ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
680 | COc1cc(C(=O)N(C)Cc2ccccc2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc8cc5c16.c19ccccc1.C38=O.N37C.CO4.C79.O5C.O6C |
682 | CCN(CC)C(=O)C1c2ccccc2Oc2ccccc21 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | C3(=O)C1c2ccccc2Oc2ccccc21.N345.CC4.C5C |
683 | COc1ccc(CNC(=O)N2CCOCC2)cc1 | [C][O][C][=C][C][=C][Branch1][#C][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S] | c15ccc7cc1.N14CCOCC1.C34=O.CO5.C67.N36 |
684 | COc1ccccc1CNC(=O)N1CCOCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c14ccccc16.N13CCOCC1.C23=O.CO4.C56.N25 |
685 | CCC(C)c1ccc(NC(=O)N2CCOCC2)cc1 | [C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c16ccc5cc1.N14CCOCC1.CCC6C.C34=O.N35 |
686 | CCOC(=O)N1CCN(C(=O)N2CCOCC2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C] | N14CCN5CC1.N16CCOCC1.C34=O.C56=O.CC7.O37 |
687 | O=C(N1CCOCC1)N1CCC(Cc2ccccc2)CC1 | [O][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] | N14CCC5CC1.N13CCOCC1.c16ccccc1.O=C34.C56 |
688 | CCOC(=O)C1CCN(C(=O)N2CCOCC2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C] | C17CCN4CC1.N15CCOCC1.C37=O.C45=O.CC6.O36 |
689 | COc1ccc(C)cc1NS(=O)(=O)Cc1ccccc1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12ccc(C)cc14.c15ccccc1.S3(=O)(=O)C5.CO2.N34 |
690 | COc1ccc(C)cc1NC(=O)c1ccc(OC(C)=O)cc1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c14ccc(C)cc16.c17ccc5cc1.C37=O.C2(C)=O.CO4.N36.O25 |
692 | COc1ccc(S(=O)(=O)N=c2ccc(C)c[nH]2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][C][=C][C][Branch1][C][C][=C][NH1][Ring1][#Branch1][C][=C][Ring1][P] | c13ccc(S(=O)(=O)N=c2ccc(C)c[nH]2)cc1.CO3 |
693 | CC(=O)Nc1ccc(S(=O)(=O)N=c2ccc(C)c[nH]2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][C][=C][C][Branch1][C][C][=C][NH1][Ring1][#Branch1][C][=C][Ring1][P] | c14ccc(S(=O)(=O)N=c2ccc(C)c[nH]2)cc1.CC3=O.N34 |
694 | Cc1ccc(=NS(=O)(=O)c2ccc(Br)cc2)[nH]c1 | [C][C][C][=C][C][=Branch2][Ring1][Ring2][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][NH1][C][=Ring1][P] | Cc1ccc(=NS(=O)(=O)c2ccc(Br)cc2)[nH]c1 |
695 | COc1ccc(C(=O)Nc2ccc(C)cn2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c14ccc7c5c1.c16ccc(C)cn1.C37=O.CO4.N36.O5C |
696 | COc1ccc(C(=O)Nc2ccc(C)cn2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][=C][Ring1][S][O][C] | c14ccc7cc15.c16ccc(C)cn1.C37=O.CO4.N36.O5C |
697 | COc1cc(OC)cc(C(=O)Nc2ccc(C)cn2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][C] | c14cc5cc7c1.c16ccc(C)cn1.C37=O.CO4.O5C.N36 |
698 | CC(=O)Nc1ccc(C(=O)Nc2ccc(C)cn2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][=C][Ring1][S] | c16ccc7cc1.c15ccc(C)cn1.CC3=O.C47=O.N36.N45 |
700 | COc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c13ccc(S4(=O)=O)cc1.c15ccc(C#N)cc1.CO3.N45 |
701 | COc1cc(C(=O)Nc2ccccc2C#N)cc(OC)c1OC | [C][O][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc8cc5c16.c17ccccc1C#N.C38=O.CO4.N37.O5C.O6C |
704 | NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | NS(=O)(=O)c1ccc4cc1.c15ccco1.C35=O.N34 |
705 | NS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P] | NS(=O)(=O)c1ccc4cc1.c15cc(Cl)ccc1Cl.C35=O.N34 |
706 | CC(=O)Nc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c15ccc6cc1.c18ccc7cc1.CC3=O.C48=O.N7(C)C.N35.N46 |
707 | CC(=O)Nc1ccc(NC(=O)N2CCOCC2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c16ccc7cc1.N15CCOCC1.CC3=O.C45=O.N36.N47 |
708 | CC(=O)Oc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring1][P] | c16cc(Cl)ccc1C.c15ccc7cc1.CC3=O.C47=O.O35.N46 |
709 | O=S(=O)(NCc1ccncc1)c1ccc(Br)cc1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | O=S3(=O)c1ccc(Br)cc1.c14ccncc1.N23.C24 |
711 | NC(=O)c1ccccc1NS(=O)(=O)Cc1ccccc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc13.c15ccccc1.S2(=O)(=O)C5.NC4=O.N23 |
713 | Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C] | Cc1ccc5cc1C.c14ccc6cc1.C35=O.C6(N)=O.N34 |
715 | CC(=O)Oc1ccccc1C(=O)Nc1ccc(C(N)=O)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | c14ccccc16.c15ccc7cc1.CC2=O.C36=O.C7(N)=O.O24.N35 |
716 | NC(=O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P] | c16c(Cl)cccc1Cl.c15ccc4cc1.NC5=O.C36=O.N34 |
717 | COc1ccccc1CC(=O)Nc1ccc(C(N)=O)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | c13ccccc16.c14ccc5cc1.C6C2=O.C5(N)=O.CO3.N24 |
719 | NS(=O)(=O)c1ccc(CNC(=O)c2cccs2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C] | NS(=O)(=O)c1ccc6cc1.c15cccs1.C35=O.C46.N34 |
722 | CN(C)c1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 | [C][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | c17ccc(S(N)(=O)=O)cc1.c15cccc6c1.CN5C.C36=O.N34.C47 |
723 | CCCC(C)NS(=O)(=O)c1ccc(OC)cc1 | [C][C][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | S4(=O)(=O)c1ccc2cc1.CCCC3C.N34.O2C |
724 | CCCC(C)NS(=O)(=O)c1ccc(NC(C)=O)cc1 | [C][C][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | S4(=O)(=O)c1ccc5cc1.CCCC3C.C2(C)=O.N34.N25 |
725 | CCCC(C)NC(=O)c1ccc(OC)c(OC)c1 | [C][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c16ccc3c4c1.CCCC5C.C26=O.N25.O3C.O4C |
726 | Cc1cc2ncn(C(=O)N3CCOCC3)c2cc1C | [C][C][=C][C][N][=C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][=N][C][=C][Ring1][P][C] | Cc1cc2ncn(C4=O)c2cc1C.N14CCOCC1 |
727 | Cc1cc(C)c(NC(=O)c2ccc(N(C)C)cc2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1cc(C)c4c(C)c1.c16ccc5cc1.C36=O.N5(C)C.N34 |
728 | CC(=O)Nc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][=C][Ring2][Ring1][C] | c16c(C)cc(C)cc1C.c15ccc7cc1.CC3=O.C47=O.N35.N46 |
729 | COc1ccccc1CC(=O)Nc1c(C)cc(C)cc1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C] | c14c(C)cc(C)cc1C.c13ccccc15.C5C2=O.CO3.N24 |
730 | COc1ccc(S(=O)(=O)NCCC(C)C)cc1 | [C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][=C][Ring1][#C] | c12ccc(S4(=O)=O)cc1.C3CC(C)C.CO2.N34 |
731 | CC(=O)Nc1ccc(S(=O)(=O)NCCC(C)C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][=C][Ring1][#C] | c15ccc(S4(=O)=O)cc1.C3CC(C)C.CC2=O.N25.N34 |
732 | CC(C)CCNS(=O)(=O)c1ccc(Br)cc1 | [C][C][Branch1][C][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(Br)cc1.CC(C)CC2.N23 |
733 | COc1ccc(Cl)cc1C(=O)Nn1cnnc1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][N][C][=N][N][=C][Ring1][Branch1] | c12ccc(Cl)cc13.C3(=O)Nn1cnnc1.CO2 |
734 | COc1cc(SC)ccc1C(=O)NC(C)(C)C | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] | c13cc6ccc15.C4(C)(C)C.C25=O.CO3.S6C.N24 |
735 | O=C(Cc1cccs1)N1CCN(c2ccccc2)CC1 | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | N13CCN4CC1.c14ccccc1.c15cccs1.O=C3C5 |
736 | CCC(C)(C)C(=O)N1CCN(c2ccccc2)CC1 | [C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | CCC(C)(C)C3=O.N13CCN4CC1.c14ccccc1 |
737 | CN(C)S(=O)(=O)N1CCN(c2ccccc2)CC1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | CN(C)S(=O)(=O)N1CCN3CC1.c13ccccc1 |
738 | COc1cc(SC)ccc1C(=O)N1CCN(c2ccccc2)CC1 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | c14cc7ccc16.N13CCN5CC1.c15ccccc1.C36=O.CO4.S7C |
739 | COc1ccc(Cl)cc1C(=O)NCc1ccccn1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c13ccc(Cl)cc15.c16ccccn1.C25=O.CO3.N24.C46 |
741 | CCCC(C)C(=O)Nc1ccc(OC)cc1OC | [C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C] | c15ccc3cc14.CCCC(C)C2=O.N25.O3C.O4C |
742 | O=C(Cc1ccc(Br)cc1)NCC1CCCO1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][C][C][C][O][Ring1][Branch1] | c15ccc(Br)cc1.C14CCCO1.O=C2C5.N23.C34 |
743 | CC1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 | [C][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][S] | CC1CCCN3C1.c14ccc(Cl)cc1.C3(=O)C4 |
744 | CC(C)N(Cc1ccccc1)S(=O)(=O)N(C)C | [C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C] | N23S(=O)(=O)N(C)C.c14ccccc1.CC2C.C34 |
745 | CC(C)N(Cc1ccccc1)C(=O)COc1ccccc1 | [C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccccc1.c14ccccc1.C2(=O)C3.CC5C.N256.C67.O34 |
746 | CN(C)S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c12ccc(Cl)c(Cl)c1.CN(C)S(=O)(=O)N2 |
747 | COc1cc(SC)ccc1C(=O)NC1CCCC1 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | c13cc6ccc15.C14CCCC1.C25=O.CO3.S6C.N24 |
749 | COc1cc(SC)ccc1C(=O)Nc1nccs1 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | c13cc6ccc15.c14nccs1.C25=O.CO3.S6C.N24 |
750 | CN(C)S(=O)(=O)N1CCC(Cc2ccccc2)CC1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] | CN(C)S(=O)(=O)N1CCC3CC1.c14ccccc1.C34 |
751 | CN(C)S(=O)(=O)Nc1ccc(Br)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | CN(C)S(=O)(=O)N2.c12ccc(Br)cc1 |
752 | CN(C)S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | CN(C)S(=O)(=O)N1CCN3CC1.c13ccc(F)cc1 |
753 | CC(C)CC(=O)N1CCN(c2ccc(F)cc2)CC1 | [C][C][Branch1][C][C][C][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] | N13CCN4CC1.c14ccc(F)cc1.CC(C)CC3=O |
754 | CCC(C)C(=O)N1CCN(c2ccc(F)cc2)CC1 | [C][C][C][Branch1][C][C][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] | N13CCN4CC1.c14ccc(F)cc1.CCC(C)C3=O |
755 | COc1ccccc1CNC(=O)Cc1cccs1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1] | c13ccccc16.c15cccs1.C2(=O)C5.CO3.C46.N24 |
756 | COc1ccccc1CNC(=O)C(C)Oc1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc17.c15ccccc1.C2(=O)C3C.CO4.C67.N26.O35 |
757 | CCN(Cc1ccccc1)C(=O)C(C)Oc1ccccc1 | [C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccccc1.c14ccccc1.C2(=O)C3C.N256.CC5.C67.O34 |
758 | Cc1ccnc(NC(=O)Cc2ccc(Cl)cc2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][P] | Cc1ccnc4c1.c15ccc(Cl)cc1.C3(=O)C5.N34 |
759 | O=C(Cc1ccc(Br)cc1)N1CCCC1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1] | c13ccc(Br)cc1.N12CCCC1.O=C2C3 |
761 | CC(Oc1ccccc1)C(=O)N(C)c1ccccc1 | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1.c15ccccc1.CC3C2=O.N25C.O34 |
762 | CCN(CC)C(=O)Cc1ccc(Br)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c15ccc(Br)cc1.C2(=O)C5.N234.CC3.C4C |
765 | CC(Oc1ccccc1)C(=O)Nc1ccc(F)cc1 | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c14ccccc1.CC3C2=O.O34.N25 |
766 | CC(C)CC(=O)N(Cc1ccccc1)c1ccccn1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] | CC(C)CC2=O.c15ccccc1.c14ccccn1.N234.C35 |
768 | COc1ccc(Cl)cc1NS(=O)(=O)N(C)C | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C] | c12ccc(Cl)cc13.N3S(=O)(=O)N(C)C.CO2 |
769 | CC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | c15ccc4cc1.c16ccc(Cl)cc1.C3(=O)C6.CC5=O.N34 |
771 | CC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17ccc6cc1.c15ccccc1.C3(=O)C4C.CC7=O.N36.O45 |
772 | CCOC(=O)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][S] | C16CCN4CC1.c17ccc(Cl)cc1.C4(=O)C7.C36=O.CC5.O35 |
773 | CCOC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | C16CCN4CC1.c17ccccc1.C4(=O)CC7.C36=O.CC5.O35 |
774 | CCOC(=O)C1CCN(C(=O)Cc2cccs2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=C] | C16CCN4CC1.c17cccs1.C4(=O)C7.C36=O.CC5.O35 |
775 | CCOC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][N] | C14CCN(S(=O)(=O)N(C)C)CC1.C24=O.CC3.O23 |
777 | CC1CCCCN1C(=O)Cc1ccc(Cl)cc1 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | CC1CCCCN12.c13ccc(Cl)cc1.C2(=O)C3 |
778 | CC(Oc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c15ccc(F)c(F)c1.c14ccccc1.CC3C2=O.O34.N25 |
779 | Cc1ccc(CNC(=O)C(C)Oc2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc7cc1.c15ccccc1.C3(=O)C4C.C67.N36.O45 |
780 | Cc1cccc(C)c1NC(=O)C(C)Oc1ccccc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cccc(C)c15.c14ccccc1.C2(=O)C3C.N25.O34 |
781 | CC1CN(C(=O)Cc2ccc(Cl)cc2)CC(C)O1 | [C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][O][Ring1][P] | CC1CN3CC(C)O1.c14ccc(Cl)cc1.C3(=O)C4 |
784 | CC(C)CNC(=O)Cc1ccc(Br)cc1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.CC(C)C3.C2(=O)C4.N23 |
785 | O=C(Cc1ccc(Br)cc1)Nc1ccccn1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14ccc(Br)cc1.c13ccccn1.O=C2C4.N23 |
787 | NC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | c15ccc4cc1.c16ccc(Br)cc1.C3(=O)C6.NC5=O.N34 |
788 | CN(Cc1ccccc1)C(=O)CCc1ccccc1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1.c15ccccc1.C2(=O)CC5.CN23.C34 |
789 | CCN(C(=O)CCc1ccccc1)c1ccccc1 | [C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.c14ccccc1.C2(=O)CC5.N234.CC3 |
790 | CCC(C(=O)N1CC(C)OC(C)C1)c1ccccc1 | [C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | N12CC(C)OC(C)C1.CCC3C2=O.c13ccccc1 |
792 | CCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 | [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][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccc(S(N)(=O)=O)cc1.CCC4C2=O.c14ccccc1.N23 |
795 | O=C(Cc1cccs1)N1CCc2ccccc2C1 | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14cccs1.O=C3C4 |
800 | NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)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][S][Ring1][Branch1][C][=C][Ring1][#C] | NS(=O)(=O)c1ccc4cc1.c15cccs1.C3(=O)C5.N34 |
802 | COc1ccc(OC)c(NC(=O)CC(C)(C)C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][S] | c13ccc4c5c1.C2(=O)CC(C)(C)C.CO3.O4C.N25 |
803 | CC(C)(C)CC(=O)NCc1ccc(S(N)(=O)=O)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c14ccc(S(N)(=O)=O)cc1.CC(C)(C)CC2=O.N23.C34 |
804 | COc1cc(SC)ccc1C(=O)N(C)Cc1ccccc1 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cc7ccc15.c16ccccc1.C25=O.N24C.CO3.S7C.C46 |
805 | COc1cc(SC)ccc1C(=O)Nc1ccccc1C#N | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N] | c13cc6ccc15.c14ccccc1C#N.C25=O.CO3.S6C.N24 |
806 | COc1cc(SC)ccc1C(=O)Nc1ccccc1C(N)=O | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] | c13cc7ccc15.c14ccccc16.C25=O.C6(N)=O.CO3.S7C.N24 |
807 | CCCC(C)C(=O)Nc1cc(OC)ccc1OC | [C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C] | c15cc3ccc14.CCCC(C)C2=O.N25.O3C.O4C |
808 | CCCC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 | [C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c13ccc(S(N)(=O)=O)cc1.CCCC(C)C2=O.N23 |
809 | CCCC(C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 | [C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c14ccc(S(N)(=O)=O)cc1.CCCC(C)C2=O.N23.C34 |
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