ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
31715 | Cc1ccc(C(=O)Nc2ccc(Cl)cc2F)o1 | [C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][O][Ring1][S] | c14ccc(Cl)cc1F.Cc1ccc5o1.C35=O.N34 |
31716 | CCCC1CCc2c(sc(NC(=O)c3ccco3)c2C(N)=O)C1 | [C][C][C][C][C][C][C][=C][Branch2][Ring1][=Branch2][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=N][C][Branch1][C][N][=O][C][Ring2][Ring1][Ring2] | C18CCc2c(sc5c27)C1.c16ccco1.CCC8.C46=O.C7(N)=O.N45 |
31718 | Cc1occc1C(=O)Nc1ccccc1C(F)(F)F | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c13ccccc15.Cc1occc14.C5(F)(F)F.C24=O.N23 |
31720 | O=C(Nc1ccc(Br)cc1F)C1CC1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][C][C][C][Ring1][Ring1] | c13ccc(Br)cc1F.O=C24.C14CC1.N23 |
31722 | NC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c16ccc(Cl)c(Cl)c1.c17ccc5cc1.NC7=O.C34=O.N35.N46 |
31723 | CC(=O)c1ccccc1OCC(=O)c1ccc(C)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c14ccccc13.c15ccc(C)cc1.C2C5=O.CC4=O.O23 |
31725 | CC(=O)Nc1sc(C)c(C)c1C(=O)OC(C)C | [C][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C] | c15sc(C)c(C)c16.CC3=O.C26=O.C4(C)C.N35.O24 |
31726 | Cc1occc1C(=O)Nc1cccc(Br)c1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c13cccc(Br)c1.Cc1occc14.C24=O.N23 |
31727 | CCS(=O)(=O)Nc1cc(OC)c(Cl)cc1OC | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][Cl][C][=C][Ring1][=Branch2][O][C] | c15cc2c(Cl)cc13.CCS4(=O)=O.N45.O2C.O3C |
31728 | COC(=O)c1c(NC(=O)c2ccncc2)sc(C)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][S][C][Branch1][C][C][=C][Ring1][#C][C] | c16c5sc(C)c1C.c17ccncc1.C36=O.C47=O.CO3.N45 |
31729 | CCC(Oc1ccccc1)C(=O)NCc1ccc(OC)cc1 | [C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c17ccc5cc1.CCC3C2=O.c14ccccc1.O34.N26.C67.O5C |
31730 | CCS(=O)(=O)NCCc1ccc(OC)c(OC)c1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c16ccc2c3c1.CCS5(=O)=O.C4C6.N45.O2C.O3C |
31732 | Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N][O][Ring2][Ring1][Ring2] | N14CCN5CC1.c15ccccc1F.Cc1ccc6o1.C46=O |
31733 | Cc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)N(C)C | [C][C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][C][=Ring1][#C][C][=Branch1][C][=O][N][Branch1][C][C][C] | Cc1nc5sc16.c17cccc(Cl)c1.C37=O.C46=O.N4(C)C.N35 |
31734 | O=C(NCc1ccc(CNC(=O)c2ccco2)cc1)c1ccco1 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | c19ccc%10cc1.c18ccco1.c17ccco1.O=C37.C48=O.N35.C59.C6%10.N46 |
31735 | CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)OCO3)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][C][=Ring1][P][C] | c19ccc2c(c1)OCO2.c18sc7nc1C.C48=O.C59=O.CC6.O46.N57 |
31736 | COC(=O)c1ccc(OCC(=O)c2ccc(F)cc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | c16ccc5cc1.c17ccc(F)cc1.C4C7=O.C36=O.CO3.O45 |
31740 | CCc1c(C)sc(NC(=O)c2ccc(OC)cc2)c1C(=O)OC | [C][C][C][=C][Branch1][C][C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring1][P][C][=Branch1][C][=O][O][C] | c19c(C)sc6c18.c17ccc5cc1.C47=O.C38=O.CC9.N46.O5C.O3C |
31741 | Cc1ccccc1C(=O)N1CCN(c2ncccn2)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | Cc1ccccc15.N13CCN4CC1.c14ncccn1.C35=O |
31742 | Cc1sc(NC(=O)C2CCCO2)nc1-c1ccccc1 | [C][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=N][C][=Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1sc4nc16.c16ccccc1.C15CCCO1.C35=O.N34 |
31744 | Cc1occc1C(=O)N1c2ccc(F)cc2CCC1C | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][O][C] | N13c2ccc(F)cc2CCC1C.Cc1occc14.C34=O |
31745 | COc1cc(C(=O)Nc2ccc(Cl)cc2F)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc8cc5c16.c17ccc(Cl)cc1F.C38=O.CO4.N37.O5C.O6C |
31746 | CCc1c(C)sc(NC(=O)c2cnccn2)c1C(N)=O | [C][C][C][=C][Branch1][C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][Ring1][#C][C][Branch1][C][N][=O] | c17c(C)sc4c16.c15cnccn1.C35=O.C6(N)=O.CC7.N34 |
31747 | COc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N][=C][Ring2][Ring1][Branch1][O][C] | c15cccc8c16.N14CCN7CC1.c17ccccc1F.C48=O.CO5.O6C |
31748 | CS(=O)(=O)NCCC(c1ccccc1)c1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1.c15ccccc1.C2CC45.CS3(=O)=O.N23 |
31750 | CCOC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCCCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][C][C][Ring1][#Branch1] | c18c6sc2c1CCCCC2.c17cnccn1.C38=O.C47=O.CC5.O35.N46 |
31751 | COC(=O)c1sc(NC(=O)c2cccs2)c(C(=O)OC)c1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=Ring1][P][C] | c17sc6c9c1C.c18cccs1.C37=O.C58=O.C49=O.CO3.N56.O4C |
31752 | Cc1cc(C)c(S(=O)(=O)N(C)Cc2cnn(C)c2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1cc(C)c(S4(=O)=O)c(C)c1.c15cnn(C)c1.N34C.C35 |
31753 | O=C(NCC1CCN(C(=O)C2CC2)CC1)C1CC1 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O][C][C][C][Ring1][Ring1] | C18CCN4CC1.O=C36.C47=O.C17CC1.C16CC1.N35.C58 |
31754 | COC(=O)c1sc(NC(=O)c2cccnc2)c(C(=O)OC)c1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=Ring2][Ring1][C][C] | c17sc6c9c1C.c18cccnc1.C37=O.C58=O.C49=O.CO3.N56.O4C |
31755 | O=C(c1ccc2c(c1)OCO2)N1CCN(c2ncccn2)CC1 | [O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | c15ccc2c(c1)OCO2.N13CCN4CC1.c14ncccn1.O=C35 |
31756 | CCS(=O)(=O)Nc1ccccc1NS(=O)(=O)CC | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C] | c14ccccc15.CCS2(=O)=O.S3(=O)(=O)CC.N24.N35 |
31757 | COC(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][=O][C][=C][Ring1][=N] | c16ccc(S5(=O)=O)cc1.C23=O.C4(C)=O.CO2.N36.N45 |
31758 | CCOC(=O)Nc1sc(C)c(C)c1C(=O)OCC | [C][C][O][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][O][C][C] | c17sc(C)c(C)c18.C24=O.C38=O.CC5.O25.N47.O36.C6C |
31759 | COC(=O)c1cc(NC(=O)c2ccoc2C)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1] | c17cc6cc9c1.c18ccoc1C.C37=O.C58=O.C49=O.CO3.N56.O4C |
31760 | O=C(c1ccccc1F)N1CCCC(C(=O)N2CCCC2)C1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][=N] | c16ccccc1F.N13CCCC5C1.N14CCCC1.O=C36.C45=O |
31761 | CCOC(=O)c1c(NC(=O)c2ccncc2)sc(C)c1CC | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][S][C][Branch1][C][C][=C][Ring1][#C][C][C] | c17c6sc(C)c19.c18ccncc1.C37=O.C48=O.CC5.O35.N46.C9C |
31762 | CC(=O)Nc1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Ring1] | c18c(C)cccc1C.c17ccc6cc1.C5C4=O.CC3=O.N37.O56.N48 |
31763 | CCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl] | c13cc4ccc1Cl.CCS2(=O)=O.C4(F)(F)F.N23 |
31764 | CC(C)Oc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][C] | c15ccc7cc1.c16ccccc18.CC4C.C37=O.C8(N)=O.O45.N36 |
31765 | Cc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][O][Ring2][Ring1][C] | c14ccc(S(N)(=O)=O)cc1.Cc1ccc5o1.C35=O.N34 |
31766 | CCSc1nnc(NC(=O)c2ccoc2C)s1 | [C][C][S][C][=N][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][S][Ring1][=C] | c17nnc5s1.c16ccoc1C.C36=O.CC4.S47.N35 |
31767 | CCC(Oc1ccccc1)C(=O)NCc1ccccn1 | [C][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] | CCC3C2=O.c14ccccc1.c16ccccn1.O34.N25.C56 |
31768 | O=S(=O)(NCc1cccs1)c1ccc(F)cc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=S3(=O)c1ccc(F)cc1.c14cccs1.N23.C24 |
31769 | COc1ccc(NC(=O)c2ccoc2C)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][Branch1][Ring1][O][C][=C][Ring1][P] | c14ccc6c5c1.c17ccoc1C.C37=O.CO4.N36.O5C |
31770 | COc1ccc(OC)c(NC(=O)C2CC2c2ccccc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c14ccc5c6c1.c18ccccc1.C17CC18.C37=O.CO4.O5C.N36 |
31773 | Cn1cc(CNC(=O)COc2ccc(Cl)cc2Cl)cn1 | [C][N][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=N][Ring2][Ring1][Ring1] | c15ccc(Cl)cc1Cl.Cn1cc7cn1.C3(=O)C4.C67.N36.O45 |
31774 | O=C(c1ccco1)N1CCN(c2ccc(Cl)cc2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | N13CCN4CC1.c14ccc(Cl)cc1.c15ccco1.O=C35 |
31775 | COc1ccc(CCC(=O)Nc2ccc(C(C)=O)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c14ccc7cc1.c15ccc6cc1.C7CC3=O.C6(C)=O.CO4.N35 |
31776 | NS(=O)(=O)c1ccc(NC(=O)CCC2CCCC2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][S] | NS(=O)(=O)c1ccc4cc1.C3(=O)CC5.C15CCCC1.N34 |
31778 | Cc1onc(-c2ccccc2)c1C(=O)Nc1nncs1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][=N][N][=C][S][Ring1][Branch1] | Cc1onc6c15.c16ccccc1.c14nncs1.C35=O.N34 |
31779 | CC(C)CN(CC(C)C)C(=O)c1cccc(F)c1 | [C][C][Branch1][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15cccc(F)c1.CC(C)C3.C4C(C)C.N234.C25=O |
31781 | CCc1ccc(C(C)NC(=O)c2cc(C)oc2C)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | c16ccc7cc1.c15cc(C)oc1C.C47C.C35=O.CC6.N34 |
31782 | CC1CN(C(=O)C(C)(C)C)C(C)CN1C(=O)C(C)(C)C | [C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][N][Ring1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C] | CC1CN2C(C)CN13.C2(=O)C(C)(C)C.C3(=O)C(C)(C)C |
31783 | COC(=O)c1sccc1NC(=O)c1c(-c2ccccc2)noc1C | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C] | c17c8noc1C.c16sccc15.c18ccccc1.C36=O.C47=O.CO3.N45 |
31784 | COC(=O)c1ccc(OCC(=O)c2cccc(OC)c2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c17ccc5cc1.c18cccc6c1.C4C8=O.C37=O.CO3.O45.O6C |
31786 | Cc1cccc(C(C)C)c1NC(=O)c1cccc(F)c1 | [C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | Cc1cccc5c13.c14cccc(F)c1.C5(C)C.C24=O.N23 |
31787 | O=C(CCCC(=O)NC1CCCC1)NC1CCCC1 | [O][=C][Branch1][S][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][C][C][C][C][C][Ring1][Branch1] | O=C2CCCC3=O.C14CCCC1.C15CCCC1.N34.N25 |
31788 | CCC(C)c1ccc(NC(=O)c2ccncc2)cc1 | [C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c16ccc4cc1.c15ccncc1.CCC6C.C35=O.N34 |
31790 | COc1cc(CO)ccc1OCc1ccccc1F | [C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c13cc5ccc14.c16ccccc1F.CO3.C5O.O24.C26 |
31791 | COC(=O)c1cc(NC(=O)c2ccc(C)o2)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1] | c18cc6cc9c1.c17ccc(C)o1.C38=O.C57=O.C49=O.CO3.N56.O4C |
31792 | Cc1ccc(NC(=O)c2ccncc2)c(NC(=O)c2ccncc2)c1 | [C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch2] | Cc1ccc5c6c1.c17ccncc1.c18ccncc1.C37=O.C48=O.N35.N46 |
31793 | COc1ccccc1OCC(=O)c1ccc(C)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c13ccccc14.c15ccc(C)cc1.C2C5=O.CO3.O24 |
31794 | COC(=O)c1sc(NC(=O)c2ccncc2)c(C(=O)OC)c1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=Ring2][Ring1][C][C] | c17sc6c9c1C.c18ccncc1.C37=O.C58=O.C49=O.CO3.N56.O4C |
31797 | CCN(CC)C(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c18ccc7cc1.c19ccccc1.C4(=O)CC9.N356.C38=O.CC5.C6C.N47 |
31798 | COc1cccc(OC)c1C(=O)n1nc(C)cc1C | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C] | C4(=O)n1nc(C)cc1C.c12cccc3c14.CO2.O3C |
31800 | COc1cc(SC)ccc1C(=O)Nc1ccon1 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][O][N][=Ring1][Branch1] | c13cc6ccc15.c14ccon1.C25=O.CO3.S6C.N24 |
31801 | COC(=O)c1sc(NC(=O)c2ccoc2C)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][=N][C][=Ring1][=C][C] | c16sc5nc1C.c17ccoc1C.C36=O.C47=O.CO3.N45 |
31803 | Cc1occc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c15ccc(S(N)(=O)=O)cc1.Cc1occc14.C24=O.N23.C35 |
31806 | CCOC(=O)c1sc(NC(=O)C2CC2c2ccccc2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][P][C] | c17sc6nc1C.c19ccccc1.C18CC19.C37=O.C48=O.CC5.O35.N46 |
31807 | CC(=O)Nc1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C] | c17cccc6c1.c18ccc(Cl)cc1.C5C4=O.CC3=O.N37.O56.N48 |
31809 | O=C(CCCC(=O)Nc1ccccc1F)Nc1ccccc1F | [O][=C][Branch2][Ring1][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=C2CCCC3=O.c14ccccc1F.c15ccccc1F.N34.N25 |
31810 | CCc1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 | [C][C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][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][=C][Ring2][Ring1][Branch1] | c18cc4c5c6c1.c19cccc7c1.C38=O.CC9.N37.O4C.O5C.O6C |
31812 | COc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c14ccc(S5(=O)=O)cc1.N15CCN6CC1.c16ncccn1.CO4 |
31813 | COC(=O)c1c(NC(=O)CC(C)C)sc(C)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][S][C][Branch1][C][C][=C][Ring1][=N][C] | c15c4sc(C)c1C.C3(=O)CC(C)C.C25=O.CO2.N34 |
31816 | Cc1scc(C(=O)Nc2nnc(-c3cccs3)s2)c1C | [C][C][S][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][#Branch2][C][=Ring2][Ring1][C][C] | Cc1scc6c1C.c15nnc7s1.c17cccs1.C46=O.N45 |
31817 | CC(C)c1ccc(C(=O)NCc2ccccn2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S] | c17ccc5cc1.c16ccccn1.CC7C.C35=O.N34.C46 |
31819 | COC(=O)c1ccc(OCC(=O)c2ccccc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | c16ccc5cc1.c17ccccc1.C4C7=O.C36=O.CO3.O45 |
31820 | O=C(NC(c1ccccc1)c1ccccc1)C1CC1 | [O][=C][Branch2][Ring1][Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1] | c15ccccc1.c16ccccc1.O=C24.C356.C14CC1.N23 |
31821 | CC(=O)Nc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][C] | c17ccc6cc1.c18ccccc1Cl.C5C4=O.CC3=O.N37.O56.N48 |
31822 | Cc1cccc(N2CCN(C(=O)C(C)C)CC2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][O][=C][Ring1][P][C] | Cc1cccc4c1C.N14CCN3CC1.C3(=O)C(C)C |
31823 | Cc1sc(NC(=O)c2cc(Cl)ccc2Cl)c(C(N)=O)c1C | [C][C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][Ring1][C] | Cc1sc4c6c1C.c15cc(Cl)ccc1Cl.C35=O.C6(N)=O.N34 |
31824 | COc1cccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][S][Ring1][O][=C][Ring2][Ring1][Ring2] | c15cccc8c1.c16nc(C)c7s1.C38=O.C47=O.N4(C)C.CO5.N36 |
31826 | COc1ccc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][O][C] | c14ccc7cc15.c18ccc(Cl)c(Cl)c1.C37=O.CO4.N36.C68.O5C |
31827 | Cc1occc1C(=O)Nc1nc(-c2ccc(F)cc2F)cs1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][S][Ring1][=N] | c16ccc(F)cc1F.Cc1occc15.c14nc6cs1.C35=O.N34 |
31828 | Cc1nn(C)cc1CNC(=O)Nc1ccc(Cl)c(Cl)c1 | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][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.Cc1nn(C)cc16.C23=O.C46.N24.N35 |
31829 | CC(C)OC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCCC2 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][C][Ring1][=Branch1] | c18c6sc2c1CCCC2.c17cnccn1.CC5C.C38=O.C47=O.O35.N46 |
31831 | CC(C)CC(=O)N1CC(C)N(C(=O)CC(C)C)CC1C | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][Ring1][=N][C] | N12CC(C)N3CC1C.CC(C)CC2=O.C3(=O)CC(C)C |
31832 | COC(=O)c1sc(NC(=O)c2cccc(C)c2)c(C(=O)OC)c1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=Ring2][Ring1][Ring1][C] | c17sc6c9c1C.c18cccc(C)c1.C37=O.C58=O.C49=O.CO3.N56.O4C |
31834 | Cc1nc(NC(=O)C(C)c2ccccc2)sc1C(=O)N(C)C | [C][C][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][S][C][=Branch1][C][=O][N][Branch1][C][C][C] | Cc1nc5sc16.c17ccccc1.C3(=O)C7C.C46=O.N4(C)C.N35 |
31835 | CCOc1ccc(C(=O)NCc2cccs2)cc1 | [C][C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C] | c15ccc7cc1.c18cccs1.C37=O.CC4.O45.N36.C68 |
31836 | CCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | N13CCN4CC1.c14ccc(Cl)cc1.CCS3(=O)=O |
31837 | CCc1c(C)sc(NC(=O)C(C)(C)C)c1C(=O)OC | [C][C][C][=C][Branch1][C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N][C][=Branch1][C][=O][O][C] | c16c(C)sc4c15.C3(=O)C(C)(C)C.C25=O.CC6.N34.O2C |
31838 | COC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC | [C][O][C][=Branch1][C][=O][N][C][S][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][=Ring1][#Branch2][C][=Branch1][C][=O][O][C] | c16sc7c(C)c18.C25=O.C37=O.C48=O.CO2.N56.O3C.O4C |
31841 | CC(Oc1cccc(Cl)c1)C(=O)Nc1nccs1 | [C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | c14cccc(Cl)c1.CC3C2=O.c15nccs1.O34.N25 |
31842 | Cc1cc(NC(=O)C(C)Oc2cccc(Cl)c2)no1 | [C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][O][Ring2][Ring1][C] | c15cccc(Cl)c1.Cc1cc6no1.C3(=O)C4C.N36.O45 |
31844 | COc1ccccc1C(=O)n1c(C)nc2ccccc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | C4(=O)n1c(C)nc2ccccc21.c13ccccc14.CO3 |
31846 | COc1ccc(CCC(=O)NCc2ccco2)cc1 | [C][O][C][=C][C][=C][Branch1][S][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][P] | c14ccc7cc1.C7CC3=O.c16ccco1.CO4.N35.C56 |
31847 | O=C(Nc1ccon1)c1cc(Br)ccc1Cl | [O][=C][Branch1][=Branch2][N][C][C][=C][O][N][=Ring1][Branch1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Cl] | c14cc(Br)ccc1Cl.c13ccon1.O=C24.N23 |
31848 | CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2C)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][S] | c18ccc7cc1.c19ccccc1C.N356.C38=O.C49=O.CC5.C6C.N47 |
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