ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
47760 | COc1ccccc1Oc1nc2ccccc2n1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | c13nc2ccccc2n1C.c14ccccc15.CO4.O35 |
47761 | CC(Oc1ccc2ccccc2c1)C(=O)N1CCOCC1 | [C][C][Branch1][S][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc2ccccc2c1.N13CCOCC1.CC4C3=O.O45 |
47762 | CS(=O)(=O)NCCc1ccc(Cl)c(Cl)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(Cl)c(Cl)c1.CS3(=O)=O.C2C4.N23 |
47763 | Cc1cc(OC(C)C(=O)N2CCCC2)ccc1Cl | [C][C][=C][C][Branch1][P][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][S][Cl] | Cc1cc5ccc1Cl.C4(C)C3=O.N13CCCC1.O45 |
47767 | Cc1ccc2nc(-c3ccncc3)cc(C(=O)N3CCC(C)CC3)c2c1 | [C][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] | Cc1ccc2nc6cc5c2c1.N14CCC(C)CC1.c16ccncc1.C45=O |
47768 | CC(Oc1ccc2ccccc2c1)C(=O)N1CCCC1 | [C][C][Branch1][S][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | c15ccc2ccccc2c1.CC4C3=O.N13CCCC1.O45 |
47769 | CCc1ccc(S(=O)(=O)N2CCCCC2C)cc1 | [C][C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring1][S] | c14ccc(S3(=O)=O)cc1.N13CCCCC1C.CC4 |
47770 | CC(C)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c14ccc(S3(=O)=O)cc1.N13CCCCC1.CC(C)C4 |
47773 | COc1ccc2c(c1OC)C(=O)OC2Nc1nc(C)cs1 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][N][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1] | c13ccc2c(c14)C(=O)OC2N5.c15nc(C)cs1.CO3.O4C |
47774 | OC(CCOc1cccc2ccccc12)CNc1nccs1 | [O][C][Branch2][Ring1][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][N][C][=N][C][=C][S][Ring1][Branch1] | c14cccc2ccccc12.OC(C5)CC3.c16nccs1.O34.N56 |
47775 | COc1ccc2c(c1OC)C(=O)OC2CC(=O)c1cccc(O)c1 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | c13ccc2c(c14)C(=O)OC2CC5=O.c15cccc(O)c1.CO3.O4C |
47776 | COC(=O)C1=C(C)Nc2ncnn2C1c1ccccc1OC(F)F | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccccc14.O4C(F)F.CO3 |
47777 | COc1cccc(C(=O)CC2OC(=O)c3c2ccc(OC)c3OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][#Branch1] | C7(=O)CC1OC(=O)c2c1ccc5c26.c14cccc7c1.CO4.O5C.O6C |
47779 | Cc1cc(Cl)ccc1OC(C)C(=O)N1CCCC1 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | Cc1cc(Cl)ccc14.C3(C)C2=O.N12CCCC1.O34 |
47780 | COc1nc(N2CCOCC2)nc(N2CCC(C)CC2)n1 | [C][O][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][N][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | c13nc4nc5n1.N15CCC(C)CC1.N14CCOCC1.CO3 |
47781 | COc1ccc(C(=O)N2CCC(C)CC2)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C][O][C] | c14ccc6cc15.N13CCC(C)CC1.C36=O.CO4.O5C |
47782 | CCc1ccc(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c16ccc(C2CC(=O)Nc3cc4c5cc32)cc1.CC6.O4C.O5C |
47783 | COc1ccc(OC)c(C2CC(=O)Nc3cc(OC)c(OC)cc32)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][#C][=C][Ring2][Ring1][#Branch1] | c14ccc5c(C2CC(=O)Nc3cc6c7cc32)c1.CO4.O5C.O6C.O7C |
47784 | CCOc1cc(C2CC(=O)Nc3cc(OC)c(OC)cc32)ccc1O | [C][C][O][C][=C][C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][#C][=C][C][=C][Ring2][Ring1][Branch1][O] | c15cc(C2CC(=O)Nc3cc6c7cc32)ccc1O.CC4.O45.O6C.O7C |
47785 | COc1cc2c(cc1OC)C(c1ccc(O)cc1)CC(=O)N2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][C] | c13cc2c(cc14)C(c1ccc(O)cc1)CC(=O)N2.CO3.O4C |
47786 | COc1ccc(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1O | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O] | c14ccc(C2CC(=O)Nc3cc5c6cc32)cc1O.CO4.O5C.O6C |
47787 | COc1cccc(C2CC(=O)Nc3cc4c(cc32)OCO4)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][O][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c15cccc(C2CC(=O)Nc3cc4c(cc32)OCO4)c1.CO5 |
47788 | Cc1ccc(C)c(C2CC(=O)Nc3cc4c(cc32)OCO4)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][O][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] | Cc1ccc(C)c(C2CC(=O)Nc3cc4c(cc32)OCO4)c1 |
47789 | CCOc1ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)cc1OC | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][O][C] | c16ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)cc17.CC5.O56.O7C |
47790 | COc1ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][O][C] | c15ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)cc16.CO5.O6C |
47791 | Cc1cccc(C2CC(=O)Nc3cc4c(cc32)OCO4)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][O][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | Cc1cccc(C2CC(=O)Nc3cc4c(cc32)OCO4)c1 |
47792 | CCOc1ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c16ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)cc1.CC5.O56 |
47793 | CC(=O)Oc1ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c16ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)cc1.CC5=O.O56 |
47794 | COc1ccc(OC)c(C2CC(=O)Nc3cc4c(cc32)OCO4)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][O][Ring1][#Branch1][=C][Ring2][Ring1][=Branch1] | c15ccc6c(C2CC(=O)Nc3cc4c(cc32)OCO4)c1.CO5.O6C |
47795 | O=C1CC(c2ccc3c(c2)OCO3)c2cc3c(cc2N1)OCO3 | [O][=C][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][O][C][O][Ring1][Branch2] | O=C1CC(c2ccc3c(c2)OCO3)c2cc3c(cc2N1)OCO3 |
47796 | O=C1CC(c2ccc(O)cc2)c2cc3c(cc2N1)OCO3 | [O][=C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][N][Ring1][P][O][C][O][Ring1][Branch2] | O=C1CC(c2ccc(O)cc2)c2cc3c(cc2N1)OCO3 |
47797 | O=C1CC(c2cccc(O)c2)c2cc3c(cc2N1)OCO3 | [O][=C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][N][Ring1][P][O][C][O][Ring1][Branch2] | O=C1CC(c2cccc(O)c2)c2cc3c(cc2N1)OCO3 |
47798 | COc1cc(C2CC(=O)Nc3cc4c(cc32)OCO4)ccc1O | [C][O][C][=C][C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][O][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][Ring2][O] | c15cc(C2CC(=O)Nc3cc4c(cc32)OCO4)ccc1O.CO5 |
47799 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc[nH]1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][N][C][=C][C][=C][NH1][Ring1][Branch1] | C2(=O)C1=C(C)NC(C)=C(C3=O)C14.c14ccc[nH]1.CO2.O3C |
47800 | COc1ccc(C2NC(=O)NC3=C2CCc2ccccc23)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][=C][Ring1][#Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][O][C] | C16NC(=O)NC2=C1CCc1ccccc12.c14ccc6cc15.CO4.O5C |
47801 | CC(=O)N1c2ccccc2NC(=O)C1CC(=O)Nc1ccccc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13c2ccccc2NC(=O)C16.c15ccccc1.C6C4=O.CC3=O.N45 |
47802 | CC(=O)c1ccc(OC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c17ccc5cc1.C16CC(=O)N8C1.c18ccc(C)cc1.CC7=O.C46=O.O45 |
47803 | Cc1ccc(N2CC(C(=O)Oc3ccccc3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7cc1.N17CC6CC1=O.c15ccccc1.C46=O.O45 |
47804 | CCc1ccc(NC(=O)C2CC(=O)n3c(nc4ccccc43)N2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | C17CC(=O)n2c(nc3ccccc32)N1.c18ccc6cc1.C57=O.CC8.N56 |
47805 | COC(=O)CC1Nc2cccc3cccc(c23)NC1=O | [C][O][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][Ring1][=C][=O] | C15Nc2cccc3cccc(c23)NC1=O.C4(=O)C5.CO4 |
47806 | CCOc1cc2c3c(c1)C1(OCCO1)C(=O)N3C(C)(C)CC2C | [C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#Branch1][O][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][P][C] | c15cc2c3c(c1)C1(OCCO1)C(=O)N3C(C)(C)CC2C.CC4.O45 |
47807 | COC(=O)CC1C(=O)NCCN1C(=O)c1ccccc1N | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N] | C15C(=O)NCCN13.c14ccccc1N.C2(=O)C5.C34=O.CO2 |
47808 | CC(C)(CO)NC1=NS(=O)(=O)c2ccccc21 | [C][C][Branch1][C][C][Branch1][Ring1][C][O][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N3C1=NS(=O)(=O)c2ccccc21.CC3(C)CO |
47809 | Cc1ccc(C(=O)C(O)NC(=O)c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5cc1.c16ccccc1.C5(=O)C4O.C36=O.N34 |
47810 | O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1 | [O][=C][Branch2][Ring1][#Branch1][C][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=C3CC5.N34 |
47811 | CC1CCCC(C)N1C1=NS(=O)(=O)c2ccccc21 | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | CC1CCCC(C)N1C1=NS(=O)(=O)c2ccccc21 |
47813 | C=C1C(C(=O)NCc2ccco2)C1C(=O)NCc1ccco1 | [C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | C=C1C7C18.c19ccco1.c1%10ccco1.C37=O.C48=O.N35.C59.N46.C6%10 |
47814 | C=C1C(C(=O)N2CCOCC2)C1C(=O)N1CCOCC1 | [C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | N13CCOCC1.N14CCOCC1.C=C1C5C16.C35=O.C46=O |
47815 | O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccccc1 | [O][=C][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][#Branch2][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | n14cc5ccc1=O.c13ccccc1.O=C2C4.C5(F)(F)F.N23 |
47818 | O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc2c(c1)OCO2 | [O][=C][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][#Branch2][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c14ccc2c(c1)OCO2.n15cc6ccc1=O.O=C3C5.C6(F)(F)F.N34 |
47819 | CCOc1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Branch1] | n17cc8ccc1=O.c15ccc6cc1.C3(=O)C7.C8(F)(F)F.CC4.O45.N36 |
47821 | CC(NC(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1ccccc1 | [C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C125CCC(C)(C(=O)O1)C2(C)C.c16ccccc1.CC46.C35=O.N34 |
47822 | COC(=O)CCc1nc2c(ccc3ccccc32)s1 | [C][O][C][=Branch1][C][=O][C][C][C][=N][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][S][Ring1][=N] | c15nc2c(ccc3ccccc32)s1.C4(=O)CC5.CO4 |
47823 | CC(C)CN(CC(C)C)C(=O)C12CCC(C)(C(=O)C1)C2(C)C | [C][C][Branch1][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C] | C126CCC(C)(C(=O)C1)C2(C)C.CC(C)C4.C5C(C)C.N345.C36=O |
47824 | Cc1csc(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)n1 | [C][C][=C][S][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][=N][Ring2][Ring1][Ring1] | C126CCC(C)(C(=O)C1)C2(C)C.Cc1csc5n1.C46=O.N45 |
47825 | CC(NC(=O)C12CCC(C)(C(=O)C1)C2(C)C)c1ccccc1 | [C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C125CCC(C)(C(=O)C1)C2(C)C.c16ccccc1.CC46.C35=O.N34 |
47826 | CCN1C(=O)c2cccc3c(NC(=O)c4cccnc4)ccc1c23 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][Ring1][Ring1][#C] | CCN1C(=O)c2cccc3c6ccc1c23.c17cccnc1.C57=O.N56 |
47830 | COc1ccc(C(=O)NCc2ccc3[nH]c(C)cc3c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][NH1][C][Branch1][C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c18ccc2[nH]c(C)cc2c1.c15ccc7cc1.C47=O.CO5.N46.C68 |
47831 | O=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | S4(=O)(=O)c1ccccc1.C16CCN4CC1.c15cccnc1.O=C36.N35 |
47832 | O=C(Nc1cccnc1)C1CCCN(S(=O)(=O)c2ccccc2)C1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C] | S4(=O)(=O)c1ccccc1.C16CCCN4C1.c15cccnc1.O=C36.N35 |
47833 | O=C(C1CCCCN1S(=O)(=O)c1ccccc1)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch2][C][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.C14CCCCN13.N12CCOCC1.O=C24 |
47834 | CC(=O)Nc1ccc(S(=O)(=O)N2CCNC(=O)CC2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][Ring1][P] | c15ccc(S4(=O)=O)cc1.N14CCNC(=O)CC1.CC3=O.N35 |
47835 | O=C1CCN(S(=O)(=O)c2ccc(Br)cc2)CCN1 | [O][=C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][N][Ring1][P] | S3(=O)(=O)c1ccc(Br)cc1.O=C1CCN3CCN1 |
47836 | O=C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CCN1 | [O][=C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][N][Ring1][P] | S3(=O)(=O)c1ccc(Cl)cc1.O=C1CCN3CCN1 |
47837 | CC(=O)OCN1C(=O)N(COC(C)=O)C2C1N(C)C(=O)N2C | [C][C][=Branch1][C][=O][O][C][N][C][=Branch1][C][=O][N][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C][C][Ring1][O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C] | N15C(=O)N6C2C1N(C)C(=O)N2C.CC3=O.O3C5.C6O4.C4(C)=O |
47839 | CC(C)(C)Nc1[nH]c(=O)n(C(C)(C)C)c1NC(C)(C)C | [C][C][Branch1][C][C][Branch1][C][C][N][C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C] | c14[nH]c(=O)n6c15.CC2(C)C.C6(C)(C)C.C3(C)(C)C.N24.N35 |
47840 | O=C(c1ccccc1Br)N1CCOCC1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][C][C][O][C][C][Ring1][=Branch1] | c13ccccc1Br.N12CCOCC1.O=C23 |
47841 | O=C(CSc1nc2ccccc2o1)c1cccs1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][C][=C][S][Ring1][Branch1] | c15nc2ccccc2o1.c14cccs1.O=C4C3.S35 |
47842 | CC1=C(C(=O)Nc2ccccn2)C(c2ccccc2Cl)NC(=O)N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1] | CC1=C(C3=O)C5NC(=O)N1.c15ccccc1Cl.c14ccccn1.N34 |
47843 | COc1ccc(-c2cc(-c3ccccc3)nc3ncnn23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][C][=N][N][Ring1][#C][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | c15cc6nc2ncnn12.c14ccc5cc1.c16ccccc1.CO4 |
47844 | c1ccc(-c2cc(-c3ccc4c(c3)OCO4)n3nnnc3n2)cc1 | [C][=C][C][=C][Branch2][Ring1][S][C][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | c15cc6n2nnnc2n1.c16ccc2c(c1)OCO2.c1ccc5cc1 |
47845 | CC1=C(C(=O)Nc2ccccn2)C(c2ccccc2)n2nnnc2N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][N][Ring2][Ring1][Branch2] | CC1=C(C3=O)C(c2ccccc2)n2nnnc2N1.c14ccccn1.N34 |
47846 | Cc1sc2nc3ccc4nnnn4n3c(=O)c2c1C | [C][C][S][C][N][=C][C][=C][C][=N][N][=N][N][Ring1][Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][=Ring1][=C][C][=Ring1][P][C] | Cc1sc2nc3ccc4nnnn4n3c(=O)c2c1C |
47847 | Cc1nc(SC(F)F)c2c3c(sc2n1)CCC3 | [C][C][=N][C][Branch1][#Branch1][S][C][Branch1][C][F][F][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][=N][C][C][C][Ring1][Branch2] | Cc1nc4c2c3c(sc2n1)CCC3.S4C(F)F |
47848 | Cc1sc2ncnc(NCc3ccccn3)c2c1C | [C][C][S][C][=N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=C][C][=Ring1][P][C] | Cc1sc2ncnc5c2c1C.c16ccccn1.N45.C46 |
47849 | CC1CN(c2ncnc3sc4c(c23)CCC4)CC(C)O1 | [C][C][C][N][Branch2][Ring1][Branch1][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][Ring1] | c15ncnc2sc3c(c12)CCC3.CC1CN5CC(C)O1 |
47850 | CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][Ring1][Branch1] | c18c6sc2c1CCC2.c17ccc(C)o1.C38=O.C47=O.CC5.O35.N46 |
47851 | c1cncc(-c2nc(-c3ccc4c(c3)OCO4)cs2)c1 | [C][=C][N][=C][C][Branch2][Ring1][=Branch2][C][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][S][Ring1][=C][=C][Ring2][Ring1][Ring2] | c16ccc2c(c1)OCO2.c1cncc5c1.c15nc6cs1 |
47852 | Cc1nc2sc3c(c2c2nncn12)CCC(C)C3 | [C][C][=N][C][S][C][=C][Branch1][=N][C][=Ring1][Branch1][C][=N][N][=C][N][Ring1][N][Ring1][Branch1][C][C][C][Branch1][C][C][C][Ring1][=N] | Cc1nc2sc3c(c2c2nncn12)CCC(C)C3 |
47853 | CCC(CO)Nc1ncnc2sc(C)c(C)c12 | [C][C][C][Branch1][Ring1][C][O][N][C][=N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][O][=Ring1][#Branch1] | c14ncnc2sc(C)c(C)c12.CCC3CO.N34 |
47854 | Cc1ccc(-c2csc3nc(C)n(N)c(=O)c23)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][S][C][N][=C][Branch1][C][C][N][Branch1][C][N][C][=Branch1][C][=O][C][Ring1][N][=Ring1][=Branch2][O][Ring1][P] | c14csc2nc(C)n(N)c(=O)c12.Cc1ccc4o1 |
47855 | CCOC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1O | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring1][=N][O] | c16ccc(Cl)c(Cl)c1.c15nn6cc1O.C35=O.CC4.O34 |
47856 | CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CCCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][C][Ring1][=Branch1] | c18c6sc2c1CCCC2.c17ccc(C)o1.C38=O.C47=O.CC5.O35.N46 |
47857 | Cc1ccc(C)n1-n1cnc2scc(-c3cccs3)c2c1=O | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=Ring1][#Branch2][C][Ring1][=C][=O] | Cc1ccc(C)n1-n1cnc2scc4c2c1=O.c14cccs1 |
47858 | COC(=O)c1sc2ncn(-n3c(C)ccc3C)c(=O)c2c1C | [C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][N][N][C][Branch1][C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=Ring1][=C][C][=Ring1][P][C] | c15sc2ncn(-n3c(C)ccc3C)c(=O)c2c1C.C45=O.CO4 |
47859 | CC1(C)C2CCC1(CS(=O)(=O)Nc1ccccc1)C(=O)C2 | [C][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1][Branch2][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][C] | CC1(C)C2CCC15C(=O)C2.c14ccccc1.C5S3(=O)=O.N34 |
47860 | Cc1sc2ncn3cnnc3c2c1-c1ccccc1 | [C][C][S][C][N][=C][N][C][=N][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][=Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1sc2ncn3cnnc3c2c14.c14ccccc1 |
47861 | Cc1ccc(-c2csc3nc(C)n(-n4c(C)ccc4C)c(=O)c23)o1 | [C][C][=C][C][=C][Branch2][Ring2][C][C][=C][S][C][N][=C][Branch1][C][C][N][Branch1][N][N][C][Branch1][C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][Ring2][Ring1][C][=Ring1][#C][O][Ring2][Ring1][#Branch1] | c15csc2nc(C)n(-n3c(C)ccc3C)c(=O)c12.Cc1ccc5o1 |
47862 | N#Cc1cnn(-c2nnc(-c3ccccc3)c3ccccc23)c1N | [N][#C][C][C][=N][N][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=Ring2][Ring1][Branch1][N] | c14nnc5c2ccccc12.N#Cc1cnn4c1N.c15ccccc1 |
47865 | COC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2c1CCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][S][C][=C][Ring1][S][C][C][C][Ring1][Branch1] | c16c5sc2c1CCC2.c17c(F)cccc1F.C36=O.C47=O.CO3.N45 |
47867 | Nn1cnc2scc(-c3ccc(F)cc3)c2c1=O | [N][N][C][=N][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][Ring1][S][=O] | Nn1cnc2scc4c2c1=O.c14ccc(F)cc1 |
47868 | CCC1CCCCN1C(=O)c1ccccc1Cl | [C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | C14CCCCN12.c13ccccc1Cl.C23=O.CC4 |
47869 | COc1cc(OC)cc(C(=O)N2CC(C)CC(C)C2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][=C][Ring2][Ring1][C] | c14cc5cc6c1.N13CC(C)CC(C)C1.C36=O.CO4.O5C |
47870 | COc1ccc(Cl)cc1C(=O)N1CCCCC1C | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C] | c13ccc(Cl)cc14.N12CCCCC1C.C24=O.CO3 |
47871 | O=C(CCc1ccccc1)Nc1nc2ccccc2[nH]1 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c14nc2ccccc2[nH]1.c15ccccc1.O=C3CC5.N34 |
47872 | COC(=O)c1ccc(C2NC(=O)NC(C)=C2C(=O)OCC(C)C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1] | C17NC(=O)NC(C)=C1C4=O.c16ccc7cc1.C5C(C)C.C36=O.CO3.O45 |
47874 | CCOC(=O)C1=C(C)NC(=O)CC1c1cc(OC)ccc1OC | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C] | C2(=O)C1=C(C)NC(=O)CC16.c16cc4ccc15.CC3.O23.O4C.O5C |
47876 | COC(=O)C(C)NC(=O)C(c1ccccc1)c1ccccc1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.c16ccccc1.C2(=O)C4C.C3(=O)C56.CO2.N34 |
47877 | COC(=O)C(NC(=O)c1ccc(F)cc1)C(C)C | [C][O][C][=Branch1][C][=O][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][C] | C2(=O)C4C(C)C.c15ccc(F)cc1.C35=O.CO2.N34 |
47878 | COC(=O)C(NC(=O)c1ccc(Cl)cc1)C(C)C | [C][O][C][=Branch1][C][=O][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][C] | C2(=O)C4C(C)C.c15ccc(Cl)cc1.C35=O.CO2.N34 |
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