ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1934732 | FC(F)(F)COc1ccc(NCc2c[nH]nc2-c2ccccc2)cn1 | [F][C][Branch1][C][F][Branch1][C][F][C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][Ring1] | c14ccc6cn1.c17c[nH]nc18.c18ccccc1.FC(F)(F)C3.O34.N56.C57 |
1934733 | COCc1ccccc1NCc1cnn(Cc2ccccc2)c1 | [C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N] | c17ccccc15.c18cnn6c1.c19ccccc1.CO3.C37.N45.C48.C69 |
1934734 | FC(F)(F)COc1ccc(NCc2ccc(-n3cccn3)cc2)cn1 | [F][C][Branch1][C][F][Branch1][C][F][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][=N][Ring2][Ring1][Ring1] | c15ccc7cn1.c18ccc9cc1.FC(F)(F)C4.n19cccn1.O45.N67.C68 |
1934736 | O=C(NCCNC(=O)C1CCCCO1)c1cccnc1 | [O][=C][Branch1][P][N][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][O][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | C16CCCCO1.c17cccnc1.O=C27.C4C5.C36=O.N24.N35 |
1934737 | CC(=O)NC1CCCN(C(=O)NCCCn2nc(C)cc2C)C1 | [C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | C17CCCN4C1.n18nc(C)cc1C.C6CC8.CC3=O.C45=O.N37.N56 |
1934738 | Cc1cc(C)n(CCCNC(=O)N2CCCC(CO)C2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring1][C][O][C][Ring1][Branch2][N][=Ring2][Ring1][Ring2] | Cc1cc(C)n6n1.N14CCCC7C1.C6CC5.C34=O.N35.C7O |
1934739 | CC(C)(CNC(=O)N(CC1CCOC1)C1CC1)N1CCOCC1 | [C][C][Branch1][C][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][O][C][Ring1][Branch1][C][C][C][Ring1][Ring1][N][C][C][O][C][C][Ring1][=Branch1] | N14CCOCC1.CC4(C)C5.C18CCOC1.C23=O.N367.C17CC1.N25.C68 |
1934740 | FC(F)(F)COc1ccc(NCc2ccc3c(c2)CCO3)cn1 | [F][C][Branch1][C][F][Branch1][C][F][C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=N][Ring1][P] | c18ccc2c(c1)CCO2.c15ccc7cn1.FC(F)(F)C4.O45.N67.C68 |
1934741 | NC(=O)c1cccc(NC(=O)NC(CO)Cc2ccccc2)c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c17cccc6c1.c18ccccc1.C5(C8)CO.NC7=O.C34=O.N36.N45 |
1934743 | O=C(Nc1ccncc1)NC1C2CC3CC(C2)CC1C3 | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1] | C17C2CC3CC(C2)CC1C3.c16ccncc1.O=C45.N46.N57 |
1934744 | CC(=O)c1cc(C(=O)NCCC(=O)NC2CCCCC2)[nH]n1 | [C][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][NH1][N][=Ring2][Ring1][Ring1] | c17cc8[nH]n1.C16CCCCC1.C5CC4=O.CC7=O.C38=O.N35.N46 |
1934745 | O=C(c1cc2ncccn2n1)N(CCC1=CCCCC1)CC1CC1 | [O][=C][Branch1][=C][C][C][=C][N][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][N][Branch1][O][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][C][C][C][Ring1][Ring1] | c16cc2ncccn2n1.C4CC1=CCCCC1.O=C36.N345.C17CC1.C57 |
1934746 | CCCCN(Cc1ccsc1)C(=O)Nc1cccn2nc(C)nc12 | [C][C][C][C][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][N][=C][Branch1][C][C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c17cccn2nc(C)nc12.c18ccsc1.CCCC5.N356.C34=O.C68.N47 |
1934747 | Fc1cccc(-n2cc(CN3CC(c4nc5ccccc5[nH]4)C3)cn2)c1 | [F][C][=C][C][=C][C][Branch2][Ring2][C][N][C][=C][Branch2][Ring1][#Branch1][C][N][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Ring1][=N][C][=N][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2] | c19nc2ccccc2[nH]1.Fc1cccc8c1.n18cc7cn1.N16CC9C1.C67 |
1934750 | O=C(c1ccc(-c2cccc3cnccc23)nc1)N1CCCC1 | [O][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][=C][Ring1][S][N][C][C][C][C][Ring1][Branch1] | c16cccc2cnccc12.c15ccc6nc1.N14CCCC1.O=C45 |
1934752 | O=C(NCCO)c1nn(-c2ccccc2)c2c1CCCCC2 | [O][=C][Branch1][Branch1][N][C][C][O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][C][C][C][C][Ring1][#Branch1] | c15nn6c2c1CCCCC2.c16ccccc1.O=C35.C4CO.N34 |
1934753 | O=C(NCCO)c1cc2ccccc2n1Cc1ccccc1F | [O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15cc2ccccc2n16.c17ccccc1F.O=C35.C4CO.N34.C67 |
1934754 | O=C(NCCO)c1cc2ccccc2n1Cc1ccccc1 | [O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cc2ccccc2n16.c17ccccc1.O=C35.C4CO.N34.C67 |
1934755 | CN(CCNC(=O)CN1CCCS1(=O)=O)c1ccccc1 | [C][N][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | N15CCCS1(=O)=O.c16ccccc1.C2(=O)C5.CN36.C3C4.N24 |
1934756 | Cc1ccc(CCCC(=O)Nc2ncc(C(N)=O)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | Cc1ccc6cc1.C6CCC3=O.c14ncc5s1.C5(N)=O.N34 |
1934757 | NC(=O)c1cnc(NC(=O)CCCc2ccc(Cl)cc2)s1 | [N][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring2][Ring1][C] | c16ccc(Cl)cc1.c15cnc4s1.C3(=O)CCC6.NC5=O.N34 |
1934759 | O=C(NCCCC1CCCC1)c1ccccc1-n1cccn1 | [O][=C][Branch1][N][N][C][C][C][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1] | c14ccccc16.C15CCCC1.n16cccn1.C3CC5.O=C24.N23 |
1934760 | CC(C)CCN(C(=O)C1(C)CC1(Cl)Cl)C1CC1 | [C][C][Branch1][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][Ring2][Branch1][C][Cl][Cl][C][C][C][Ring1][Ring1] | C15(C)CC1(Cl)Cl.CC(C)CC3.N234.C25=O.C14CC1 |
1934761 | CC(c1ccco1)N(C)C(=O)c1ccc(Oc2ccccc2)nc1 | [C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N] | c17ccc4nc1.c15ccccc1.c18ccco1.CC68.N36C.C37=O.O45 |
1934762 | O=C(NCCCO)c1cc2ccccc2n1Cc1ccccc1F | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15cc2ccccc2n16.c17ccccc1F.C4CCO.O=C35.N34.C67 |
1934763 | O=C(NCCCO)c1cc2ccccc2n1Cc1ccccc1 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cc2ccccc2n16.c17ccccc1.C4CCO.O=C35.N34.C67 |
1934764 | O=C(NCCCO)c1nn(-c2ccccc2)c2c1CCCCC2 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][C][C][C][C][Ring1][#Branch1] | c15nn6c2c1CCCCC2.c16ccccc1.C4CCO.O=C35.N34 |
1934765 | CCN(CCO)C(=O)c1cc2ccccc2n1Cc1ccccc1F | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16cc2ccccc2n17.c18ccccc1F.N345.C5CO.C36=O.CC4.C78 |
1934766 | CCN(CCO)C(=O)c1cc2ccccc2n1Cc1ccccc1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cc2ccccc2n17.c18ccccc1.N345.C5CO.C36=O.CC4.C78 |
1934767 | CCN(CCO)C(=O)c1nn(-c2ccccc2)c2c1CCCCC2 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][C][C][C][C][Ring1][#Branch1] | c16nn7c2c1CCCCC2.c17ccccc1.N345.C5CO.C36=O.CC4 |
1934768 | CC(O)CNC(=O)c1cc2ccccc2n1Cc1ccccc1F | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15cc2ccccc2n16.c17ccccc1F.CC(O)C4.C35=O.N34.C67 |
1934769 | CC(O)CNC(=O)c1cc2ccccc2n1Cc1ccccc1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cc2ccccc2n16.c17ccccc1.CC(O)C4.C35=O.N34.C67 |
1934770 | CC(O)CNC(=O)c1nn(-c2ccccc2)c2c1CCCCC2 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][C][C][C][C][Ring1][#Branch1] | c15nn6c2c1CCCCC2.c16ccccc1.CC(O)C4.C35=O.N34 |
1934771 | CC(CO)NC(=O)c1cc2ccccc2n1Cc1ccccc1F | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15cc2ccccc2n16.c17ccccc1F.CC4CO.C35=O.N34.C67 |
1934772 | CC(CO)NC(=O)c1cc2ccccc2n1Cc1ccccc1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cc2ccccc2n16.c17ccccc1.CC4CO.C35=O.N34.C67 |
1934773 | CC(CO)NC(=O)c1nn(-c2ccccc2)c2c1CCCCC2 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][C][C][C][C][Ring1][#Branch1] | c15nn6c2c1CCCCC2.c16ccccc1.CC4CO.C35=O.N34 |
1934774 | O=C(NCCNC(=O)c1ccccc1-n1cccn1)c1cccnc1 | [O][=C][Branch2][Ring1][Branch2][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17ccccc18.c16cccnc1.n18cccn1.O=C26.C4C5.C37=O.N24.N35 |
1934776 | CCNC(=O)c1ccc(CNC(=O)CN2CCCCC2=O)cc1 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][C] | c17ccc9cc1.N18CCCCC1=O.C4(=O)C8.C37=O.CC5.N35.C69.N46 |
1934778 | CCC(CC)C(=O)N1CCC(CC(=O)N2CCCC2)CC1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C] | CCC(CC)C3=O.N13CCC5CC1.N14CCCC1.C5C4=O |
1934779 | Cc1cc(C(=O)Nc2ccc3ncccc3c2)c2cnn(C(C)C)c2n1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][=Branch2] | Cc1cc6c2cnn7c2n1.c15ccc2ncccc2c1.C46=O.C7(C)C.N45 |
1934781 | COCc1ccc(C(=O)NC2CC(C)(C)Cc3oc(C)cc32)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][O][C][Branch1][C][C][=C][C][=Ring1][=Branch1][Ring1][N][O][Ring2][Ring1][Ring2] | N4C1CC(C)(C)Cc2oc(C)cc21.c17ccc6o1.C46=O.CO5.C57 |
1934783 | Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C1CC1(Cl)Cl | [C][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl] | Cc1ccc8cc15.C17CC1(Cl)Cl.C38=O.C16CC1.C47=O.N36.N45 |
1934784 | Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCc3ccccc32)[nH]n1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][NH1][N][=Ring1][P] | N14CCCc2ccccc21.Cc1nn(C)c(C)c16.c16cc5[nH]n1.C45=O |
1934785 | Cc1ccc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)c(Cl)c1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][Branch1][#C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][=N][NH1][Ring1][=N][C][Branch1][C][Cl][=C][Ring2][Ring1][#Branch1] | Cc1ccc5c(Cl)c1.c17c(C)nn(C)c1C.c16cc7n[nH]1.C46=O.N45 |
1934786 | Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(F)cc2F)[nH]n1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][NH1][N][=Ring1][S] | Cc1nn(C)c(C)c16.c14ccc(F)cc1F.c16cc5[nH]n1.C35=O.N34 |
1934787 | COC(=O)C1CCN(C(=O)c2cc(C)n(-c3nccs3)c2C)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][=Ring1][O][C][C][C][Ring2][Ring1][Ring2] | c17cc(C)n8c1C.C16CCN5CC1.c18nccs1.C46=O.C57=O.CO4 |
1934788 | CCOc1ccc(NC(=O)c2cc(-c3cccs3)n[nH]2)cc1OC | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][NH1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | c16ccc8cc17.c19cc%10n[nH]1.c1%10cccs1.C49=O.CC5.O56.N48.O7C |
1934789 | Cc1ccc(NC(=O)CCc2ccncc2)cc1S(=O)(=O)N(C)C | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C] | Cc1ccc5cc1S4(=O)=O.c16ccncc1.C3(=O)CC6.N4(C)C.N35 |
1934790 | O=C(NCc1cn2c(n1)SCC2)c1ccn2nnnc2c1 | [O][=C][Branch1][P][N][C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][S][C][C][Ring1][=Branch1][C][C][=C][N][N][=N][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] | c15ccn2nnnc2c1.c16cn2c(n1)SCC2.O=C35.N34.C46 |
1934792 | CCn1cc(CN(CCOC)C(=O)c2ccc3oc(C)cc3c2)cn1 | [C][C][N][C][=C][Branch2][Ring1][=N][C][N][Branch1][Branch1][C][C][O][C][C][=Branch1][C][=O][C][=C][C][=C][O][C][Branch1][C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=N][Ring2][Ring1][#Branch1] | c18ccc2oc(C)cc2c1.n19cc%10cn1.N467.C7C5.C48=O.CC9.C6%10.O5C |
1934793 | CN(Cc1ccc2nonc2c1)C(=O)C1CCCCO1 | [C][N][Branch1][#C][C][C][C][=C][C][=N][O][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][C][C][C][C][C][O][Ring1][=Branch1] | c16ccc2nonc2c1.C15CCCCO1.CN34.C35=O.C46 |
1934795 | COCCN(Cc1ccc(C)s1)C(=O)c1cnc2c(c1)CCCC2 | [C][O][C][C][N][Branch1][N][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1] | c17cnc2c(c1)CCCC2.c18ccc(C)s1.C4C5.N356.C37=O.CO4.C68 |
1934796 | CC(C)c1ccc(C(=O)N2CCCCCC2c2ccco2)c(=O)[nH]1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch1] | c15ccc4c(=O)[nH]1.N13CCCCCC16.c16ccco1.CC5C.C34=O |
1934797 | O=C(NCc1coc(-c2cccs2)n1)NC(CO)c1ccccc1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][=C][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17coc9n1.c18ccccc1.c19cccs1.C68CO.O=C34.N35.C57.N46 |
1934798 | Cc1cc(CNC(=O)NC(CO)c2ccccc2)ccc1F | [C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring2][F] | Cc1cc7ccc1F.c18ccccc1.C68CO.C34=O.C57.N35.N46 |
1934799 | Cc1cc(CNC(=O)N(CCO)Cc2ccccc2)ccc1F | [C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Branch1][F] | Cc1cc8ccc1F.c19ccccc1.C34=O.N467.C6CO.C58.N35.C79 |
1934800 | O=C(NCC1CC1)N1CCN(C(=O)C2CCCC2)CC1 | [O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N] | N14CCN5CC1.C17CCCC1.O=C34.C18CC1.C57=O.N36.C68 |
1934801 | CC(C)C(CNC(=O)N(CC1CCOC1)C1CC1)N1CCOCC1 | [C][C][Branch1][C][C][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][O][C][Ring1][Branch1][C][C][C][Ring1][Ring1][N][C][C][O][C][C][Ring1][=Branch1] | CC(C)C4C5.N14CCOCC1.C18CCOC1.C23=O.N367.C17CC1.N25.C68 |
1934802 | COC(=O)c1ccc(F)c(NC(=O)NC(CO)Cc2ccccc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | c18ccc(F)c7c1.c19ccccc1.C6(C9)CO.C38=O.C45=O.CO3.N47.N56 |
1934803 | COC(=O)c1cccc(NC(=O)NC(CO)Cc2ccccc2)c1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][C] | c18cccc7c1C.c19ccccc1.C6(C9)CO.C38=O.C45=O.CO3.N47.N56 |
1934804 | NC(=O)c1ccc(NC(=O)NC(CO)Cc2ccccc2)cc1Cl | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][Cl] | c17ccc6cc1Cl.c18ccccc1.C5(C8)CO.NC7=O.C34=O.N36.N45 |
1934805 | COc1cc(F)ccc1NC(=O)NC(CO)Cc1ccccc1 | [C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cc(F)ccc16.c17ccccc1.C5(C7)CO.C23=O.CO4.N26.N35 |
1934806 | CSc1ccccc1NC(=O)NC(CO)Cc1ccccc1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccccc15.c16ccccc1.C4(C6)CO.C23=O.CS7.N25.N34 |
1934807 | CCOc1cc(-c2ccccc2)sc1C(=O)NCCO | [C][C][O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][O] | c15cc8sc17.c18ccccc1.C37=O.C6CO.CC4.O45.N36 |
1934808 | O=C(NCCO)c1cccc(NC(=O)C2Cc3ccccc3O2)c1 | [O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring2][Ring1][C] | C18Cc2ccccc2O1.c19cccc7c1.O=C49.C6CO.C58=O.N46.N57 |
1934809 | CC(C)N(C)C(=O)c1cccc(NC(=O)C2Cc3ccccc3O2)c1 | [C][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring2][Ring1][C] | C18Cc2ccccc2O1.c19cccc7c1.CC6C.N46C.C49=O.C58=O.N57 |
1934810 | CCOc1cc(-c2ccccc2)sc1C(=O)NCCCO | [C][C][O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][C][O] | c15cc8sc17.c18ccccc1.C6CCO.C37=O.CC4.O45.N36 |
1934811 | O=C(NCCCO)c1cccc(NC(=O)C2Cc3ccccc3O2)c1 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring2][Ring1][C] | C18Cc2ccccc2O1.c19cccc7c1.C6CCO.O=C49.C58=O.N46.N57 |
1934812 | CCOc1cc(-c2ccccc2)sc1C(=O)N(CC)CCO | [C][C][O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][O] | c15cc9sc18.c19ccccc1.C38=O.N367.C7CO.CC4.O45.C6C |
1934813 | CCOc1cc(-c2ccccc2)sc1C(=O)NCC(C)O | [C][C][O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O] | c15cc8sc17.c18ccccc1.C6C(C)O.C37=O.CC4.O45.N36 |
1934814 | CC(O)CNC(=O)c1cccc(NC(=O)C2Cc3ccccc3O2)c1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring2][Ring1][C] | C18Cc2ccccc2O1.c19cccc7c1.CC(O)C6.C49=O.C58=O.N46.N57 |
1934815 | CCOc1cc(-c2ccccc2)sc1C(=O)NC(C)CO | [C][C][O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O] | c15cc8sc17.c18ccccc1.C6(C)CO.C37=O.CC4.O45.N36 |
1934816 | CC(CO)NC(=O)c1cccc(NC(=O)C2Cc3ccccc3O2)c1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring2][Ring1][C] | C18Cc2ccccc2O1.c19cccc7c1.CC6CO.C49=O.C58=O.N46.N57 |
1934817 | O=C(CN1CCCCC1=O)NC(c1ccccc1)C(F)(F)F | [O][=C][Branch1][O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | N14CCCCC1=O.C35C(F)(F)F.c15ccccc1.O=C2C4.N23 |
1934818 | CCc1c(C(=O)NCc2ccc(C)s2)cnn1Cc1ccccc1 | [C][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][=N][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17c5cnn16.c18ccc(C)s1.c19ccccc1.C35=O.CC7.N34.C48.C69 |
1934819 | COCc1ccc(C(=O)NC(C)c2ccc3c(c2)CCC(=O)N3)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][O][Ring2][Ring1][Branch1] | c19ccc2c(c1)CCC(=O)N2.c18ccc7o1.C47=O.C69C.CO5.C58.N46 |
1934820 | CC(NC(=O)CN1CCCCC1=O)c1ccc2c(c1)CCC(=O)N2 | [C][C][Branch1][S][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2] | c16ccc2c(c1)CCC(=O)N2.N15CCCCC1=O.C3(=O)C5.CC46.N34 |
1934821 | O=C1CC(C(=O)NCCc2ccc3c(c2)OCO3)C2(CCCC2)O1 | [O][=C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][Ring2][Ring1][#Branch1] | O=C1CC6C2(CCCC2)O1.c17ccc2c(c1)OCO2.C46=O.C5C7.N45 |
1934822 | C=CCOc1cccc(NC(=O)N2CCCCCC2CO)c1 | [C][=C][C][O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][O][=C][Ring2][Ring1][C] | N14CCCCCC18.c16cccc7c1.C=CC5.C34=O.O56.N37.C8O |
1934825 | O=C(c1c[nH]nc1C1CCCCC1)N(CCO)Cc1ccccc1F | [O][=C][Branch1][S][C][=C][NH1][N][=C][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16ccccc1F.c15c[nH]nc17.C17CCCCC1.O=C25.N234.C3CO.C46 |
1934827 | COCc1ccc(C(=O)Oc2cccc(NC(=O)C3CC3)c2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][N][O][Ring2][Ring1][Ring2] | c17cccc8c1.c1%11ccc9o1.C49=O.C5%10=O.C1%10CC1.CO6.C6%11.O47.N58 |
1934828 | CCCOc1ccc(CNC(=O)CN2CCCCC2=O)cc1 | [C][C][C][O][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][C] | c15ccc8cc1.N17CCCCC1=O.C3(=O)C7.CCC4.O45.C68.N36 |
1934829 | CC(CNC(=O)N(CC1CCOC1)C1CC1)N1CCOCC1 | [C][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][O][C][Ring1][Branch1][C][C][C][Ring1][Ring1][N][C][C][O][C][C][Ring1][=Branch1] | N14CCOCC1.C18CCOC1.CC4C5.C23=O.N367.C17CC1.N25.C68 |
1934830 | O=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)Nc1cn[nH]c1 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][=N][NH1][C][=Ring1][Branch1] | c18ccc(Cl)c(Cl)c1.c17cn[nH]c1.O=C23.C5C6.C48=O.N25.N46.N37 |
1934832 | CC(=O)NC1CCCN(C(=O)C2CC2(Cl)Cl)C1 | [C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][Ring1][=N] | C15CCCN4C1.C16CC1(Cl)Cl.CC3=O.C46=O.N35 |
1934834 | COc1ccc(OC)c(CC(=O)N2CCOC3CCCCC32)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][O][C][C][C][C][C][C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | N14CCOC2CCCCC21.c15ccc6c7c1.C7C4=O.CO5.O6C |
1934835 | O=C(Nc1ccc(OCC2CCCO2)cc1)C1CC1(Cl)Cl | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=N][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl] | c16ccc5cc1.C18CCCO1.C17CC1(Cl)Cl.O=C37.N36.O45.C48 |
1934836 | Cc1cccc(NC(=O)Cn2c(C)csc2=O)c1C(N)=O | [C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][S][C][Ring1][=Branch1][=O][=C][Ring1][P][C][Branch1][C][N][=O] | Cc1cccc4c15.n16c(C)csc1=O.C3(=O)C6.C5(N)=O.N34 |
1934837 | O=C(Cn1cccnc1=O)N1CCCCC1c1cccnc1 | [O][=C][Branch1][O][C][N][C][=C][C][=N][C][Ring1][=Branch1][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | n13cccnc1=O.N12CCCCC14.c14cccnc1.O=C2C3 |
1934838 | OCC1(c2nc(C3CCOCC3)nn2-c2cccc3c2CCC3)CC1 | [O][C][C][Branch2][Ring1][#C][C][=N][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][C][C][Ring2][Ring1][#Branch1] | c15cccc2c1CCC2.c16nc7nn15.C17CCOCC1.C146CC1.OC4 |
1934840 | Cc1cc(C)nc(CN(C)C(=O)c2cnc(-c3cccnc3)nc2)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][N][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][N][=C][Ring2][Ring1][Branch2] | Cc1cc7nc(C)c1.c16cnc8nc1.c18cccnc1.N45C.C46=O.C57 |
1934841 | CCN(CC1CCCO1)C(=O)CCCc1cn[nH]c1 | [C][C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][C][=N][NH1][C][=Ring1][Branch1] | C2(=O)CCC6.C15CCCO1.c16cn[nH]c1.N234.CC3.C45 |
1934842 | Cc1cccc(-c2cncc(C(=O)N3CCCC3)n2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=C][N][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=N][=C][Ring2][Ring1][Ring1] | Cc1cccc6c1.c16cncc5n1.N14CCCC1.C45=O |
1934843 | O=C(c1cccc(-c2ccc(O)cc2)c1)N1CC(c2ccccn2)C1 | [O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring1][=N][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][#Branch2] | c14cccc6c1.c16ccc(O)cc1.c15ccccn1.N13CC5C1.O=C34 |
1934844 | COc1ccc(CN(C)Cc2nc(C)cs2)cc1Cn1cncn1 | [C][O][C][=C][C][=C][Branch1][P][C][N][Branch1][C][C][C][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][=C][Ring1][S][C][N][C][=N][C][=N][Ring1][Branch1] | c13ccc8cc19.c17nc(C)cs1.n16cncn1.N45C.CO3.C48.C57.C69 |
1934846 | CCOCC1CCCN1C(=O)c1ccc(-n2ccnc2)cc1 | [C][C][O][C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O] | c16ccc8cc1.C17CCCN13.n18ccnc1.C36=O.CC4.O45.C57 |
1934847 | COCC(C)C1CCN(C(=O)c2ncoc2C)CC1 | [C][O][C][C][Branch1][C][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][N][=C][O][C][=Ring1][Branch1][C][C][C][Ring1][=C] | C16CCN3CC1.c15ncoc1C.C4C6C.C35=O.CO4 |
1934848 | COCc1ccc(C(=O)Nc2cccc(OCc3cccnc3)c2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=C][O][Ring2][Ring1][=Branch1] | c18cccc7c1.c1%10ccc9o1.c1%11cccnc1.C49=O.CO5.C5%10.N48.O67.C6%11 |
1934849 | COCc1ccc(C(=O)NC(C)c2oc3ccccc3c2C)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][O][Ring2][Ring1][Ring2] | c19oc2ccccc2c1C.c18ccc7o1.C47=O.C69C.CO5.C58.N46 |
1934851 | CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCCCC1=O | [C][N][Branch1][S][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | c15cc(Cl)cc(Cl)c1.N14CCCCC1=O.C2(=O)C4.CN23.C35 |
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