ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
2818 | O=C(Nc1ccc(F)cc1)C1(c2ccccc2)CCOCC1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N] | c14ccc(F)cc1.C156CCOCC1.c16ccccc1.O=C35.N34 |
2819 | CCc1c(-c2ccccc2)[nH]c2nc3c(c(=O)n(C)c(=O)n3C)n12 | [C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring2][Ring1][=Branch1][Ring1][=N] | c14c5[nH]c2nc3c(c(=O)n(C)c(=O)n3C)n12.c15ccccc1.CC4 |
2821 | Cc1cc(C)c(S(=O)(=O)NCCc2ccncc2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1cc(C)c(S4(=O)=O)c(C)c1.c15ccncc1.C3C5.N34 |
2823 | CCSc1nc2cc(C(=O)OC)ccc2c(=O)n1CC | [C][C][S][C][=N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring1][#C][C][C] | c17nc2cc5ccc2c(=O)n16.C35=O.CC4.S47.O3C.C6C |
2824 | O=S(=O)(NCCc1ccncc1)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][N][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S3(=O)c1ccccc1.c14ccncc1.C2C4.N23 |
2825 | O=S(=O)(NCCc1ccncc1)c1ccc(F)cc1 | [O][=S][=Branch1][C][=O][Branch1][N][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=S3(=O)c1ccc(F)cc1.c14ccncc1.C2C4.N23 |
2826 | COc1ccc(S(=O)(=O)NCCc2ccncc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c13ccc(S5(=O)=O)cc1.c16ccncc1.C4C6.CO3.N45 |
2827 | CC(C)(C)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c15ccc(S4(=O)=O)cc1.c16ccncc1.CC5(C)C.C3C6.N34 |
2828 | O=C1CC(c2ccc(S(=O)(=O)NCc3ccncc3)cc2)CN1 | [O][=C][C][C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P][C][N][Ring2][Ring1][=Branch1] | c17ccc(S5(=O)=O)cc1.O=C1CC7CN1.c16ccncc1.N45.C46 |
2829 | COC(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=C] | c15cc6cc7c1.C25=O.C36=O.C47=O.CO2.O3C.O4C |
2830 | Cc1ccc(S(=O)(=O)N(CCO)CCO)cc1 | [C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][O][C][=C][Ring1][S] | Cc1ccc(S4(=O)=O)cc1.N234.C2CO.C3CO |
2831 | CC(=O)Oc1ccc(OC(C)=O)c(OC(C)=O)c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][=C] | c15ccc6c7c1.CC2=O.C3(C)=O.C4(C)=O.O25.O36.O47 |
2832 | CC(=O)Oc1cn(C(C)=O)c2ccc(Br)cc12 | [C][C][=Branch1][C][=O][O][C][=C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][=N][Ring1][#Branch1] | c14cn(C(C)=O)c2ccc(Br)cc12.CC3=O.O34 |
2833 | CCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC)C1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Ring1][=N][C] | C2(=O)C1=C(C)N=C(C)C6C1C.C36=O.CC4.O24.O35.C5C |
2834 | CC(=O)Oc1cn(C(C)=O)c2ccc(Br)c(Cl)c12 | [C][C][=Branch1][C][=O][O][C][=C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][Cl][=C][Ring1][=C][Ring1][Branch2] | c14cn(C(C)=O)c2ccc(Br)c(Cl)c12.CC3=O.O34 |
2837 | CN(C)c1cccc2c(S(N)(=O)=O)cccc12 | [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][C][=C][Ring1][=C][Ring1][#Branch2] | c13cccc2c(S(N)(=O)=O)cccc12.CN3C |
2838 | CC(C)C(=O)Nc1nc2c(ncn2C2CC(O)C(CO)O2)c(=O)[nH]1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch2][Ring1][Ring2][N][=C][N][Ring1][Branch1][C][C][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=Branch1][C][=O][NH1][Ring2][Ring1][C] | c14nc2c(ncn26)c(=O)[nH]1.C16CC(O)C5O1.CC(C)C3=O.N34.C5O |
2839 | Cc1cc(NC(=O)c2ccccc2)c(Cl)cc1N | [C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][Cl][C][=C][Ring1][S][N] | Cc1cc4c(Cl)cc1N.c15ccccc1.C35=O.N34 |
2840 | CC(NS(=O)(=O)NC(C)c1ccccc1)c1ccccc1 | [C][C][Branch2][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | N2S(=O)(=O)N3.c15ccccc1.c14ccccc1.CC24.C35C |
2841 | COc1c2occc2c(OC)c2c(=O)cc(C)oc12 | [C][O][C][=C][O][C][=C][C][Ring1][Branch1][=C][Branch1][Ring1][O][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][Ring1][P][=Ring1][Branch2] | c13c2occc2c4c2c(=O)cc(C)oc12.CO3.O4C |
2842 | CCOc1cc2c(cc1OC)C(=O)CC(C)(C)O2 | [C][C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=N] | c14cc2c(cc15)C(=O)CC(C)(C)O2.CC3.O34.O5C |
2843 | CCOc1ccc2nc(S(N)(=O)=O)sc2c1 | [C][C][O][C][=C][C][=C][N][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][S][C][Ring1][=Branch2][=C][Ring1][=N] | c14ccc2nc(S(N)(=O)=O)sc2c1.CC3.O34 |
2844 | CN1C(=O)CN(C(=O)c2ccccc2)C1C(C)(C)C | [C][N][C][=Branch1][C][=O][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][C][Branch1][C][C][Branch1][C][C][C] | CN1C(=O)CN3C15.c14ccccc1.C5(C)(C)C.C34=O |
2845 | CNC(=O)Oc1cc(C)c(Br)c(C)c1 | [C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][=Branch2] | c14cc(C)c(Br)c(C)c1.C23=O.CN3.O24 |
2848 | Cc1ccc(S(=O)(=O)NC(=O)OC(C)(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][P] | Cc1ccc(S5(=O)=O)cc1.C4(C)(C)C.C23=O.N35.O24 |
2850 | CC(C)(C)C1COC(CC2=NC(C(C)(C)C)CO2)=N1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][O][C][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][O][Ring1][=Branch2][=N][Ring1][#C] | C13COC(CC2=NC4CO2)=N1.CC3(C)C.C4(C)(C)C |
2852 | COC(=O)C1COC(C)(C)N1C(=O)OC(C)(C)C | [C][O][C][=Branch1][C][=O][C][C][O][C][Branch1][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] | C16COC(C)(C)N14.C5(C)(C)C.C26=O.C34=O.CO2.O35 |
2853 | CC(=O)c1cc(Br)cc(Br)c1O | [C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][O] | c12cc(Br)cc(Br)c1O.CC2=O |
2854 | O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1 |
2856 | O=C(NC(c1ccccc1)n1nnc2ccccc21)c1cccnc1 | [O][=C][Branch2][Ring1][#Branch2][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1] | n16nnc2ccccc21.c17ccccc1.c15cccnc1.O=C35.C467.N34 |
2857 | Nc1ccc(OC(F)(F)F)cc1Br | [N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][Br] | Nc1ccc2cc1Br.O2C(F)(F)F |
2858 | CC(=O)OCC1OC=CC(OC(C)=O)C1OC(C)=O | [C][C][=Branch1][C][=O][O][C][C][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring1][#Branch2][O][C][Branch1][C][C][=O] | C18OC=CC6C17.CC2=O.C3(C)=O.C4(C)=O.O25.C58.O36.O47 |
2859 | Cc1ccc(S(=O)(=O)NC(CO)Cc2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S4(=O)=O)cc1.c15ccccc1.C3(C5)CO.N34 |
2860 | CC(C)=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O | [C][C][Branch1][C][C][=C][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O] | c14ncnc2c1ncn27.C17OC6C(O)C1O.CC=5C.C=5C3.N34.C6O |
2862 | Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch1][=N][N][=C][N][Ring1][Branch1][C][C][Branch1][C][O][C][O][N][Branch1][C][C][C][Ring1][S][=O] | Cn1c(=O)c2c(ncn23)n(C)c1=O.C3C(O)CO |
2864 | CC1(C)OC2C(CO)OC(n3cnc4c(N)ncnc43)C2O1 | [C][C][Branch1][C][C][O][C][C][Branch1][Ring1][C][O][O][C][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Ring1][P][O][Ring2][Ring1][Branch1] | CC1(C)OC2C5OC6C2O1.n16cnc2c(N)ncnc21.C5O |
2866 | CC(=O)OC1CC(n2cnc3c(N)ncnc32)OC1CO | [C][C][=Branch1][C][=O][O][C][C][C][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][O][C][Ring1][#C][C][O] | n17cnc2c(N)ncnc21.C15CC7OC16.CC4=O.O45.C6O |
2867 | COc1ccc(C(O)(c2cncnc2)C2CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][O][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][P] | c13ccc5cc1.c16cncnc1.C456O.C14CC1.CO3 |
2868 | CC(=O)Oc1c[nH]c2ccc(Br)c(Cl)c12 | [C][C][=Branch1][C][=O][O][C][=C][NH1][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][Cl][=C][Ring1][O][Ring1][Branch2] | c14c[nH]c2ccc(Br)c(Cl)c12.CC3=O.O34 |
2869 | CC(=O)Oc1c[nH]c2cc(Cl)c(Br)cc12 | [C][C][=Branch1][C][=O][O][C][=C][NH1][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Br][C][=C][Ring1][O][Ring1][Branch2] | c14c[nH]c2cc(Cl)c(Br)cc12.CC3=O.O34 |
2870 | COC(=O)C1CC(O)CN1C(=O)OCc1ccccc1 | [C][O][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C16CC(O)CN14.c17ccccc1.C26=O.C34=O.CO2.O35.C57 |
2871 | Nc1ncnc2c1ncn2C1OC(CO)CC1O | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch1][Ring1][C][O][C][C][Ring1][#Branch1][O] | Nc1ncnc2c1ncn24.C14OC3CC1O.C3O |
2873 | OCC1OC(n2cnc3cc(Cl)c(Cl)cc32)C(O)C1O | [O][C][C][O][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][O][C][Branch1][C][O][C][Ring1][P][O] | n15cnc2cc(Cl)c(Cl)cc21.C14OC5C(O)C1O.OC4 |
2875 | CC(=O)Nc1ccn(C2CC(OC(C)=O)C(CO)O2)c(=O)n1 | [C][C][=Branch1][C][=O][N][C][C][=C][N][Branch2][Ring1][Ring2][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][Ring1][C][O][O][Ring1][O][C][=Branch1][C][=O][N][=Ring2][Ring1][C] | c16ccn8c(=O)n1.C18CC5C7O1.CC4=O.C3(C)=O.N46.O35.C7O |
2876 | Nc1nc2c(ncn2C2OC(CO)CC2O)c(=O)[nH]1 | [N][C][=N][C][=C][Branch2][Ring1][C][N][=C][N][Ring1][Branch1][C][O][C][Branch1][Ring1][C][O][C][C][Ring1][#Branch1][O][C][=Branch1][C][=O][NH1][Ring2][Ring1][C] | Nc1nc2c(ncn24)c(=O)[nH]1.C14OC3CC1O.C3O |
2877 | Nc1nccc2c1ncn2C1OC(CO)C(O)C1O | [N][C][=N][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O] | Nc1nccc2c1ncn24.C14OC3C(O)C1O.C3O |
2878 | CC(C)C(=O)Nc1ccn(C2CC(O)C(CO)O2)c(=O)n1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][#C][C][C][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=Branch1][C][=O][N][=Ring1][#C] | c14ccn6c(=O)n1.C16CC(O)C5O1.CC(C)C3=O.N34.C5O |
2879 | OCC1OC(n2cnc3c(NCc4ccco4)ncnc32)C(O)C1O | [O][C][C][O][C][Branch2][Ring1][=Branch2][N][C][=N][C][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][N][=C][N][=C][Ring1][=N][Ring1][S][C][Branch1][C][O][C][Ring2][Ring1][=Branch1][O] | n19cnc2c6ncnc21.C17OC9C(O)C1O.c18ccco1.OC7.N56.C58 |
2880 | Cc1ncnc2c1ncn2C1OC(CO)C(O)C1O | [C][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O] | Cc1ncnc2c1ncn24.C14OC3C(O)C1O.C3O |
2881 | COc1nc(=O)c(C)cn1C1CC(O)C(CO)O1 | [C][O][C][=N][C][=Branch1][C][=O][C][Branch1][C][C][=C][N][Ring1][Branch2][C][C][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][Ring1][Branch2] | c12nc(=O)c(C)cn14.C14CC(O)C3O1.CO2.C3O |
2882 | COc1nc(N)nc2c1ncn2C1CC(O)C(CO)O1 | [C][O][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C][C][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][Ring1][Branch2] | c13nc(N)nc2c1ncn25.C15CC(O)C4O1.CO3.C4O |
2884 | CNC(=O)OCc1cccc(COC(=O)NC)n1 | [C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][Branch1][=Branch2][C][O][C][=Branch1][C][=O][N][C][=N][Ring1][N] | c18cccc9n1.C24=O.C35=O.CN4.O26.C68.C79.O37.N5C |
2885 | CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1 | [C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccncc1.C2(=O)C6CO.c16ccccc1.N234.CC3.C45 |
2886 | CCOC(=O)c1cc2ccc(OC(C)=O)cc2oc1=O | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][O][C][Ring1][=C][=O] | c17cc2ccc6cc2oc1=O.C37=O.C4(C)=O.CC5.O35.O46 |
2887 | CCOc1cc2oc(=O)cc(C(F)(F)F)c2cc1OCC | [C][C][O][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=Ring1][O][C][=C][Ring1][#C][O][C][C] | c15cc2oc(=O)cc7c2cc16.C7(F)(F)F.CC3.O35.O46.C4C |
2891 | O=C(OCC1c2ccccc2-c2ccccc21)N1CCCC1CO | [O][=C][Branch2][Ring1][=Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][N][C][C][C][C][Ring1][Branch1][C][O] | C5C1c2ccccc2-c2ccccc21.N14CCCC16.O=C34.O35.C6O |
2893 | Cc1cc(C)c(S(=O)(=O)n2cncn2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=N][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][S] | Cc1cc(C)c(S(=O)(=O)n2cncn2)c(C)c1 |
2894 | Cc1ccc(NCC(O)C(O)C(O)CO)cc1C | [C][C][=C][C][=C][Branch1][P][N][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][O][C][=C][Ring1][S][C] | C2C(O)C(O)C(O)CO.Cc1ccc3cc1C.N23 |
2896 | O=c1c(O)c(-c2ccccc2)oc2cccc(O)c12 | [O][=C][C][Branch1][C][O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring2][Ring1][C][Ring1][#Branch1] | O=c1c(O)c3oc2cccc(O)c12.c13ccccc1 |
2899 | O=c1cc(-c2ccccc2O)oc2ccc(O)cc12 | [O][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring2][Ring1][C][Ring1][#Branch1] | O=c1cc3oc2ccc(O)cc12.c13ccccc1O |
2900 | O=c1cc(-c2cccc(O)c2)oc2ccc(O)cc12 | [O][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring2][Ring1][C][Ring1][#Branch1] | O=c1cc3oc2ccc(O)cc12.c13cccc(O)c1 |
2910 | COc1cccc(-c2cc(=O)c3ccc(O)cc3o2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][Ring1][N][=C][Ring2][Ring1][C] | c15cc(=O)c2ccc(O)cc2o1.c14cccc5c1.CO4 |
2911 | O=C(c1cnn(-c2ccccc2)c1)c1ccccc1O | [O][=C][Branch2][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | c14ccccc1O.c13cnn5c1.c15ccccc1.O=C34 |
2912 | Cc1ccc(O)c(C(=O)c2cnn(-c3ccccc3)c2)c1 | [C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][=C][Ring2][Ring1][Ring2] | Cc1ccc(O)c4c1.c15cnn6c1.c16ccccc1.C45=O |
2913 | O=c1c(Br)coc2ccc(Br)cc12 | [O][=C][C][Branch1][C][Br][=C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][N][Ring1][#Branch1] | O=c1c(Br)coc2ccc(Br)cc12 |
2915 | O=c1c(O)c(-c2ccc(O)cc2)oc2cccc(O)c12 | [O][=C][C][Branch1][C][O][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring2][Ring1][Ring1][Ring1][#Branch1] | O=c1c(O)c3oc2cccc(O)c12.c13ccc(O)cc1 |
2916 | O=c1c(O)c(-c2ccc(O)cc2O)oc2ccc(O)cc12 | [O][=C][C][Branch1][C][O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1] | O=c1c(O)c3oc2ccc(O)cc12.c13ccc(O)cc1O |
2917 | COc1ccc2c(c1)OC(c1cccc(OC)c1OC)CC2=O | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][#C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][C][Ring1][P][=O] | c13ccc2c(c1)OC6CC2=O.c16cccc4c15.CO3.O4C.O5C |
2919 | COc1ccc2c(c1)C(=O)CC(c1cccc(OC)c1OC)O2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][#C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][O][Ring2][Ring1][C] | c13ccc2c(c1)C(=O)CC6O2.c16cccc4c15.CO3.O4C.O5C |
2923 | Cc1c(C#N)c(=O)oc2c(Br)cc(Cl)cc12 | [C][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Cl][C][=C][Ring1][#C][Ring1][Branch2] | Cc1c(C#N)c(=O)oc2c(Br)cc(Cl)cc12 |
2924 | Cc1c(C#N)c(=O)oc2c(Cl)cc(Br)cc12 | [C][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Br][C][=C][Ring1][#C][Ring1][Branch2] | Cc1c(C#N)c(=O)oc2c(Cl)cc(Br)cc12 |
2925 | CCN(CC)c1ccc2cc(C(C)=O)c(=O)oc2c1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=C][Ring1][=C] | c15ccc2cc6c(=O)oc2c1.N345.C6(C)=O.CC3.C4C |
2926 | CCOc1cc(=O)oc2ccc(Br)cc12 | [C][C][O][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][N][Ring1][#Branch1] | c14cc(=O)oc2ccc(Br)cc12.CC3.O34 |
2929 | COC1C(=O)c2ccccc2OC1c1ccc(O)cc1 | [C][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | C13C(=O)c2ccccc2OC14.c14ccc(O)cc1.CO3 |
2930 | COc1ccc(C2CC(=O)c3cc(OC)ccc3O2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][Ring1][=N][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | C17CC(=O)c2cc5ccc2O1.c14ccc7c6c1.CO4.O5C.O6C |
2931 | COc1ccc2oc(-c3ccc(OC)c(OC)c3)c(OC)c(=O)c2c1 | [C][O][C][=C][C][=C][O][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c14ccc2oc8c7c(=O)c2c1.c18ccc5c6c1.CO4.O5C.O6C.O7C |
2932 | COc1ccc2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)oc2c1 | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][O][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c14ccc2c(=O)cc8oc2c1.c18cc5c6c7c1.CO4.O5C.O6C.O7C |
2933 | O=C1CC(c2ccccc2O)Oc2ccc(O)cc21 | [O][=C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring2][Ring1][C] | O=C1CC3Oc2ccc(O)cc21.c13ccccc1O |
2935 | COc1ccc(C2CC(=O)c3cc(Cl)ccc3O2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][O][C] | C16CC(=O)c2cc(Cl)ccc2O1.c14ccc6cc15.CO4.O5C |
2938 | COc1ccc2c(c1)OC(c1ccccc1)CC2=O | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=O] | c13ccc2c(c1)OC4CC2=O.c14ccccc1.CO3 |
2940 | O=c1ccoc2c(Br)cc(Cl)cc12 | [O][=C][C][=C][O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Cl][C][=C][Ring1][N][Ring1][Branch2] | O=c1ccoc2c(Br)cc(Cl)cc12 |
2941 | COc1cccc2c1C(=O)CC(c1ccccc1)O2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N] | c13cccc2c1C(=O)CC4O2.c14ccccc1.CO3 |
2943 | Cc1c(C#N)c(=O)oc2ccc(Br)cc12 | [C][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][=C][Ring1][#Branch1] | Cc1c(C#N)c(=O)oc2ccc(Br)cc12 |
2944 | Cc1c(C#N)c(=O)oc2c(Cl)cc(Cl)cc12 | [C][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][#C][Ring1][Branch2] | Cc1c(C#N)c(=O)oc2c(Cl)cc(Cl)cc12 |
2954 | O=C(c1ccccc1)n1c(=O)sc2ccccc21 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | O=C3n1c(=O)sc2ccccc21.c13ccccc1 |
2955 | O=c1ccc(-c2ccc(Br)cc2)n[nH]1 | [O][=C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][NH1][Ring1][=N] | O=c1ccc3n[nH]1.c13ccc(Br)cc1 |
2956 | O=C(Cc1ccccc1Cl)c1ccc(O)cc1O | [O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] | c12ccc(O)cc1O.c13ccccc1Cl.O=C2C3 |
2957 | O=C(Cc1ccc(Cl)cc1)c1ccc(O)cc1O | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] | c12ccc(O)cc1O.c13ccc(Cl)cc1.O=C2C3 |
2958 | O=C(c1ccc2[nH]c(=O)oc2c1)c1ccc2[nH]c(=O)oc2c1 | [O][=C][Branch1][P][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c13ccc2[nH]c(=O)oc2c1.c14ccc2[nH]c(=O)oc2c1.O=C34 |
2959 | COC(=O)C1NS(=O)(=O)c2ccccc2C1=O | [C][O][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O] | C14NS(=O)(=O)c2ccccc2C1=O.C34=O.CO3 |
2960 | COC(=O)C1C(=O)c2ccccc2S(=O)(=O)N1C | [C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][=N][C] | C14C(=O)c2ccccc2S(=O)(=O)N1C.C34=O.CO3 |
2961 | COc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring1][P] | c15n[nH]c(=O)c2ccccc12.c14ccc5cc1.CO4 |
2962 | COCc1cc(C)nc(SCC(=O)Nc2ccccc2)c1C#N | [C][O][C][C][=C][C][Branch1][C][C][=N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][#N] | c17cc(C)nc8c1C#N.c16ccccc1.C5C3=O.CO4.C47.S58.N36 |
2963 | O=C(NCC1CCCO1)c1ccc(F)c2ccccc12 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15ccc(F)c2ccccc12.C16CCCO1.O=C35.N34.C46 |
2965 | N#Cc1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12 | [N][#C][C][C][=N][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring2][Ring1][Ring1][Ring1][S] | N#Cc1cnn2c4cc5nc12.c15ccccc1.C4(F)(F)F |
2967 | CSc1nc(N)nc(SCc2ccc(F)cc2)c1C#N | [C][S][C][=N][C][Branch1][C][N][=N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][S][C][#N] | c15nc(N)nc6c1C#N.c14ccc(F)cc1.CS5.S36.C34 |
2969 | Cc1cc(C)n(C(=O)CSc2nc3ccccc3o2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n(C(=O)C4)n1.c15nc2ccccc2o1.S45 |
2972 | COCc1cc(C)nc2sc3c(=O)oc(C)nc3c12 | [C][O][C][C][=C][C][Branch1][C][C][=N][C][S][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=N][C][=Ring1][Branch2][C][Ring1][S][=Ring1][O] | c15cc(C)nc2sc3c(=O)oc(C)nc3c12.CO4.C45 |
2973 | Cn1c(CC(=O)Nc2ccccc2)cc2ccccc21 | [C][N][C][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | Cn1c5cc2ccccc21.c14ccccc1.C5C3=O.N34 |
2974 | COc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring1][S][O][C] | c14ccc7cc15.c16ccc(Cl)cn1.C37=O.CO4.N36.O5C |
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