ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1716 | CCn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C | [C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][C][C][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.C3C(C)C.CC4.S35 |
1717 | CCC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CC | [C][C][C][Branch1][C][C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C] | c15nc2c(c(=O)[nH]c(=O)n2C)n14.CCC3C.S35.C4C |
1718 | CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(C)C | [C][C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][Branch1][C][C][C] | c15nc2c(c(=O)[nH]c(=O)n2C)n14.C4C(C)C.CC3.S35 |
1719 | CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1CC(N)=O | [C][C][N][Branch1][Ring1][C][C][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][Branch1][C][N][=O] | c15nc2c(c(=O)[nH]c(=O)n2C)n16.C6C(N)=O.N345.CC3.C4C |
1720 | Brc1cccc(-c2nnc(-c3ccncc3)o2)c1 | [Br][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O][=C][Ring1][P] | Brc1cccc4c1.c14nnc5o1.c15ccncc1 |
1721 | CC(=O)c1cc(Cl)ccc1OC(=O)c1ccco1 | [C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c15cc(Cl)ccc13.c14ccco1.CC5=O.C24=O.O23 |
1722 | O=C(Nc1ccccc1C(F)(F)F)c1cccnc1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13ccccc15.c14cccnc1.C5(F)(F)F.O=C24.N23 |
1723 | O=C(CSc1ccccn1)c1ccc(Cl)cc1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13ccc(Cl)cc1.c14ccccn1.O=C3C2.S24 |
1724 | O=C(NC(n1cnccc1=O)C(Cl)(Cl)Cl)c1ccccc1 | [O][=C][Branch2][Ring1][=Branch1][N][C][Branch1][#Branch2][N][C][=N][C][=C][C][Ring1][=Branch1][=O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15cnccc1=O.C35C(Cl)(Cl)Cl.c14ccccc1.O=C24.N23 |
1725 | COC(=O)C1=C(C)NC(=O)NC1c1cccc(Br)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][Br][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(=O)NC13.c13cccc(Br)c1.CO2 |
1726 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(F)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(=O)NC13.c13ccc(F)cc1.CO2 |
1728 | Cc1ccc(Nc2nc3c([nH]2)c(=O)[nH]c(=O)n3C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][Ring1] | c14nc2c([nH]1)c(=O)[nH]c(=O)n2C.Cc1ccc5cc1.N45 |
1729 | Cn1c(=O)[nH]c(=O)c2[nH]c(NCc3ccccc3)nc21 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][NH1][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][=N][Ring2][Ring1][Ring1] | Cn1c(=O)[nH]c(=O)c2[nH]c5nc21.c16ccccc1.N45.C46 |
1730 | Cn1c(=O)[nH]c(=O)c2c1nc(N)n2Cc1ccccc1 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][Branch1][C][N][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c(=O)[nH]c(=O)c2c1nc(N)n23.c14ccccc1.C34 |
1731 | Cc1cc(C)cc(OCC(=O)Nc2nccs2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][Ring1][P] | Cc1cc5cc(C)c1.c16nccs1.C4C3=O.O45.N36 |
1732 | CSc1nc2n(n1)C(c1ccccc1)CC(C)=N2 | [C][S][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][=N][Ring1][=C] | c13nc2n(n1)C(c1ccccc1)CC(C)=N2.CS3 |
1733 | COC(=O)CCC(=O)Nc1cccc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2] | C2(=O)CCC4=O.c15cccc6c1.C36=O.CO2.N45.O3C |
1734 | Cn1cnnc1SCc1cccc(CSc2nncn2C)n1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=C][C][=C][C][Branch1][O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=N][Ring1][=C] | c15cccc6n1.Cn1cnnc17.c18nncn1C.S37.C35.C46.S48 |
1735 | CCc1ccc(NC(=O)CSc2nncn2C)cc1 | [C][C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=C][Ring1][P] | c16ccc5cc1.c17nncn1C.C3(=O)C4.CC6.N35.S47 |
1736 | CCOc1ccc(NC(=O)CSc2nncn2C)cc1 | [C][C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=C][Ring1][P] | c15ccc7cc1.c18nncn1C.C3(=O)C6.CC4.O45.N37.S68 |
1737 | O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][N][C][C][O][C][C][Ring1][=Branch1] | O=S3(=O)c1ccc2c(c1)OCCCO2.N13CCOCC1 |
1738 | CC(C)CCn1c(=O)c2c(nc3n2CCS3)n(C)c1=O | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][O][N][=C][N][Ring1][Branch1][C][C][S][Ring1][Branch1][N][Branch1][C][C][C][Ring1][=C][=O] | n14c(=O)c2c(nc3n2CCS3)n(C)c1=O.CC(C)CC4 |
1739 | C=CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC | [C][=C][C][Branch1][C][C][S][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] | c15nc2c(c(=O)[nH]c(=O)n2C)n14.C=CC3C.C4CC.S35 |
1740 | CCCc1nnc(NCCc2ccc(C)nc2)s1 | [C][C][C][C][=N][N][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][S][Ring1][#C] | c16ccc(C)nc1.c15nnc4s1.CCC5.C3C6.N34 |
1741 | Cn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C | [C][N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | Cn1c3nc2c1c(=O)[nH]c(=O)n2C.N13CCCCCC1 |
1742 | CCn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C | [C][C][N][C][Branch1][=Branch2][S][C][C][C][Branch1][C][C][C][=N][C][=C][Ring1][O][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.C3CC(C)C.CC4.S35 |
1743 | CC(=O)NCC(O)C1OC2OC(C)(C)OC2C1NC(C)=O | [C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][O][C][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][C][Ring1][#Branch2][N][C][Branch1][C][C][=O] | C17OC2OC(C)(C)OC2C16.C5C7O.CC3=O.C4(C)=O.N35.N46 |
1744 | CC(=O)N1c2ccccc2S(=O)(=O)c2cc(Cl)ccc21 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][P] | N13c2ccccc2S(=O)(=O)c2cc(Cl)ccc21.CC3=O |
1745 | O=C(Cn1nnc2ccccc21)c1ccc(Cl)cc1 | [O][=C][Branch1][#C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | n14nnc2ccccc21.c13ccc(Cl)cc1.O=C3C4 |
1746 | Cc1[nH]nc(O)c1C(c1ccccc1Cl)C(C#N)C#N | [C][C][NH1][N][=C][Branch1][C][O][C][=Ring1][=Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][Ring1][C][#N][C][#N] | Cc1[nH]nc(O)c12.C23C(C#N)C#N.c13ccccc1Cl |
1747 | Cn1c(=O)[nH]c(=O)c2c1nc1n2CC(c2ccc(Cl)cc2)O1 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][N][Ring1][Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N] | Cn1c(=O)[nH]c(=O)c2c1nc1n2CC3O1.c13ccc(Cl)cc1 |
1748 | Cc1[nH]nc(O)c1C(c1ccccc1F)C(C#N)C#N | [C][C][NH1][N][=C][Branch1][C][O][C][=Ring1][=Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][Ring1][C][#N][C][#N] | Cc1[nH]nc(O)c12.C23C(C#N)C#N.c13ccccc1F |
1749 | O=C(COc1ccc(F)cc1)c1ccc(O)cc1O | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] | c14ccc(O)cc1O.c13ccc(F)cc1.O=C4C2.O23 |
1751 | COc1cc2nc(-c3cccs3)oc(=O)c2cc1OC | [C][O][C][=C][C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][C][=Branch1][C][=O][C][=Ring1][N][C][=C][Ring1][S][O][C] | c14cc2nc6oc(=O)c2cc15.c16cccs1.CO4.O5C |
1752 | O=C(COc1ccccc1O)Nc1ccccc1Cl | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c14ccccc1O.c15ccccc1Cl.O=C2C3.O34.N25 |
1753 | O=C(COc1ccccc1O)Nc1ccc(Cl)cc1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccccc1O.c15ccc(Cl)cc1.O=C2C3.O34.N25 |
1754 | Cc1[nH]nc(O)c1C(c1ccccc1)C(C#N)C#N | [C][C][NH1][N][=C][Branch1][C][O][C][=Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][C][#N] | Cc1[nH]nc(O)c12.C23C(C#N)C#N.c13ccccc1 |
1755 | COc1cc(C(C)=O)ccc1OC(=O)c1ccco1 | [C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c13cc6ccc14.c15ccco1.C6(C)=O.C25=O.CO3.O24 |
1757 | CCOC(=O)c1ccccc1NC(=O)c1cccs1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c17ccccc15.c16cccs1.C27=O.C36=O.CC4.O24.N35 |
1758 | CNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 | [C][N][C][=Branch1][C][=O][C][=C][C][C][Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][S][Ring1][#C] | c15cc2c(C)nn6c2s1.c16ccccc1.C45=O.CN4 |
1759 | O=C(NCC1CCCO1)c1sc2ccccc2c1Cl | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl] | c15sc2ccccc2c1Cl.C16CCCO1.O=C35.N34.C46 |
1760 | CNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl | [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][C][=C][C][=C][Ring1][=Branch1][Cl] | c13nc2c(c(=O)[nH]c(=O)n2C)n14.c15ccccc1Cl.CN3.C45 |
1761 | COc1ccc(NC(=O)CSc2ccccn2)cc1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | c14ccc6cc1.c17ccccn1.C3(=O)C5.CO4.N36.S57 |
1762 | COc1ccccc1C(=O)Nc1ccc([S+](N)[O-])cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][S+1][Branch1][C][N][O-1][C][=C][Ring1][=Branch2] | c14ccc([S+](N)[O-])cc1.c13ccccc15.C25=O.CO3.N24 |
1763 | COC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)c(O)c(OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | C2(=O)C1=C(C)NC(=O)NC14.c14cc3c(O)c(Cl)c1.CO2.O3C |
1764 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(F)cc1 | [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][Branch1][C][F][C][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(=O)NC14.c14ccc(F)cc1.CC3.O23 |
1765 | O=C(Cn1c(=O)sc2ccccc21)OC1CCCC1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][C][C][C][C][Ring1][Branch1] | n15c(=O)sc2ccccc21.C14CCCC1.O=C3C5.O34 |
1766 | CCc1ccc(NC(=O)CSc2ncccn2)cc1 | [C][C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | c16ccc5cc1.c17ncccn1.C3(=O)C4.CC6.N35.S47 |
1767 | Cc1cc(C)cc(NC(=O)CSc2ncccn2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1cc5cc(C)c1.c16ncccn1.C3(=O)C4.N35.S46 |
1769 | COc1cc(OC)nc(Oc2ccc(NC(C)=O)cc2)n1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch2][Ring1][C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring1] | c14cc5nc6n1.c17ccc8cc1.C3(C)=O.CO4.O5C.O67.N38 |
1770 | Cn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C | [C][N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | Cn1c4nc2c1c(=O)[nH]c(=O)n2C.c15ccccc1.N34.C35 |
1771 | CC(C)c1ccccc1OCC(=O)Nc1nccs1 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | c16ccccc14.c15nccs1.C3C2=O.CC6C.O34.N25 |
1772 | CCOC(=O)C1=C(N)C(=O)N(Cc2ccccc2)C1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | C3(=O)C1=C(N)C(=O)N5C1.c16ccccc1.CC4.O34.C56 |
1773 | COC(=O)C1=C(C)NC(=O)NC1c1ccccc1OC | [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][O][C] | C2(=O)C1=C(C)NC(=O)NC14.c14ccccc13.CO2.O3C |
1774 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | C2(=O)C1=C(C)NC(=O)NC14.c14ccc3cc1.CO2.O3C |
1775 | CCOC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=C][Ring1][P] | c18ccc7cc1.c19nncn1C.C4(=O)C6.C38=O.CC5.O35.N47.S69 |
1776 | Cc1cc(C)cc(NC(=O)CSc2nccn2C)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][=C][Ring2][Ring1][C] | Cc1cc5cc(C)c1.c16nccn1C.C3(=O)C4.N35.S46 |
1777 | CCOc1ccc(NC(=O)CSc2nccn2C)cc1 | [C][C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][Ring1][P] | c15ccc7cc1.c18nccn1C.C3(=O)C6.CC4.O45.N37.S68 |
1778 | Cc1nc(C2CC(=O)OC23CCOC(C)(C)C3)cs1 | [C][C][=N][C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][=C][S][Ring2][Ring1][C] | C14CC(=O)OC12CCOC(C)(C)C2.Cc1nc4cs1 |
1779 | Cc1cc(C)c(NC(=O)C(C)Sc2nnnn2C)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1cc(C)c5c(C)c1.c16nnnn1C.C3(=O)C4C.N35.S46 |
1780 | Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2CC(N)=O | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][N][Ring1][N][C][C][Branch1][C][N][=O] | Cn1c(=O)[nH]c(=O)c2c1nc3n24.N13CCCCCC1.C4C(N)=O |
1781 | Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2CCO | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][N][Ring1][N][C][C][O] | Cn1c(=O)[nH]c(=O)c2c1nc3n24.N13CCCCCC1.C4CO |
1783 | CC(C)(C)NC(=O)C1CCCN1C(=O)OC(C)(C)C | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] | C17CCCN14.CC6(C)C.C5(C)(C)C.C37=O.C24=O.N36.O25 |
1786 | Fc1cccc2ncnc(OCc3ccccc3)c12 | [F][C][=C][C][=C][C][=N][C][=N][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][Ring1][=C] | Fc1cccc2ncnc5c12.c16ccccc1.O45.C46 |
1787 | NC(=O)c1c(-c2ccccc2)oc2ccc(O)cc12 | [N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][S][Ring1][#Branch1] | c13c4oc2ccc(O)cc12.c14ccccc1.NC3=O |
1789 | CC(=O)c1cnc2cc(-c3ccc(Cl)cc3)nn2c1C | [C][C][=Branch1][C][=O][C][C][=N][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][N][C][=Ring1][S][C] | c14cnc2cc5nn2c1C.c15ccc(Cl)cc1.CC4=O |
1790 | Nc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 | [N][C][=C][C][=C][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][Ring1][P][=C][Ring2][Ring1][Branch1] | Nc1ccc2nc7sc2c1.c16ccc(F)cc1.C5C4=O.S57.N46 |
1791 | O=C(CSc1nc2ccccc2[nH]1)c1ccc(O)cc1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c15nc2ccccc2[nH]1.c14ccc(O)cc1.O=C4C3.S35 |
1792 | O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | N15C(=O)c2ccccc2S1(=O)=O.c14ccccc1.O=C3C5.N34 |
1793 | Cn1c(=O)c2c(ncn2CC(=O)c2ccc(Cl)cc2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][Ring2][Ring1][Branch1][=O] | Cn1c(=O)c2c(ncn24)n(C)c1=O.c13ccc(Cl)cc1.C4C3=O |
1794 | CC(=O)OC1(c2ccccn2)COc2ccccc2O1 | [C][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S] | C145COc2ccccc2O1.c15ccccn1.CC3=O.O34 |
1795 | CC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1C | [C][C][=Branch1][C][=O][C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Ring1][S][C] | c15cc4c(=O)oc1C.c16ccccc1.CC5=O.C36=O.N34 |
1796 | CCOC(=O)N1c2ccccc2S(=O)(=O)c2ccccc21 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | N14c2ccccc2S(=O)(=O)c2ccccc21.C34=O.CC5.O35 |
1799 | COc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c15ccc6cc1.c17ccc(F)cc1.C4C3=O.CO5.O46.N37 |
1800 | COc1ccc(OCC(=O)Nc2cccc(F)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c15ccc6cc1.c17cccc(F)c1.C4C3=O.CO5.O46.N37 |
1801 | CCN1C(=O)c2cccc3c(NC(C)=O)ccc1c23 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][C][Ring1][S][=C][Ring1][=C][Ring1][#Branch2] | CCN1C(=O)c2cccc3c5ccc1c23.C4(C)=O.N45 |
1802 | CCOC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][C][Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][S][Ring1][#C] | c16cc2c(C)nn7c2s1.c17ccccc1.C46=O.CC5.O45 |
1803 | COc1ccccc1C(c1c(O)n[nH]c1C)C(C#N)C#N | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][C][Branch1][C][O][=N][NH1][C][=Ring1][=Branch1][C][C][Branch1][Ring1][C][#N][C][#N] | c12ccccc13.C34C(C#N)C#N.c14c(O)n[nH]c1C.CO2 |
1804 | Cc1oc(=O)c(NC(=O)c2ccccc2)cc1C(C)O | [C][C][O][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring1][S][C][Branch1][C][C][O] | Cc1oc(=O)c4cc16.c15ccccc1.C35=O.C6(C)O.N34 |
1805 | COc1ccc(NC(=O)COc2ccccc2O)cc1 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][C] | c15ccc7cc1.c16ccccc1O.C3(=O)C4.CO5.N37.O46 |
1806 | CCOC(=O)N(c1ccccc1)S(=O)(=O)c1ccccc1 | [C][C][O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S5(=O)(=O)c1ccccc1.c16ccccc1.C23=O.N356.CC4.O24 |
1807 | Cc1ccc(N2CCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][N][C][Ring1][Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][Branch1] | N14CCn2c1nc1c2c(=O)[nH]c(=O)n1C.Cc1ccc4cc1 |
1808 | Cn1c(=O)[nH]c(=O)c2c1nc1n2CC(O)CN1c1ccccc1 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][N][Ring1][Branch1][C][C][Branch1][C][O][C][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c(=O)[nH]c(=O)c2c1nc1n2CC(O)CN13.c13ccccc1 |
1809 | Cn1c(=O)[nH]c(=O)c2c1nc(SCc1ccccc1)n2CC(N)=O | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C][C][Branch1][C][N][=O] | Cn1c(=O)[nH]c(=O)c2c1nc6n24.c15ccccc1.C4C(N)=O.S36.C35 |
1810 | CCOC(=O)C1=C(C)NC(=O)CC1c1ccc(Cl)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(=O)CC14.c14ccc(Cl)cc1.CC3.O23 |
1811 | CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1 | [C][N][Branch1][C][C][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][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13nc2c(c(=O)[nH]c(=O)n2C)n14.c15ccc(Cl)cc1.CN3C.C45 |
1812 | CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1 | [C][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][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14nc2c(c(=O)[nH]c(=O)n2C)n15.c16ccc(Cl)cc1.CC3.N34.C56 |
1815 | CCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c6nc2c1c(=O)[nH]c(=O)n2C.c15ccccc1.CC4.S36.C35 |
1816 | Cc1cc(C)n2nc(Cc3nc4nc(C)cc(C)n4n3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch2][Ring1][Branch1][C][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O][N][=C][Ring1][P][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n2nc5nc2n1.c16nc2nc(C)cc(C)n2n1.C56 |
1817 | CC(=O)Oc1ccc2oc(C)c(C(=O)OC(C)C)c2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][O][C][Branch1][C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Ring1][N][=C][Ring1][S] | c16ccc2oc(C)c7c2c1.CC3=O.C47=O.C5(C)C.O36.O45 |
1818 | CCOC(=O)C(C)Oc1ccc2c(C)cc(=O)oc2c1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N] | c16ccc2c(C)cc(=O)oc2c1.C3(=O)C5C.CC4.O34.O56 |
1819 | CCOC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][Ring1][P] | c18ccc7cc1.c19nccn1C.C4(=O)C6.C38=O.CC5.O35.N47.S69 |
1820 | CCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15c4nc2c1c(=O)[nH]c(=O)n2C.c16ccccc1.CC5.N34.C36 |
1821 | Cn1c(=O)[nH]c(=O)c2c1nc(N)n2CCCc1ccccc1 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][Branch1][C][N][N][Ring1][=Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c(=O)[nH]c(=O)c2c1nc(N)n23.c14ccccc1.C3CC4 |
1822 | Cc1ccc(S(=O)(=O)Nc2c(C)cc(N)cc2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][N][C][=C][Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S3(=O)=O)cc1.c14c(C)cc(N)cc1C.N34 |
1823 | COC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1OC | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | C2(=O)C1=C(C)N(C)C(=O)NC14.c14ccccc13.CO2.O3C |
1824 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1OC | [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][O][C] | C2(=O)C1=C(C)NC(=O)NC15.c15ccccc14.CC3.O23.O4C |
1825 | CCN(CC)c1nc(N2CCOCC2)nc(N2CCOCC2)n1 | [C][C][N][Branch1][Ring1][C][C][C][=N][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] | c15nc6nc7n1.N16CCOCC1.N17CCOCC1.N345.CC3.C4C |
1826 | O=c1oc2cc(O)ccc2cc1-c1nc2ccccc2[nH]1 | [O][=C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | O=c1oc2cc(O)ccc2cc13.c13nc2ccccc2[nH]1 |
1827 | Cc1nn(-c2ccccc2)c2sc(C(=O)n3cccn3)cc12 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=N][Ring1][Branch1][=C][C][Ring2][Ring1][Branch1][=Ring1][N] | Cc1nn5c2sc4cc12.C4(=O)n1cccn1.c15ccccc1 |
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