ring2] | c15cccc8c1.c18noc7n1.C16CCCCC1.C47=O.CO5.N46 |
47478 | O=C(COc1cccc(Cl)c1)Nc1cccc2nonc12 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1] | c16cccc2nonc12.c15cccc(Cl)c1.O=C3C4.O45.N36 |
47479 | COc1ccc(C(=O)Nc2cccc3nonc23)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][C][=C][Ring2][Ring1][C][O][C] | c17cccc2nonc12.c15ccc8cc16.C48=O.CO5.N47.O6C |
47480 | O=C(Nc1cccc2nonc12)c1ccc(F)cc1 | [O][=C][Branch1][#C][N][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14cccc2nonc12.c15ccc(F)cc1.O=C35.N34 |
47481 | COc1cc(OC)cc(C(=O)Nc2cccc3nonc23)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][=C][Ring2][Ring1][Ring2] | c17cccc2nonc12.c15cc6cc8c1.C48=O.CO5.O6C.N47 |
47482 | O=C(NCc1ccco1)c1nc(-c2ccc3c(c2)OCO3)no1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][O][Ring1][=C] | c18ccc2c(c1)OCO2.c16nc8no1.c17ccco1.O=C46.N45.C57 |
47483 | O=C(NCC1CCCO1)c1nc(-c2ccc3c(c2)OCO3)no1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][O][Ring1][=C] | c18ccc2c(c1)OCO2.c16nc8no1.C17CCCO1.O=C46.N45.C57 |
47484 | CCNC(=O)N1C(CC(=O)OCC)C(=O)NC2CCCCC21 | [C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][Ring1][P] | N15C8C(=O)NC2CCCCC21.C8C3=O.C45=O.CC7.N47.O36.C6C |
47485 | COc1ccc(C(=O)Nc2nc(C)c3cc4c(cc3n2)OCO4)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][C][=C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][=N][Ring1][O][O][C][O][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch1] | c17nc(C)c2cc3c(cc2n1)OCO3.c16ccc8cc1.C58=O.CO6.N57 |
47486 | CCn1cc(S(=O)(=O)Nc2ccc(-c3ccno3)cc2)cn1 | [C][C][N][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring1][O][C][=N][Ring2][Ring1][Ring2] | n16cc(S4(=O)=O)cn1.c15ccc7cc1.c17ccno1.CC6.N45 |
47487 | CCOc1ccccc1NC(=O)c1nn(CC)cc1Cl | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][N][Branch1][Ring1][C][C][C][=C][Ring1][#Branch1][Cl] | c14ccccc15.c16nn7cc1Cl.C26=O.CC3.O34.N25.C7C |
47489 | CCn1cc(Cl)c(C(=O)Nc2ccccc2C(F)(F)F)n1 | [C][C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Ring1] | n16cc(Cl)c5n1.c14ccccc17.C7(F)(F)F.C35=O.CC6.N34 |
47490 | CCn1cc(Cl)c(C(=O)Nc2ccc(OC)c(OC)c2)n1 | [C][C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring1] | c16ccc4c5c1.n18cc(Cl)c7n1.C37=O.CC8.N36.O4C.O5C |
47491 | CCn1cc(Cl)c(C(=O)Nc2ccc(F)cc2F)n1 | [C][C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring1][P] | c14ccc(F)cc1F.n16cc(Cl)c5n1.C35=O.CC6.N34 |
47492 | CCn1cc(Cl)c(C(=O)Nc2ccc(F)c(F)c2)n1 | [C][C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring1][P] | c14ccc(F)c(F)c1.n16cc(Cl)c5n1.C35=O.CC6.N34 |
47493 | CCn1cc(Cl)c(C(=O)NCCc2ccc(OC)c(OC)c2)n1 | [C][C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][Branch1] | c19ccc4c5c1.n18cc(Cl)c7n1.C37=O.C6C9.CC8.N36.O4C.O5C |
47495 | CCn1cc(Cl)c(C(=O)Nc2ccc(-c3ccno3)cc2)n1 | [C][C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring1][O][=N][Ring2][Ring1][Ring2] | n17cc(Cl)c6n1.c15ccc8cc1.c18ccno1.C46=O.CC7.N45 |
47496 | CCn1cc(Cl)c(C(=O)Nc2cccc(-c3ccno3)c2)n1 | [C][C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][=C][Ring1][O][=N][Ring2][Ring1][Ring2] | n17cc(Cl)c6n1.c15cccc8c1.c18ccno1.C46=O.CC7.N45 |
47497 | CCn1cc(Cl)c(C(=O)Nc2ccccc2C(N)=O)n1 | [C][C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][=N][Ring2][Ring1][C] | n17cc(Cl)c5n1.c14ccccc16.C35=O.C6(N)=O.CC7.N34 |
47499 | CCOc1ccc(NC(=O)CCn2cnnn2)cc1 | [C][C][O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][S] | c15ccc6cc1.C3(=O)CC7.n17cnnn1.CC4.O45.N36 |
47500 | COc1cc(SC)ccc1C(=O)N1CCn2c(C)ccc2C1C | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][C][Branch1][C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C] | N13CCn2c(C)ccc2C1C.c14cc6ccc15.C35=O.CO4.S6C |
47501 | CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)OC | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][O][C] | S7(=O)(=O)c1ccc2c(c1)CCCN24.N567.C34=O.CC5.C6C.O3C |
47502 | COC(=O)N1CCCc2cc(S(=O)(=O)N3CCOCC3)ccc21 | [C][O][C][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Ring1] | N15CCCc2cc(S6(=O)=O)ccc21.N16CCOCC1.C45=O.CO4 |
47503 | O=C1CC(c2cccc(Cl)c2)c2c(n3ccsc3nc2=O)N1 | [O][=C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Branch1][=N][N][C][=C][S][C][Ring1][Branch1][=N][C][Ring1][=Branch2][=O][N][Ring2][Ring1][Branch1] | O=C1CC(c2cccc(Cl)c2)c2c(n3ccsc3nc2=O)N1 |
47504 | O=c1[nH]c(=O)n(COCc2ccccc2)cc1N1CCCC1 | [O][=C][NH1][C][=Branch1][C][=O][N][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][N][C][C][C][C][Ring1][Branch1] | O=c1[nH]c(=O)n5cc14.c16ccccc1.N14CCCC1.C5O3.C36 |
47506 | CCC(O)c1cc2c(cc1NC(=O)c1ccccc1F)OCCO2 | [C][C][C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][C][C][O][Ring2][Ring1][C] | c16cc2c(cc14)OCCO2.c15ccccc1F.CCC6O.C35=O.N34 |
47507 | CCOC(=O)c1cnc2cc(F)c(F)cc2c1Nc1ccccc1O | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Ring1][Branch2][=C][Ring1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | c17cnc2cc(F)c(F)cc2c15.c16ccccc1O.C37=O.CC4.O34.N56 |
47508 | N#Cc1nc2cc(F)c(N3CCCCC3)cc2nc1N | [N][#C][C][=N][C][=C][C][Branch1][C][F][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N][N][=C][Ring1][P][N] | N#Cc1nc2cc(F)c4cc2nc1N.N14CCCCC1 |
47509 | N#Cc1nc2cc(F)c(N3CCOCC3)cc2nc1N | [N][#C][C][=N][C][=C][C][Branch1][C][F][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N][N][=C][Ring1][P][N] | N#Cc1nc2cc(F)c4cc2nc1N.N14CCOCC1 |
47510 | CCn1cc(Cl)c(C(=O)Nc2ccc(NC(C)=O)cc2)n1 | [C][C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring1] | n18cc(Cl)c7n1.c15ccc6cc1.C37=O.C4(C)=O.CC8.N35.N46 |
47511 | NC(=O)c1ccc(-n2nnnc2-n2ccnc2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][N][=N][N][=C][Ring1][Branch1][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][S] | c13ccc5cc1.n15nnnc14.n14ccnc1.NC3=O |
47512 | COC(=O)N1CCCc2cc(S(=O)(=O)NC(C)(C)C)ccc21 | [C][O][C][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=C][Ring2][Ring1][C] | N14CCCc2cc(S6(=O)=O)ccc21.C5(C)(C)C.C34=O.CO3.N56 |
47513 | CN1Cc2ccccc2N(Cc2ccccc2)C1=O | [C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] | CN1Cc2ccccc2N(C3)C1=O.c13ccccc1 |
47514 | COC(=O)c1ccn(Cc2c(Cl)cccc2Cl)n1 | [C][O][C][=Branch1][C][=O][C][C][=C][N][Branch1][=C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][N][=Ring1][=C] | c16c(Cl)cccc1Cl.c14ccn5n1.C34=O.CO3.C56 |
47515 | COC(=O)c1ccn(CC(=O)Nc2cccc(C(C)=O)c2)n1 | [C][O][C][=Branch1][C][=O][C][C][=C][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][N][=Ring2][Ring1][C] | c15cccc7c1.c16ccn8n1.C8C4=O.C36=O.C7(C)=O.CO3.N45 |
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