ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
25789 | Cc1nccn1CC(=O)c1cc(Cl)ccc1Cl | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | c12cc(Cl)ccc1Cl.Cc1nccn13.C3C2=O |
25790 | Cc1cccc(NCCn2cnc3ccccc3c2=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][Ring2] | n16cnc2ccccc2c1=O.Cc1cccc5c1.C4C6.N45 |
25792 | CC(C)(C)c1nnc(SCC(=O)c2ccncc2)o1 | [C][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][#C] | c15nnc6o1.c14ccncc1.CC5(C)C.C3C4=O.S36 |
25794 | COc1ccc(Cc2nnc(SCC(=O)c3ccccc3)o2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | c14ccc8cc1.c17nnc9o1.c16ccccc1.C5C6=O.CO4.C78.S59 |
25795 | CCOC(=O)CSc1nc2[nH]c(=O)n(C)c(=O)c2n1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][NH1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2][N][Ring1][N][C] | c16nc2[nH]c(=O)n(C)c(=O)c2n1C.C3(=O)C5.CC4.O34.S56 |
25796 | CC(=O)Oc1cc(C)c2c(=O)c(Oc3ccccc3)coc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][O][C][Ring1][=C][=C][Ring2][Ring1][Ring1] | c15cc(C)c2c(=O)c6coc2c1.c17ccccc1.CC4=O.O45.O67 |
25797 | Cc1cc(C)n2nc(CCc3nc4nc(C)cc(C)n4n3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch2][Ring1][=Branch1][C][C][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O][N][=C][Ring2][Ring1][C][N][=Ring2][Ring1][#Branch1] | Cc1cc(C)n2nc5nc2n1.c16nc2nc(C)cc(C)n2n1.C5C6 |
25800 | COC(=O)c1nnn(-c2ccc(Cl)cc2Cl)c1N | [C][O][C][=Branch1][C][=O][C][N][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=N][N] | c15ccc(Cl)cc1Cl.c14nnn5c1N.C34=O.CO3 |
25801 | Cc1ccccc1NC(=O)c1nc2ccccc2nc1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C] | c15nc2ccccc2nc1C.Cc1ccccc14.C35=O.N34 |
25803 | Cc1ccc(-n2c(=O)c3[nH]c4ccccc4sc=3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][#Branch2][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | n15c(=O)c2[nH]c3ccccc3sc=2c1=O.Cc1ccc5cc1 |
25804 | Nc1nc(-c2cc(-c3ccco3)nc(N)n2)cc(-c2ccco2)n1 | [N][C][=N][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Branch1][C][N][=N][Ring1][N][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][Ring2][Ring1][#Branch1] | Nc1nc4cc6n1.c14cc5nc(N)n1.c15ccco1.c16ccco1 |
25806 | Cc1ccccc1-c1c(N)nc(N)nc1C(=O)Nc1nccs1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][N][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | c15c4nc(N)nc1N.Cc1ccccc15.c13nccs1.C24=O.N23 |
25809 | N#CC(c1ccccc1)c1nc2ccccc2[nH]c1=O | [N][#C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O] | c13nc2ccccc2[nH]c1=O.c14ccccc1.N#CC34 |
25810 | COC(=O)c1nnn(-c2ccc(Cl)cc2C)c1N | [C][O][C][=Branch1][C][=O][C][N][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][=Ring1][=N][N] | c15ccc(Cl)cc1C.c14nnn5c1N.C34=O.CO3 |
25811 | COC(=O)c1nnn(-c2cccc(Cl)c2)c1N | [C][O][C][=Branch1][C][=O][C][N][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][N][N] | c14nnn5c1N.c15cccc(Cl)c1.C34=O.CO3 |
25812 | Nc1nnc(COc2ccc(Cl)cc2Cl)o1 | [N][C][=N][N][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring1][#C] | c14ccc(Cl)cc1Cl.Nc1nnc5o1.C35.O34 |
25813 | CC1=C(C(=O)N(C)C)CC(C(=O)N(C)C)=C(C)N1 | [C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][P] | CC1=C(C2=O)CC(C3=O)=C(C)N1.N2(C)C.N3(C)C |
25814 | COC(=O)CCC(=O)Nc1c(C(C)C)cccc1C(C)C | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][=Branch2][C][Branch1][C][C][C] | c14c5cccc16.C2(=O)CCC3=O.C5(C)C.C6(C)C.CO2.N34 |
25815 | CCNC(=O)COc1ccc(Br)cc1Br | [C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Br] | c14ccc(Br)cc1Br.C2(=O)C3.CC5.N25.O34 |
25819 | CCC(CO)NC(=O)Nc1ccc(Cl)c(Cl)c1 | [C][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.CCC4CO.C23=O.N24.N35 |
25820 | O=C(NCc1ccccn1)Nc1ccc(Cl)c(Cl)c1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.c16ccccn1.O=C23.N24.C46.N35 |
25821 | CC(Oc1ccccc1)C(=O)Nc1ccc(O)cc1 | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c15ccc(O)cc1.c14ccccc1.CC3C2=O.O34.N25 |
25823 | CC(Oc1ccccc1)C(=O)Nc1ccccc1O | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | c15ccccc1O.c14ccccc1.CC3C2=O.O34.N25 |
25824 | CC(Oc1ccccc1)C(=O)NCc1ccccn1 | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14ccccc1.c16ccccn1.CC3C2=O.O34.N25.C56 |
25825 | O=C(Nc1ccccc1)NC(CO)c1ccccc1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.c16ccccc1.C46CO.O=C23.N25.N34 |
25826 | COc1ccc2[nH]cc(CCNC(=O)Cc3c[nH]c4ccccc34)c2c1 | [C][O][C][=C][C][=C][NH1][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] | c16ccc2[nH]cc8c2c1.c19c[nH]c2ccccc12.C5(=O)C9.C8C7.CO6.N57 |
25827 | COC(=O)C1=C(C)NC(=O)NC1c1cccc(O)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(=O)NC13.c13cccc(O)c1.CO2 |
25828 | COC(=O)C1=C(C)NC(=O)NC1C1CCCCC1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][C][C][C][C][C][Ring1][=Branch1] | C2(=O)C1=C(C)NC(=O)NC13.C13CCCCC1.CO2 |
25829 | CCOC(=O)C1=C(C)NC(=O)NC1C1CCCCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][C][C][C][C][C][Ring1][=Branch1] | C2(=O)C1=C(C)NC(=O)NC14.C14CCCCC1.CC3.O23 |
25830 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(C)(C)CO | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][N][C][Branch1][C][C][Branch1][C][C][C][O] | C2(=O)C1=C(C)NC(C)=C(C3=O)C14.C4(C)(C)CO.CO2.O3C |
25831 | C=CC1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC | [C][=C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Ring1][N][C][=Branch1][C][=O][O][C] | C=CC1C(C2=O)=C(C)NC(C)=C1C3=O.O2C.O3C |
25832 | CC(=O)NC(c1ccccc1)c1ccc(Cl)cc1 | [C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.c14ccccc1.CC2=O.C345.N23 |
25833 | N#Cc1nc(-c2ccc(F)cc2)oc1N1CCCC1 | [N][#C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=Ring1][N][N][C][C][C][C][Ring1][Branch1] | N#Cc1nc4oc13.c14ccc(F)cc1.N13CCCC1 |
25834 | N#Cc1nc(-c2ccc(F)cc2)oc1NCc1ccco1 | [N][#C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=Ring1][N][N][C][C][=C][C][=C][O][Ring1][Branch1] | N#Cc1nc6oc14.c16ccc(F)cc1.c15ccco1.N34.C35 |
25835 | CCCc1cc(=O)oc2cc(C)cc(OC(C)=O)c12 | [C][C][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][S][Ring1][O] | c15cc(=O)oc2cc(C)cc4c12.CCC5.C3(C)=O.O34 |
25836 | COC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][=N][C] | c15ccc2c(C)c(C)c(=O)oc2c1C.C3(=O)C4.CO3.O45 |
25837 | COC(=O)C(C)Oc1ccc2c(C)c(C)c(=O)oc2c1C | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][=N][C] | c15ccc2c(C)c(C)c(=O)oc2c1C.C3(=O)C4C.CO3.O45 |
25838 | Cc1ccc(Nc2nc3c(c(=O)[nH]c(=O)n3C)n2CCC(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][N][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch2] | c14nc2c(c(=O)[nH]c(=O)n2C)n16.Cc1ccc5cc1.C6CC(C)C.N45 |
25839 | CCOC(=O)C=C(C)N1CCN(c2ccccc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | C=6(C)N1CCN5CC1.c15ccccc1.C3(=O)C=6.CC4.O34 |
25842 | Nc1ccc2c(c1)OC1(O)c3ccccc3C(=O)C21O | [N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][#C][Ring1][O][O] | Nc1ccc2c(c1)OC1(O)c3ccccc3C(=O)C21O |
25843 | COc1ccc(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1] | S5(=O)(=O)c1ccc7cc1.c14ccc6cc1.n17cnnn1.CO4.N56 |
25844 | CCOC(=O)c1ccc(-c2c(C)oc3cc(OC)ccc3c2=O)o1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Branch1][C][C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][Ring1][=N][=O][O][Ring2][Ring1][Ring1] | c18c(C)oc2cc6ccc2c1=O.c17ccc8o1.C47=O.CC5.O45.O6C |
25845 | Oc1ccccc1-c1oncc1-c1ccc2c(c1)OCCO2 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][N][=C][C][=Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.Oc1ccccc13.c13oncc14 |
25846 | Cc1csc(-c2coc3c4c(ccc3c2=O)OCCO4)n1 | [C][C][=C][S][C][Branch2][Ring1][Branch2][C][=C][O][C][=C][C][=Branch1][#Branch2][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][O][C][C][O][Ring1][O][=N][Ring2][Ring1][Ring2] | c15coc2c3c(ccc2c1=O)OCCO3.Cc1csc5n1 |
25847 | COC(=O)COc1cc(C)c2c(=O)c(-c3nc(C)cs3)coc2c1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][Branch1][O][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][=C][O][C][Ring1][=N][=C][Ring2][Ring1][C] | c16cc(C)c2c(=O)c7coc2c1.c17nc(C)cs1.C4(=O)C5.CO4.O56 |
25848 | CSc1nc(SC)c2c(n1)nc1n2CCS1 | [C][S][C][=N][C][Branch1][Ring1][S][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch2][N][=C][N][Ring1][=Branch1][C][C][S][Ring1][Branch1] | c13nc4c2c(n1)nc1n2CCS1.CS3.S4C |
25849 | COC(=O)C(C)Sc1nc2[nH]c(=O)n(C)c(=O)c2[nH]1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][NH1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2][NH1][Ring1][N] | c15nc2[nH]c(=O)n(C)c(=O)c2[nH]1.C3(=O)C4C.CO3.S45 |
25850 | Cc1ccc(C)c(C(O)CNc2nnc(-c3ccccc3)o2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Branch2][C][Branch1][C][O][C][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][=C][Ring2][Ring1][=Branch1] | Cc1ccc(C)c6c1.c15nnc7o1.c17ccccc1.C6(O)C4.N45 |
25851 | Cn1c(=O)c2nc3sc(-c4ccccc4)cn3c2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][N][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][O][C][=Ring1][=C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] | Cn1c(=O)c2nc3sc5cn3c2n(C)c1=O.c15ccccc1 |
25852 | CCCc1nnc(SCC(=O)N(c2ccccc2)C(C)C)n1N | [C][C][C][C][=N][N][=C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][N][Ring2][Ring1][Ring1][N] | c17nnc8n1N.c16ccccc1.C5C3=O.CCC7.N346.C4(C)C.S58 |
25853 | O=C(CSc1nnnn1-c1ccccc1)c1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13ccc(Cl)cc1.c15nnnn14.c14ccccc1.O=C3C2.S25 |
25854 | Cc1ccc(C(=O)CSc2nnnn2-c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc4cc1.c16nnnn15.c15ccccc1.C4(=O)C3.S36 |
25855 | COc1ccc(C(=O)CSc2nnnn2-c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c13ccc5cc1.c17nnnn16.c16ccccc1.C5(=O)C4.CO3.S47 |
25856 | O=C(Nc1ccn(-c2ccccc2)n1)c1ccccc1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccn6n1.c16ccccc1.c15ccccc1.O=C35.N34 |
25857 | COc1ccc(CNC(=O)NC2CCCCC2)cc1 | [C][O][C][=C][C][=C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc8cc1.C17CCCCC1.C34=O.CO5.C68.N36.N47 |
25858 | CC(CO)(CO)NC(=O)Nc1ccc(Cl)c(Cl)c1 | [C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.CC4(CO)CO.C23=O.N24.N35 |
25860 | NC(=O)CNC(=O)Nc1ccc(Cl)c(Cl)c1 | [N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.NC(=O)C4.C23=O.N24.N35 |
25861 | Cc1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring1][P] | Cc1ccc(S3(=O)=O)cc1.c14cccc(O)c1.N34 |
25862 | Cc1ccc(S(=O)(=O)N=c2cccc(C)[nH]2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][C][=C][C][=C][Branch1][C][C][NH1][Ring1][#Branch1][C][=C][Ring1][P] | Cc1ccc(S(=O)(=O)N=c2cccc(C)[nH]2)cc1 |
25865 | Oc1c(Br)cc(F)cc1Br | [O][C][=C][Branch1][C][Br][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Br] | Oc1c(Br)cc(F)cc1Br |
25867 | COc1ccc(C(=O)Nc2cccc(Br)c2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Ring1][S][O][C] | c14ccc7cc15.c16cccc(Br)c1.C37=O.CO4.N36.O5C |
25868 | COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][S][O][C] | c14ccc7cc15.c16ccc(Br)cc1.C37=O.CO4.N36.O5C |
25869 | CCOC(=O)Cc1nnc(-c2ccccc2Cl)o1 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][N] | c16ccccc1Cl.c15nnc6o1.C3(=O)C5.CC4.O34 |
25870 | CCOC(=O)Cc1nnc(-c2ccc(OC)cc2)o1 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][Ring1][=N] | c17ccc5cc1.c16nnc7o1.C3(=O)C6.CC4.O34.O5C |
25871 | CCOC(=O)Cc1nnc(-c2ccccc2OC)o1 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][=N] | c17ccccc15.c16nnc7o1.C3(=O)C6.CC4.O34.O5C |
25872 | COc1cccc(F)c1C(=O)Nc1ccc(C)cc1 | [C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c13cccc(F)c15.c14ccc(C)cc1.C25=O.CO3.N24 |
25873 | COc1ccc(NC(=O)c2c(F)cccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][O][C][C][=C][Ring2][Ring1][C] | c17c5cccc1F.c14ccc6cc1.C37=O.CO4.N36.O5C |
25874 | COc1cccc(NC(=O)c2c(F)cccc2OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][C] | c17c5cccc1F.c14cccc6c1.C37=O.CO4.N36.O5C |
25875 | Cc1cccc(Br)c1NC(=O)c1ccco1 | [C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | Cc1cccc(Br)c13.c14ccco1.C24=O.N23 |
25876 | CCOC(=O)N1CCC(Nc2ccc(Cl)cc2N)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][Ring1][#C] | c16ccc(Cl)cc1N.N14CCC7CC1.C34=O.CC5.O35.N67 |
25877 | OCc1ccc(CCCc2ccc(CO)cc2)cc1 | [O][C][C][=C][C][=C][Branch1][S][C][C][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][=C][Ring1][P] | c13ccc4cc1.c15ccc6cc1.C4CC5.OC3.C6O |
25878 | CS(=O)(=O)c1ccc(C=Cc2ccc(S(C)(=O)=O)cc2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | CS(=O)(=O)c1ccc(C=3)cc1.C=3c1ccc(S(C)(=O)=O)cc1 |
25879 | CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2s1 | [C][S][C][=N][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][S][Ring2][Ring1][C] | c15nc2cc(S4(=O)=O)ccc2s1.N14CCCCC1.CS5 |
25880 | CCn1c(-c2cccc(N)c2)cc(=O)n1-c1ccccc1 | [C][C][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=C][C][=Branch1][C][=O][N][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | n13c5cc(=O)n14.c15cccc(N)c1.c14ccccc1.CC3 |
25881 | CCC(=O)N1CN(C(=O)CC)CN(C(=O)CC)C1 | [C][C][C][=Branch1][C][=O][N][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][Ring1][=C] | N12CN3CN4C1.CCC2=O.C3(=O)CC.C4(=O)CC |
25882 | COc1ccc(N)c(NS(=O)(=O)c2ccc(C)cc2)c1 | [C][O][C][=C][C][=C][Branch1][C][N][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C] | S4(=O)(=O)c1ccc(C)cc1.c13ccc(N)c5c1.CO3.N45 |
25883 | Cc1cccc(CC2(O)C(=O)Nc3ccccc32)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=N][Ring2][Ring1][C] | C4C1(O)C(=O)Nc2ccccc21.Cc1cccc4n1 |
25884 | COc1cccc(CNc2ccc(C)cc2)c1OC | [C][O][C][=C][C][=C][C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring1][#C][O][C] | c13cccc7c14.c16ccc(C)cc1.CO3.C57.N56.O4C |
25885 | CCOC(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N] | N14CCC2(CC1)NC(=O)c1ccccc1N2.C34=O.CC5.O35 |
25886 | CC(=O)Nc1ccc(CNc2ccc(F)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][#C] | c15ccc7cc1.c16ccc(F)cc1.CC3=O.N35.C47.N46 |
25887 | C=CCc1ccc(OC(=O)Cc2ccccc2)c(OC)c1 | [C][=C][C][C][=C][C][=C][Branch1][#C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c16ccc4c5c1.c17ccccc1.C3(=O)C7.C=CC6.O34.O5C |
25888 | CSc1ccc(NCc2ccc(NC(C)=O)cc2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | c18ccc5cc1.c17ccc6cc1.C3(C)=O.CS8.N45.C47.N36 |
25889 | CC(=O)Nc1ccc(CNc2ccc(Cl)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][#C] | c15ccc7cc1.c16ccc(Cl)cc1.CC3=O.N35.C47.N46 |
25890 | CC(=O)Nc1ccc(CNc2ccc(C)c(Cl)c2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring1][S] | c16ccc(C)c(Cl)c1.c15ccc7cc1.CC3=O.N35.C47.N46 |
25892 | Cc1ccc(C)c(C2NC(=O)c3ccccc3N2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][=C][Ring2][Ring1][C] | C14NC(=O)c2ccccc2N1.Cc1ccc(C)c4c1 |
25893 | COc1ccc(C2NC(=O)c3ccccc3N2)c(OC)c1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | C17NC(=O)c2ccccc2N1.c14ccc7c5c16.CO4.O5C.O6C |
25895 | CCOc1ccc(C2NC(=O)c3ccccc3N2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][Ring1][P] | C16NC(=O)c2ccccc2N1.c15ccc6cc1.CC4.O45 |
25896 | Nc1ccccc1-n1nc2ccc3ccccc3c2n1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=N] | n14nc2ccc3ccccc3c2n1.Nc1ccccc14 |
25897 | Cc1cc(C)cc(-n2nnc3ccccc3c2=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][S][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][C] | n14nnc2ccccc2c1=O.Cc1cc4cc(C)c1 |
25898 | CNS(=O)(=O)c1ccc2c(c1)nc(SC)n2C | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][Ring1][S][C][N][Ring1][Branch2][C] | S3(=O)(=O)c1ccc2c(c1)nc4n2C.CN3.S4C |
25899 | COc1cc(C(C#N)OC(C)=O)ccc1OC(C)=O | [C][O][C][=C][C][Branch1][N][C][Branch1][Ring1][C][#N][O][C][Branch1][C][C][=O][=C][C][=C][Ring1][=N][O][C][Branch1][C][C][=O] | c15cc7ccc16.C47C#N.C2(C)=O.C3(C)=O.CO5.O24.O36 |
25900 | CC(=O)Nc1ccc(C2NC(=O)c3ccccc3N2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][Ring1][P] | C16NC(=O)c2ccccc2N1.c15ccc6cc1.CC4=O.N45 |
25901 | COc1cccc(C2NC(=O)c3ccccc3N2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][=C][Ring1][P] | C15NC(=O)c2ccccc2N1.c14cccc5c1.CO4 |
25902 | COc1cc(S(=O)(=O)Nc2ccccc2)c(OC)cc1N | [C][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][C][N] | c13cc(S5(=O)=O)c4cc1N.c16ccccc1.CO3.N56.O4C |
25903 | O=C(Nc1ccsn1)c1ccc(Cl)cc1Cl | [O][=C][Branch1][=Branch2][N][C][C][=C][S][N][=Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.c13ccsn1.O=C24.N23 |
25905 | CC(=O)N(C)c1ccc(NC(=O)c2ccccc2Cl)cc1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][S] | c15ccc6cc1.c17ccccc1Cl.CC3=O.N35C.C47=O.N46 |
25906 | CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.c15ccccc1.CN23.C24=O.C35 |
25907 | COc1cc2nn(-c3ccccc3N)nc2cc1OC | [C][O][C][=C][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Ring1][N][C][=C][Ring1][S][O][C] | c14cc2nn6nc2cc15.c16ccccc1N.CO4.O5C |
25908 | CCn1c(SCC(=O)c2cccs2)nnc1-c1ccco1 | [C][C][N][C][Branch1][=C][S][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][N][=C][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | n15c6nnc17.c14cccs1.c17ccco1.C3C4=O.CC5.S36 |
25909 | CCn1c(SCC(=O)Nc2nonc2C)nnc1-c1ccco1 | [C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=N][O][N][=C][Ring1][Branch1][C][=N][N][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | n16c7nnc18.c15nonc1C.c18ccco1.C4C3=O.CC6.S47.N35 |
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