ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
11677 | CNC(=O)c1ccccc1Sc1ccccc1C(=O)NC | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C] | c14ccccc16.c17ccccc15.C24=O.C35=O.CN2.S67.N3C |
11678 | CNC(=O)c1ccccc1Sc1ccccc1CO | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O] | c13ccccc15.c16ccccc14.C23=O.CN2.S56.C4O |
11679 | CNC(=O)c1ccccc1[S+]([O-])c1ccccc1CO | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O] | c13ccccc1[S+]([O-])c1ccccc14.C23=O.CN2.C4O |
11680 | CNC(=O)c1ccccc1[S+]([O-])c1ccccc1COC(C)=O | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Branch1][C][C][=O] | c15ccccc1[S+]([O-])c1ccccc16.C35=O.C2(C)=O.CN3.C46.O24 |
11681 | O=C(Cc1cccc2ccccc12)N1CCOCC1 | [O][=C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c14cccc2ccccc12.N13CCOCC1.O=C3C4 |
11682 | CNC(=O)c1cccc2cccc(Br)c12 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][O][Ring1][#Branch1] | c14cccc2cccc(Br)c12.C34=O.CN3 |
11683 | NC(=O)c1cccc2cccc(Br)c12 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][O][Ring1][#Branch1] | c13cccc2cccc(Br)c12.NC3=O |
11684 | CC(=O)NC1C(Oc2ccc3ccccc3c2)OC(CO)C(O)C1O | [C][C][=Branch1][C][=O][N][C][C][Branch1][S][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring2][Ring1][Ring2][O] | C17C5OC8C(O)C1O.c16ccc2ccccc2c1.CC4=O.N47.O56.C8O |
11685 | CNC(=O)c1ccccc1Sc1ccccc1COC(C)=O | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Branch1][C][C][=O] | c15ccccc17.c18ccccc16.C35=O.C2(C)=O.CN3.S78.C46.O24 |
11686 | CN1C(=O)CC(c2ccccc2)Nc2ccccc21 | [C][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | CN1C(=O)CC3Nc2ccccc21.c13ccccc1 |
11687 | CC(C)CNS(=O)(=O)c1cccc2c(N)cccc12 | [C][C][Branch1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][O][Ring1][#Branch1] | S4(=O)(=O)c1cccc2c(N)cccc12.CC(C)C3.N34 |
11688 | CC(C)(C)NS(=O)(=O)c1cccc2c(N)cccc12 | [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][O][Ring1][#Branch1] | S4(=O)(=O)c1cccc2c(N)cccc12.CC3(C)C.N34 |
11689 | Nc1cccc2c(S(=O)(=O)NCc3ccccc3)cccc12 | [N][C][=C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][P] | Nc1cccc2c(S5(=O)=O)cccc12.c16ccccc1.N45.C46 |
11690 | CN(C)S(=O)(=O)c1cccc2c(N)cccc12 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][O][Ring1][#Branch1] | S3(=O)(=O)c1cccc2c(N)cccc12.CN3C |
11691 | Nc1cccc2c(S(=O)(=O)N3CCOCC3)cccc12 | [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][=C][Ring2][Ring1][Ring1][Ring1][#C] | Nc1cccc2c(S4(=O)=O)cccc12.N14CCOCC1 |
11692 | Nc1cccc2c(S(=O)(=O)N3CCCCC3)cccc12 | [N][C][=C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][#C] | Nc1cccc2c(S4(=O)=O)cccc12.N14CCCCC1 |
11693 | Nc1cccc2c(S(=O)(=O)N3CCCCCC3)cccc12 | [N][C][=C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][S] | Nc1cccc2c(S4(=O)=O)cccc12.N14CCCCCC1 |
11694 | CCN(C)S(=O)(=O)c1cccc2c(N)cccc12 | [C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][O][Ring1][#Branch1] | S4(=O)(=O)c1cccc2c(N)cccc12.N34C.CC3 |
11695 | CCCN(C)S(=O)(=O)c1cccc2c(N)cccc12 | [C][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][O][Ring1][#Branch1] | S4(=O)(=O)c1cccc2c(N)cccc12.CCC3.N34C |
11696 | O=c1c2ccc(Br)cc2nc2ccccn12 | [O][=C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=C][C][=C][C][=C][N][Ring1][#C][Ring1][=Branch1] | O=c1c2ccc(Br)cc2nc2ccccn12 |
11697 | COc1c(Br)cc(Br)c2c1OCCO2 | [C][O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][O][C][C][O][Ring1][=Branch1] | c13c(Br)cc(Br)c2c1OCCO2.CO3 |
11698 | CC(=O)Nc1ccc(C(C)C)cc1Br | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br] | c13ccc4cc1Br.CC2=O.C4(C)C.N23 |
11701 | COC(=O)c1c(NC(=O)c2cccs2)sc(C)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][S][C][Branch1][C][C][=C][Ring1][=C][C] | c17c5sc(C)c1C.c16cccs1.C37=O.C46=O.CO3.N45 |
11702 | CCOC(=O)c1cn(-c2ccc(Cl)cc2)nn1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring1][N] | c16ccc(Cl)cc1.c15cn6nn1.C35=O.CC4.O34 |
11703 | Nc1c(-c2ccccc2)nnn1-c1ccc(Br)cc1 | [N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][N][Ring1][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | Nc1c4nnn13.c13ccc(Br)cc1.c14ccccc1 |
11704 | O=S(=O)(c1ccccc1)C1CC1(Cl)Cl | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl] | O=S(=O)(c1ccccc1)C1CC1(Cl)Cl |
11706 | Cc1occc1C(=O)Nc1ccc(Br)cc1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c13ccc(Br)cc1.Cc1occc14.C24=O.N23 |
11707 | CC(O)C(NC(=O)c1ccccc1)c1ccccc1 | [C][C][Branch1][C][O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1.c15ccccc1.CC(O)C35.C24=O.N23 |
11708 | COc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccco1 | [C][O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c15cc6ccc17.c18cccs1.c19ccco1.C38=O.C49=O.CO5.N36.N47 |
11709 | Cc1nonc1C(=O)Nc1ccc2ccccc2c1 | [C][C][=N][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c14ccc2ccccc2c1.Cc1nonc15.C35=O.N34 |
11710 | Cc1nonc1NC(=O)Nc1ccc2ccccc2c1 | [C][C][=N][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c16ccc2ccccc2c1.Cc1nonc15.C34=O.N35.N46 |
11711 | Cn1cnnc1SCCC(=O)Nc1ccccc1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1cnnc15.c14ccccc1.C3CC2=O.S35.N24 |
11712 | COC(=O)c1cc(=O)n2c(n1)sc1cc(C)ccc12 | [C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][C][=Branch1][Ring2][=N][Ring1][#Branch1][S][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][Ring1][O] | c14cc(=O)n2c(n1)sc1cc(C)ccc12.C34=O.CO3 |
11713 | Cc1ccc2c(c1)C(=O)C(O)(c1ccccc1)C(=O)N2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S] | Cc1ccc2c(c1)C(=O)C3(O)C(=O)N2.c13ccccc1 |
11715 | COc1ccc(OCC(=O)NCc2ccco2)cc1 | [C][O][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][P] | c15ccc6cc1.c18ccco1.C4C3=O.CO5.O46.N37.C78 |
11716 | O=S(=O)(NC1CC2CCC1C2)c1ccc2c(c1)OCCO2 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | O=S3(=O)c1ccc2c(c1)OCCO2.C14CC2CCC1C2.N34 |
11719 | CCOc1cccc(C(=O)Nc2cccc(NC(=O)CC)c2)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][=C][Ring1][O][=C][Ring2][Ring1][Ring2] | c16cccc9c1.c17cccc8c1.C4(=O)CC.C39=O.CC5.O56.N37.N48 |
11720 | CCN1c2cc(NC(C)=O)ccc2C(C)CC1(C)C | [C][C][N][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][C][Branch1][C][C][C][C][Ring1][#C][Branch1][C][C][C] | N14c2cc5ccc2C(C)CC1(C)C.C3(C)=O.CC4.N35 |
11721 | c1ccc(C2OCC3(CO2)COC(c2ccccc2)OC3)cc1 | [C][=C][C][=C][Branch2][Ring1][N][C][O][C][C][Branch1][Branch1][C][O][Ring1][=Branch1][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | C14OCC2(CO1)COC5OC2.c1ccc4cc1.c15ccccc1 |
11722 | Nc1cc(-c2ccccc2)n2c(n1)nc1ccccc12 | [N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][Ring2][N][=Ring1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | Nc1cc3n2c(n1)nc1ccccc12.c13ccccc1 |
11723 | CN(C)c1cccc2c(S(=O)(=O)N3CCCC3)cccc12 | [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Ring2][Ring1][C][Ring1][=C] | c15cccc2c(S4(=O)=O)cccc12.N14CCCC1.CN5C |
11724 | c1ccc(C2Cn3nnnc3-c3ccccc3O2)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | C14Cn2nnnc2-c2ccccc2O1.c1ccc4cc1 |
11725 | CC(=O)N1CC2(C)CN(C(C)=O)CC(C)(C1)C2O | [C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Branch1][C][C][Branch1][Ring2][C][Ring1][=N][C][Ring1][N][O] | N13CC2(C)CN4CC(C)(C1)C2O.CC3=O.C4(C)=O |
11727 | CNC(=O)N1c2ccccc2C=Cc2ccccc21 | [C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] | N14c2ccccc2C=Cc2ccccc21.C34=O.CN3 |
11728 | COC(=O)c1ccc(Cc2ccc(C(=O)OC)o2)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][O][Ring1][=Branch2][O][Ring1][#C] | c15ccc7o1.c18ccc6o1.C35=O.C46=O.CO3.C78.O4C |
11729 | O=C(Cc1ccccc1)c1ccc2c(c1)OCCCO2 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2] | c13ccc2c(c1)OCCCO2.c14ccccc1.O=C3C4 |
11731 | CC1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC21C | [C][C][Branch1][C][O][C][C][C][C][C][C][C][=C][Branch1][#Branch2][C][C][C][=Branch1][C][=O][C][Ring1][#Branch1][C][Ring1][O][C][C][C][Ring1][#C][Ring2][Ring1][Ring1][C] | CC1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC21C |
11732 | CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][S] | S6(=O)(=O)c1ccc7cc1.c18ccccc1C.N456.C38=O.CC4.C5C.N37 |
11738 | Cc1nn2c(=O)c3c4c(sc3nc2[nH]c1=O)CCCC4 | [C][C][=N][N][C][=Branch1][C][=O][C][C][=C][Branch1][=C][S][C][=Ring1][Branch1][N][=C][Ring1][#Branch2][NH1][C][Ring1][=C][=O][C][C][C][C][Ring1][=N] | Cc1nn2c(=O)c3c4c(sc3nc2[nH]c1=O)CCCC4 |
11739 | CSc1nn2c(=O)c(Cc3ccccc3)nnc2s1 | [C][S][C][=N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=C][S][Ring1][P] | c16nn2c(=O)c4nnc2s1.c15ccccc1.CS6.C45 |
11740 | CCOC(=O)c1[nH]c(C)c(C(=O)OCC)c1CC | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=Ring1][O][C][C] | c16[nH]c(C)c7c18.C26=O.C37=O.CC4.O24.O35.C5C.C8C |
11743 | Cc1ncc(-c2nnnn2-c2ccccc2)c(-c2cccc(F)c2)n1 | [C][C][=N][C][=C][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring2][Ring1][Branch2] | Cc1ncc4c5n1.c15cccc(F)c1.c14nnnn13.c13ccccc1 |
11744 | Cc1sc2ncn(Cc3cccc(F)c3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][#C][C][=Ring2][Ring1][C][C] | Cc1sc2ncn4c(=O)c2c1C.c15cccc(F)c1.C45 |
11745 | Nc1nc(-c2ccccc2)cn1Nc1ccccc1 | [N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1nc3cn1Nc1ccccc1.c13ccccc1 |
11748 | Nc1ncc(-c2nnnn2-c2ccccc2)c(C(F)(F)F)n1 | [N][C][=N][C][=C][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Branch1] | Nc1ncc5c3n1.c15nnnn14.c14ccccc1.C3(F)(F)F |
11749 | Cc1ccc(-c2nc3ccccc3n3nnnc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][=N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | c14nc2ccccc2n2nnnc12.Cc1ccc4cc1 |
11751 | Cc1c(Cl)cccc1NC(=O)C1CCC(=O)N1 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1] | Cc1c3cccc1Cl.C14CCC(=O)N1.C24=O.N23 |
11753 | CC(C)=C(NC(=O)c1ccccc1)C(=O)NCc1ccccc1 | [C][C][Branch1][C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C=6(N2)C3=O.c15ccccc1.c17ccccc1.CC=6C.C25=O.N34.C47 |
11754 | COC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1 | [C][O][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][C][C][C][C][Ring1][=Branch1] | C2(=O)C=5N3.c14ccccc1.C1=5CCCCC1.C34=O.CO2 |
11755 | CCC1CC(C)(C(=O)Nc2ccc(S(N)(=O)=O)cc2)OC1=O | [C][C][C][C][C][Branch1][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][O][C][Ring2][Ring1][Ring1][=O] | c14ccc(S(N)(=O)=O)cc1.C16CC5(C)OC1=O.C35=O.CC6.N34 |
11756 | c1ccc(-c2csc3c4ncnc-4ncn23)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][=C][N][=C][N][=C][Ring1][Branch1][N][=C][N][Ring1][N][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c15csc2c3ncnc-3ncn12.c1ccc5cc1 |
11758 | O=C(NCC1(c2ccccc2)CCCC1)c1ccco1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][O][C][=C][C][=C][O][Ring1][Branch1] | C167CCCC1.c17ccccc1.c15ccco1.O=C35.N34.C46 |
11759 | CC(NC(=O)Cc1ccccc1)C1COc2ccccc2O1 | [C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c16ccccc1.C3(=O)C6.CC45.N34 |
11760 | O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C167CCOCC1.c15ccc(F)cc1.c17ccccc1.O=C35.N34.C46 |
11762 | COc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c16ccc2c(c1)OCCO2.c15cccc7c1.C47=O.CO5.N46 |
11763 | CCOc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c17ccc2c(c1)OCCO2.c16cccc8c1.C48=O.CC5.O56.N47 |
11764 | Cc1ccc(NC(=O)CC2CC(C)(C)OC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][C] | C15CC(C)(C)OC1=O.Cc1ccc4cc1.C3(=O)C5.N34 |
11766 | CCOC(=O)c1cccc(C(=O)Nc2ccc(OC)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring1][P] | c18cccc9n1.c17ccc6cc1.C38=O.C49=O.CC5.O35.N47.O6C |
11767 | COC(=O)c1ccc(Oc2nc(C)cc(N)n2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][O][C][=N][C][Branch1][C][C][=C][C][Branch1][C][N][=N][Ring1][Branch2][C][=C][Ring1][#C] | c14nc(C)cc(N)n1.c16ccc5cc1.C36=O.CO3.O45 |
11768 | Cc1nnc(SCc2cc(=O)oc3cc(O)ccc23)s1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch1][S][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][N][Ring1][#Branch1][S][Ring2][Ring1][Ring1] | c15cc(=O)oc2cc(O)ccc12.Cc1nnc6s1.S46.C45 |
11770 | Cn1cc(Br)cc(Br)c1=O | [C][N][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][Ring1][Branch2][=O] | Cn1cc(Br)cc(Br)c1=O |
11771 | Fc1cc(N2CCOCC2)nc(N2CCOCC2)n1 | [F][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | Fc1cc3nc4n1.N13CCOCC1.N14CCOCC1 |
11772 | CC1CCCC(C)N1C(=O)c1ccc(F)cc1F | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | CC1CCCC(C)N12.c13ccc(F)cc1F.C23=O |
11773 | Nc1ccc(Oc2cccc3cccnc23)c(Cl)c1 | [N][C][=C][C][=C][Branch1][S][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][C] | c15cccc2cccnc12.Nc1ccc4c(Cl)c1.O45 |
11775 | O=C(Cn1cncn1)c1ccc(Cl)cc1Cl | [O][=C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c12ccc(Cl)cc1Cl.n13cncn1.O=C2C3 |
11776 | Cc1nc(C)n(CC(=O)c2ccc(Cl)cc2Cl)n1 | [C][C][N][=C][Branch1][C][C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][=Ring1][P] | c13ccc(Cl)cc1Cl.Cc1nc(C)n4n1.C4C3=O |
11777 | CC(C(=O)c1ccc(Cl)cc1Cl)n1cncn1 | [C][C][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][=N][C][=N][Ring1][Branch1] | c12ccc(Cl)cc1Cl.CC3C2=O.n13cncn1 |
11778 | COc1ccc(Cl)cc1C(=O)Nc1cc(C)on1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c13ccc(Cl)cc15.c14cc(C)on1.C25=O.CO3.N24 |
11779 | Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)no1 | [C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][O][Ring1][S] | c15ccc(Cl)c(Cl)c1.Cc1cc4no1.C35=O.N34 |
11780 | Nc1ncn(C(=O)c2ccc(Cl)c(Cl)c2)n1 | [N][C][N][=C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][=Ring1][#C] | Nc1ncn(C3=O)n1.c13ccc(Cl)c(Cl)c1 |
11782 | COC(=O)c1cc2cc(Br)ccc2oc1=O | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c14cc2cc(Br)ccc2oc1=O.C34=O.CO3 |
11783 | COc1ccc2oc(=O)c(C(=O)NCc3ccccc3)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c15ccc2oc(=O)c7cc2c1.c18ccccc1.C47=O.CO5.N46.C68 |
11785 | COC(=O)n1c(=O)oc2cc(Br)ccc21 | [C][O][C][=Branch1][C][=O][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][O] | C3(=O)n1c(=O)oc2cc(Br)ccc21.CO3 |
11786 | CCOC(=O)n1c(=O)oc2cc(Br)ccc21 | [C][C][O][C][=Branch1][C][=O][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][O] | C3(=O)n1c(=O)oc2cc(Br)ccc21.CC4.O34 |
11788 | CC(=O)Nc1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][S][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c17ccc2nc6sc2c1.c18ccc(N)cc1.CC4=O.C58=O.N47.N56 |
11789 | CCOC(=O)c1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][S][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c18ccc2nc7sc2c1.c19ccc(N)cc1.C48=O.C59=O.CC6.O46.N57 |
11790 | CCOC(=O)c1ccc2nc(NC(C)=O)sc2c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][Ring1][=Branch2][=C][Ring1][=N] | c17ccc2nc6sc2c1.C37=O.C4(C)=O.CC5.O35.N46 |
11792 | O=C(Nc1nc2c(s1)CCCC2)c1ccccc1 | [O][=C][Branch1][P][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14nc2c(s1)CCCC2.c15ccccc1.O=C35.N34 |
11793 | CC(=O)Oc1ccc(C(=O)Nc2nc3ccc(N)cc3s2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c17nc2ccc(N)cc2s1.c16ccc8cc1.CC4=O.C58=O.O46.N57 |
11794 | CCc1nc(-c2ccc(Br)cc2)no1 | [C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][O][Ring1][N] | c14ccc(Br)cc1.c13nc4no1.CC3 |
11796 | COC(=O)c1cccc(C(=O)Oc2ccc(OC)cc2)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring1][P] | c17cccc8n1.c15ccc6cc1.C37=O.C48=O.CO3.O45.O6C |
11798 | COC(=O)c1cccc(C(=O)Oc2ccccc2NC(C)=O)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O][=N][Ring2][Ring1][Ring1] | c18cccc9n1.c16ccccc17.C38=O.C49=O.C5(C)=O.CO3.O46.N57 |
11799 | COC(=O)c1cccc(C(=O)Nc2cccc3ccccc23)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | c16cccc2ccccc12.c17cccc8n1.C47=O.C58=O.CO4.N56 |
11800 | COC(=O)c1cccc(C(=O)Nc2cccc(F)c2)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring1][S] | c16cccc7n1.c15cccc(F)c1.C36=O.C47=O.CO3.N45 |
11801 | COC(=O)c1cccc(C(=O)Nc2ccc(C)cc2)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring1][S] | c16cccc7n1.c15ccc(C)cc1.C36=O.C47=O.CO3.N45 |
11802 | CCOC(=O)c1cccc(C(=O)Nc2cccc(F)c2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring1][S] | c17cccc8n1.c16cccc(F)c1.C37=O.C48=O.CC5.O35.N46 |
11803 | CCOC(=O)c1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][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] | c19cccc%10n1.c17ccc8cc1.C39=O.C4%10=O.C5(C)=O.CC6.O36.N47.N58 |
11804 | CCSc1nnc(NC(=O)C2CCCCC2)s1 | [C][C][S][C][=N][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][=C] | c17nnc5s1.C16CCCCC1.C36=O.CC4.S47.N35 |
11806 | CCSc1nnc(NC(=O)c2ccncc2)s1 | [C][C][S][C][=N][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][=C] | c17nnc5s1.c16ccncc1.C36=O.CC4.S47.N35 |
11807 | CCn1c(C(=O)c2ccccc2)nc2ccccc21 | [C][C][N][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n15c3nc2ccccc21.c14ccccc1.C34=O.CC5 |
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