ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
5708 | Cc1ccc2c(N)c(C(=O)Nc3cc(C)on3)sc2n1 | [C][C][=C][C][=C][C][Branch1][C][N][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][S][C][Ring1][#C][=N][Ring2][Ring1][Ring1] | Cc1ccc2c(N)c6sc2n1.c15cc(C)on1.C46=O.N45 |
5709 | Cc1cc(NC(=O)CSc2nc3c(cc2C#N)CCC3)no1 | [C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][#N][C][C][C][Ring1][=Branch2][=N][O][Ring2][Ring1][Branch1] | c17nc2c(cc1C#N)CCC2.Cc1cc6no1.C4(=O)C5.N46.S57 |
5710 | Cc1cc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)no1 | [C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][#N][C][C][C][C][Ring1][#Branch2][=N][O][Ring2][Ring1][=Branch1] | c17nc2c(cc1C#N)CCCC2.Cc1cc6no1.C4(=O)C5.N46.S57 |
5711 | CC(C)N(C(=O)Cn1cnc2ccccc21)c1ccccc1 | [C][C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16cnc2ccccc21.c15ccccc1.C3(=O)C6.CC4C.N345 |
5712 | Cc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] | Cc1nc2ccccc2n16.c15ccccc1.C6C3=O.N345.C4(C)C |
5713 | COc1ccc(OCC(=O)Nc2cc(C)on2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring1][P] | c15ccc6cc1.c17cc(C)on1.C4C3=O.CO5.O46.N37 |
5714 | COc1cc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)ccc1OC(C)=O | [C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][C][=C][Ring1][P][O][C][Branch1][C][C][=O] | c15cc8ccc16.c17c[nH]c(=O)[nH]c1=O.C48=O.C3(C)=O.CO5.N47.O36 |
5715 | COc1cc(-c2nc3ccccc3c(=O)o2)ccc1OC(C)=O | [C][O][C][=C][C][Branch2][Ring1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O][=C][C][=C][Ring1][P][O][C][Branch1][C][C][=O] | c17nc2ccccc2c(=O)o1.c15cc7ccc16.C4(C)=O.CO5.O46 |
5716 | O=C1CC(c2nc3ccccc3[nH]2)CN1c1ccccc1 | [O][=C][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nc2ccccc2[nH]1.O=C1CC5CN14.c14ccccc1 |
5717 | CC(=O)Oc1ccc2nc(-c3ccc(F)cc3)oc(=O)c2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][Ring1][=C][=C][Ring2][Ring1][C] | c15ccc2nc6oc(=O)c2c1.c16ccc(F)cc1.CC4=O.O45 |
5718 | COc1cc(C(=O)Nc2c(F)cccc2F)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc8cc5c16.c17c(F)cccc1F.C38=O.CO4.N37.O5C.O6C |
5719 | CC(O)c1nc2ccccc2n1C(C)c1ccccc1 | [C][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14nc2ccccc2n13.c15ccccc1.CC4O.C35C |
5720 | Cn1ccnc1SCC(=O)Nc1cccc2ccccc12 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2ccccc12.Cn1ccnc16.C4C3=O.S46.N35 |
5722 | CC(C)Oc1ccccc1NC(=O)CSc1nccn1C | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C] | c14ccccc16.c17nccn1C.C2(=O)C5.CC3C.O34.N26.S57 |
5723 | CC1Cn2c(nnc2-c2ccccc2Cl)S1 | [C][C][C][N][C][=Branch1][#C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][Ring1][#C] | CC1Cn2c3nnc2S1.c13ccccc1Cl |
5724 | Cc1cc(N2CCOCC2)nc(N2CCOCC2)n1 | [C][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] | Cc1cc3nc4n1.N13CCOCC1.N14CCOCC1 |
5725 | Cn1c(=O)c2c(ncn2Cc2ccccn2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch1][#C][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][C][=O] | Cn1c(=O)c2c(ncn23)n(C)c1=O.c14ccccn1.C34 |
5727 | O=C(Cn1c(=O)oc2ccccc21)Nc1cccc2ccccc12 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | n15c(=O)oc2ccccc21.c14cccc2ccccc12.O=C3C5.N34 |
5728 | O=C(Cn1c(=O)oc2ccccc21)N1CCCCC1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1] | n14c(=O)oc2ccccc21.N13CCCCC1.O=C3C4 |
5729 | O=C(Cn1c(=O)sc2ccccc21)Nc1ccccc1Cl | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | n15c(=O)sc2ccccc21.c14ccccc1Cl.O=C3C5.N34 |
5730 | CCN(CC)C(=O)Cn1c(=O)sc2ccccc21 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n16c(=O)sc2ccccc21.C3(=O)C6.N345.CC4.C5C |
5731 | Cn1nc(CC(=O)Nc2cccc(Cl)c2)c2ccccc2c1=O | [C][N][N][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] | Cn1nc5c2ccccc2c1=O.c14cccc(Cl)c1.C5C3=O.N34 |
5732 | COc1ccc(Br)c(C(=O)NC(C)(C)CO)c1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][Branch1][#C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][O][=C][Ring1][#C] | c13ccc(Br)c5c1.C4(C)(C)CO.C25=O.CO3.N24 |
5733 | COc1cccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=Branch2][C][#N][=C][Ring2][Ring1][=Branch1] | c17nc(C)c(C)c(C)c1C#N.c14cccc6c1.C3(=O)C5.CO4.N36.S57 |
5734 | COc1ccc(-n2c(C)cc(=O)c3c2CC(C)(C)CC3=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][=O][C][=C][Ring2][Ring1][Branch1] | n15c(C)cc(=O)c2c1CC(C)(C)CC2=O.c14ccc5cc1.CO4 |
5735 | N#Cc1cc2c(cc1C#N)N1CCCCC1C1CCCCN21 | [N][#C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][#N][N][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][N][Ring2][Ring1][C][Ring1][=Branch1] | N#Cc1cc2c(cc1C#N)N1CCCCC1C1CCCCN21 |
5736 | COc1ccc(NC(=O)C2CC(=O)OC2c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c14ccc5cc1.C16CC(=O)OC17.c17ccccc1.C36=O.CO4.N35 |
5737 | COc1ccc(Br)c(C(=O)Nc2ccccc2C(C)=O)c1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][Ring1] | c14ccc(Br)c6c1.c15ccccc17.C36=O.C7(C)=O.CO4.N35 |
5738 | O=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1F | [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][C][=C][Ring1][=Branch1][F] | C167CCOCC1.c15ccccc1F.c17ccccc1.O=C35.N34.C46 |
5739 | COc1ccc(Cn2nnc(C(=O)Nc3ccc(F)cc3)c2N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][N][=N][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][#C][N][C][=C][Ring2][Ring1][#Branch1] | c15ccc9cc1.n18nnc7c1N.c16ccc(F)cc1.C47=O.CO5.C89.N46 |
5740 | CCc1c(-c2ccccc2)nc2nc(C)c(C)nn12 | [C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][=C][Branch1][C][C][C][Branch1][C][C][=N][N][Ring1][P][Ring1][Branch2] | c13c4nc2nc(C)c(C)nn12.c14ccccc1.CC3 |
5743 | CC(=O)Nc1ccc(-c2cn(CC(N)=O)cn2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][=C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=N][Ring1][=Branch2][C][=C][Ring1][#C] | c14ccc6cc1.c16cn5cn1.C5C(N)=O.CC3=O.N34 |
5744 | CSc1nc2c(cnn2-c2ccccc2)c(=O)n1N | [C][S][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][N] | c14nc2c(cnn23)c(=O)n1N.c13ccccc1.CS4 |
5747 | CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][C][Ring2][Ring1][C] | S7(=O)(=O)c1cc(C)ccc16.N14CCN7CC1.C34=O.CC5.O35.O6C |
5749 | O=C(NCc1ccco1)c1cc2cc(Br)ccc2oc1=O | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c15cc2cc(Br)ccc2oc1=O.c16ccco1.O=C35.N34.C46 |
5750 | COc1ccc(Br)c(C(=O)NCc2cccs2)c1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][S] | c14ccc(Br)c6c1.c17cccs1.C36=O.CO4.N35.C57 |
5752 | Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=C][Ring2][Ring1][#Branch1] | S5(=O)(=O)c1ccccc1.Cc1cccc6c1.N14CCN5CC1.C46=O |
5753 | C#CC(C)(CC)NC(=O)c1cc2cc(Br)ccc2oc1=O | [C][#C][C][Branch1][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c15cc2cc(Br)ccc2oc1=O.C#CC4(C)CC.C35=O.N34 |
5754 | CCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c14ccc(S5(=O)=O)cc1.N15CCC6CC1.C6(N)=O.CC3.O34 |
5755 | COc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1Cl | [C][O][C][=C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][C][Cl] | c13cc(S4(=O)=O)ccc1Cl.N14CCC5CC1.C5(N)=O.CO3 |
5757 | COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(N)=O)CC1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2] | c12ccc(Cl)cc1S3(=O)=O.N13CCC4CC1.C4(N)=O.CO2 |
5758 | COc1ccc(OC)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c13ccc4c(S5(=O)=O)c1.N15CCC6CC1.C6(N)=O.CO3.O4C |
5759 | COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S5(=O)=O)cc14.N15CCC6CC1.C6(N)=O.CO3.O4C |
5760 | O=C(Nc1ncccn1)C1c2ccccc2Oc2ccccc21 | [O][=C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | O=C3C1c2ccccc2Oc2ccccc21.c14ncccn1.N34 |
5761 | O=C(NCc1ccco1)c1cc2cc(Cl)cc(Cl)c2oc1=O | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Ring1][N][=O] | c15cc2cc(Cl)cc(Cl)c2oc1=O.c16ccco1.O=C35.N34.C46 |
5762 | COc1ccc(CNC(=O)c2cc3cc(OC)ccc3oc2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][Ring1][N][=O][C][=C][Ring2][Ring1][#Branch1] | c18cc2cc6ccc2oc1=O.c15ccc9cc1.C48=O.CO5.C79.N47.O6C |
5764 | Cn1c(=O)c2cn(-c3ccc(F)cc3)cc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][N][N][Branch1][C][C][C][Ring2][Ring1][C][=O] | Cn1c(=O)c2cn4cc2n(C)c1=O.c14ccc(F)cc1 |
5765 | CCn1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C | [C][C][N][C][=C][C][=Branch1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][S][C] | n13cc2c(c14)c(=O)n(C)c(=O)n2C.c14ccccc1.CC3 |
5767 | COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2NC(C)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=C][N][Ring1][=N][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][#Branch1] | c15c2c(=O)n(C)c(=O)n(C)c2cn1NC(C)=O.c14ccc5cc1.CO4 |
5768 | Cc1cc(C)n(C(=O)CNC(=O)c2ccccc2Cl)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n(C(=O)C4)n1.c15ccccc1Cl.C35=O.N34 |
5769 | Cc1ccc2cccc(OC(=O)N3CCCCCC3)c2n1 | [C][C][=C][C][=C][C][=C][C][=C][Branch1][#C][O][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][S][=N][Ring2][Ring1][Ring2] | Cc1ccc2cccc6c2n1.N15CCCCCC1.C45=O.O46 |
5770 | Cc1ccc2cccc(OC(=O)N(C)c3ccccc3)c2n1 | [C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=N][Ring2][Ring1][Branch1] | Cc1ccc2cccc6c2n1.c17ccccc1.C45=O.N57C.O46 |
5771 | CC(=O)c1c(Nc2cccc(C)c2)oc(C)cc1=O | [C][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][=C][C][Ring1][#C][=O] | c15c3oc(C)cc1=O.c14cccc(C)c1.CC5=O.N34 |
5772 | CC(=O)c1c(Nc2ccc3c(c2)OCO3)oc(C)cc1=O | [C][C][=Branch1][C][=O][C][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][C][Branch1][C][C][=C][C][Ring1][P][=O] | c16c4oc(C)cc1=O.c15ccc2c(c1)OCO2.CC6=O.N45 |
5773 | CC(=O)c1c(Nc2ccccc2O)oc(C)cc1=O | [C][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][O][C][Branch1][C][C][=C][C][Ring1][#C][=O] | c15c3oc(C)cc1=O.c14ccccc1O.CC5=O.N34 |
5774 | COc1cc2cc(-c3nc4ccccc4[nH]3)c(N)nc2cc1OC | [C][O][C][=C][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Branch1][C][N][N][=C][Ring1][S][C][=C][Ring2][Ring1][Ring2][O][C] | c15cc2cc7c(N)nc2cc16.c17nc2ccccc2[nH]1.CO5.O6C |
5775 | NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P] | c14ccc5cc1.c15nnc6o1.c16ccccc1.NC4=O |
5776 | COC(=O)C1C(c2ccc(C)cc2)c2c(O)n[nH]c2CC1(C)O | [C][O][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Branch1][C][O][=N][NH1][C][=Ring1][=Branch1][C][C][Ring1][P][Branch1][C][C][O] | C14C(c2ccc(C)cc2)c2c(O)n[nH]c2CC1(C)O.C34=O.CO3 |
5777 | N#CC1=NC(c2ccccc2)C(c2ccccc2)=NC1C(N)=O | [N][#C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][C][C][Branch1][C][N][=O] | N#CC1=NC4C(c2ccccc2)=NC13.c14ccccc1.C3(N)=O |
5778 | CC1CCCC(C)N1C(=O)c1scc2c1OCCO2 | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][O][C][C][O][Ring1][=Branch1] | c14scc2c1OCCO2.CC1CCCC(C)N13.C34=O |
5779 | Cc1ccc(N)c(C(=O)Nc2ccc(Br)cc2)c1 | [C][C][=C][C][=C][Branch1][C][N][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring1][P] | Cc1ccc(N)c5c1.c14ccc(Br)cc1.C35=O.N34 |
5781 | COc1cc(C(CC#N)CC#N)cc(OC)c1OC | [C][O][C][=C][C][Branch1][#Branch2][C][Branch1][Ring2][C][C][#N][C][C][#N][=C][C][Branch1][Ring1][O][C][=C][Ring1][#C][O][C] | c12cc5cc3c14.C5(CC#N)CC#N.CO2.O3C.O4C |
5782 | COc1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Branch1] | c17cc2ccccc2oc1=O.c15ccc8cc1.C47=O.CO5.C68.N46 |
5784 | C#CC(C)(CC)NC(=O)c1cc(OC)c(OC)c(OC)c1 | [C][#C][C][Branch1][C][C][Branch1][Ring1][C][C][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] | c17cc3c4c5c1.C#CC6(C)CC.C27=O.N26.O3C.O4C.O5C |
5785 | COC(=O)CSc1nc(N)c2c(C)c(C)sc2n1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=N][Ring1][N] | c15nc(N)c2c(C)c(C)sc2n1.C3(=O)C4.CO3.S45 |
5786 | C#CC(C)(CC)NC(=O)c1ccc(OC)c(OC)c1 | [C][#C][C][Branch1][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c16ccc3c4c1.C#CC5(C)CC.C26=O.N25.O3C.O4C |
5787 | COC(=O)C1C(c2ccc(OC)cc2)c2c(O)n[nH]c2CC1(C)O | [C][O][C][=Branch1][C][=O][C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Branch1][C][O][=N][NH1][C][=Ring1][=Branch1][C][C][Ring2][Ring1][C][Branch1][C][C][O] | C15C(c2ccc4cc2)c2c(O)n[nH]c2CC1(C)O.C35=O.CO3.O4C |
5788 | NC(=O)CC(CC(N)=O)c1c(Cl)cccc1Cl | [N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | NC(=O)CC2CC(N)=O.c12c(Cl)cccc1Cl |
5789 | O=C1CCN(C(=O)c2ccccc2F)c2ccccc21 | [O][=C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | O=C1CCN3c2ccccc21.c14ccccc1F.C34=O |
5790 | O=C1c2ccccc2-c2nc3ncnn3c(-c3ccc(F)cc3)c21 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][S][Ring2][Ring1][#Branch1] | O=C1c2ccccc2-c2nc3ncnn3c4c21.c14ccc(F)cc1 |
5791 | CCOc1ccc2c(c1)sc1nc(=O)n(-c3ccccc3)c(=O)n12 | [C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=C][Ring2][Ring1][C] | c15ccc2c(c1)sc1nc(=O)n6c(=O)n12.c16ccccc1.CC4.O45 |
5792 | CC(=O)c1c(Nc2ccccc2N)oc(C)cc1=O | [C][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][O][C][Branch1][C][C][=C][C][Ring1][#C][=O] | c15c3oc(C)cc1=O.c14ccccc1N.CC5=O.N34 |
5793 | CC(=O)c1c(Nc2ccc(F)cc2)oc(C)cc1=O | [C][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][=C][C][Ring1][#C][=O] | c15c3oc(C)cc1=O.c14ccc(F)cc1.CC5=O.N34 |
5794 | COc1ccccc1NC1OC(=O)c2ccccc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N4C1OC(=O)c2ccccc21.c13ccccc14.CO3 |
5795 | CCOc1ccccc1NC1OC(=O)c2ccccc21 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N5C1OC(=O)c2ccccc21.c14ccccc15.CC3.O34 |
5797 | COC(=O)c1ccccc1NC1OC(=O)c2ccccc21 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N4C1OC(=O)c2ccccc21.c15ccccc14.C35=O.CO3 |
5798 | COC(=O)c1cc(NC2OC(=O)c3ccccc32)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][N][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch1] | N6C1OC(=O)c2ccccc21.c17cc6cc8c1.C47=O.C58=O.CO4.O5C |
5799 | CC(=O)c1cccc(NC2OC(=O)c3ccccc32)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring1][P] | N4C1OC(=O)c2ccccc21.c15cccc4c1.CC5=O |
5801 | Cc1ccc2cccc(NC3OC(=O)c4ccccc43)c2n1 | [C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][C][N][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Ring1][P][=N][Ring2][Ring1][Branch1] | Cc1ccc2cccc5c2n1.N5C1OC(=O)c2ccccc21 |
5804 | O=S(=O)(NCCc1cccs1)c1ccc(Cl)cc1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=S3(=O)c1ccc(Cl)cc1.c14cccs1.C2C4.N23 |
5805 | Cc1onc(-c2ccccc2)c1C(=O)NCCc1cccs1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][S][Ring1][Branch1] | Cc1onc7c15.c17ccccc1.c16cccs1.C35=O.C4C6.N34 |
5806 | Cn1ccnc1SCC(=O)Nc1ccc2c(c1)OCO2 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.Cn1ccnc16.C4C3=O.S46.N35 |
5807 | COC(=O)c1ccc(NC(=O)c2c(Br)cnn2C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][Br][C][=N][N][Ring1][=Branch1][C][C][=C][Ring1][S] | c17ccc5cc1.c16c(Br)cnn1C.C37=O.C46=O.CO3.N45 |
5808 | O=C(Nc1cnc2ccccc2c1)c1cccs1 | [O][=C][Branch1][S][N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1] | c14cnc2ccccc2c1.c15cccs1.O=C35.N34 |
5809 | Cc1cc(C)c(C#N)c(SCC(=O)N2CCCCC2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc(C)c(C#N)c5n1.N13CCCCC1.C4C3=O.S45 |
5810 | N#Cc1cc2c(nc1SCC(=O)N1CCCCC1)CCCCC2 | [N][#C][C][=C][C][=C][Branch2][Ring1][Ring1][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][Ring2][Ring1][Ring1] | N#Cc1cc2c(nc15)CCCCC2.N13CCCCC1.C4C3=O.S45 |
5811 | O=C1OC2(O)C3C4C=CC(C4)C3C(=O)N2c2ccccc21 | [O][=C][O][C][Branch1][C][O][C][C][C][=C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | O=C1OC2(O)C3C4C=CC(C4)C3C(=O)N2c2ccccc21 |
5814 | COC(=O)CC1(O)c2ccccc2C(=O)N1Cc1ccccc1 | [C][O][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3(=O)CC1(O)c2ccccc2C(=O)N14.c15ccccc1.CO3.C45 |
5815 | CC(C)CNC(=O)C1CC(=O)N(c2ccc(O)cc2)C1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N6C1.c16ccc(O)cc1.CC(C)C4.C35=O.N34 |
5816 | COc1cccc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=C][Ring2][Ring1][=Branch1] | c15cccc6c1.C17CC(=O)N8C1.c19ccccc1.C47=O.CO5.N46.C89 |
5817 | CC1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | [C][C][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][S] | S3(=O)(=O)c1ccc(Cl)cc1.CC1CCCN3C1 |
5818 | CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 | [C][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S3(=O)(=O)c1ccc(Cl)cc1.CC1CCN3CC1 |
5820 | CSc1nnc(NCc2cccc(Cl)c2)s1 | [C][S][C][=N][N][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Ring1][=C] | c15cccc(Cl)c1.c16nnc4s1.CS6.N34.C35 |
5821 | C=CCN(CC=C)S(=O)(=O)c1ccc(Cl)cc1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(Cl)cc1.C=CC2.N234.C3C=C |
5822 | O=C(CSc1ncccn1)Nc1ccc(F)c(Cl)c1 | [O][=C][Branch1][O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(F)c(Cl)c1.c15ncccn1.O=C2C3.S35.N24 |
5823 | COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1ccncc1 | [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][=C][C][=N][C][=C][Ring1][=Branch1] | C2(=O)C1=C(C)N=C(C)C4C15.c15ccncc1.C34=O.CO2.O3C |
5824 | COc1ccc(CNC(=O)c2cccc(C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | c14ccc7cc1.c16cccc(C)c1.C36=O.CO4.C57.N35 |
5825 | COc1ccc(NC(=O)c2cccc(C)c2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c14ccc6c5c1.c17cccc(C)c1.C37=O.CO4.N36.O5C |
5830 | COc1ccccc1-c1coc2cc(OC(C)=O)ccc2c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][C][Ring1][=C][=O] | c16coc2cc5ccc2c1=O.c14ccccc16.C3(C)=O.CO4.O35 |
5831 | CCOc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1] | c16ccc8cc1.N14CCN7CC1.c17ccc(F)cc1.C48=O.CC5.O56 |
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