ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1926796 | COc1ccc(CN2CCOC3C(Oc4ccccn4)CCC32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][O][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][N][Ring1][S][C][=C][Ring2][Ring1][#Branch1] | N18CCOC2C6CCC21.c17ccc9cc1.c15ccccn1.CO7.C89.O56 |
1926797 | c1ccc(OC2CCC3C2OCCN3CC2CCOCC2)nc1 | [C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring2][Ring1][#Branch1] | C15CCC2C1OCCN26.c1ccc4nc1.C17CCOCC1.O45.C67 |
1926798 | Fc1ccc(CN2CCOC3C(Oc4ncccc4F)CCC32)cc1 | [F][C][=C][C][=C][Branch2][Ring1][O][C][N][C][C][O][C][C][Branch1][O][O][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][Ring1][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2] | N17CCOC2C6CCC21.Fc1ccc8cc1.c15ncccc1F.C78.O56 |
1926799 | Fc1cccnc1OC1CCC2C1OCCN2CC1CCOCC1 | [F][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][C][C][O][C][C][Ring1][=Branch1] | C14CCC2C1OCCN25.Fc1cccnc13.C16CCOCC1.O34.C56 |
1926800 | c1cncc(OC2CN(Cc3ccncc3)C3CCCOC23)c1 | [C][=C][N][=C][C][Branch2][Ring1][#Branch2][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][C][O][C][Ring1][S][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | C14CN6C2CCCOC12.c1cncc5c1.c17ccncc1.O45.C67 |
1926801 | O=C(c1cnccn1)N1CC(OCc2ccncc2)C2OCCCC21 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][P] | N13CC5C2OCCCC21.c16cnccn1.c17ccncc1.O=C36.O45.C47 |
1926802 | c1ccc(COC2CN(Cc3ccccn3)C3CCCOC23)nc1 | [C][=C][C][=C][Branch2][Ring1][O][C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][C][O][C][Ring1][S][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch2] | C15CN6C2CCCOC12.c1ccc7nc1.c18ccccn1.C47.O45.C68 |
1926803 | Cc1noc(C2CC3CCN(C(=O)C4CCOCC4)CC3O2)n1 | [C][C][=N][O][C][Branch2][Ring1][N][C][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C][O][Ring1][P][=N][Ring2][Ring1][=Branch1] | C17CC2CCN5CC2O1.Cc1noc7n1.C16CCOCC1.C56=O |
1926804 | CS(=O)(=O)N1CC2c3ccccc3C(N3CCOCC3)C2C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][C] | N14CC2c3ccccc3C(N3CCOCC3)C2C1.CS4(=O)=O |
1926805 | CCS(=O)(=O)N1CC2c3ccccc3C(N3CCOCC3)C2C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][C] | N14CC2c3ccccc3C(N3CCOCC3)C2C1.CCS4(=O)=O |
1926806 | CN(C)C(=O)N1CC2c3ccccc3C(N3CCOCC3)C2C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][C] | N15CC2c3ccccc3C(N3CCOCC3)C2C1.CN4C.C45=O |
1926807 | c1csc(CN2CC3CC2CN(Cc2nccs2)C3)c1 | [C][=C][S][C][Branch2][Ring1][Branch2][C][N][C][C][C][C][Ring1][Branch1][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][N][=C][Ring2][Ring1][Ring2] | N14CC2CC1CN5C2.c1csc6c1.c17nccs1.C46.C57 |
1926808 | CCc1ncnc2c1CCN(c1ncccn1)CC2 | [C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N] | c14ncnc2c1CCN3CC2.c13ncccn1.CC4 |
1926809 | O=C(c1ccco1)N1CCc2ncnc(C3CCOC3)c2CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][=N][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=C][Ring1][O][C][C][Ring1][S] | N14CCc2ncnc6c2CC1.c15ccco1.C16CCOC1.O=C45 |
1926810 | O=C(c1ccsc1)N1CCc2ncnc(C3CCOC3)c2CC1 | [O][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][C][=N][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=C][Ring1][O][C][C][Ring1][S] | N14CCc2ncnc6c2CC1.c15ccsc1.C16CCOC1.O=C45 |
1926811 | O=C(c1cccnc1)N1CCc2ncnc(C3CCOC3)c2CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][=N][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=C][Ring1][O][C][C][Ring1][S] | N14CCc2ncnc6c2CC1.c15cccnc1.C16CCOC1.O=C45 |
1926812 | Cc1cccc(C(=O)N2CCc3ncnc(C4CCOC4)c3CC2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=C][Ring1][O][C][C][Ring1][S][=N][Ring2][Ring1][Branch2] | N15CCc2ncnc7c2CC1.Cc1cccc6n1.C17CCOC1.C56=O |
1926813 | O=C(c1ccccn1)N1CCc2ncnc(C3CCOC3)c2CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][C][=N][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=C][Ring1][O][C][C][Ring1][S] | N14CCc2ncnc6c2CC1.c15ccccn1.C16CCOC1.O=C45 |
1926814 | Cc1ccc(C(=O)N2CCc3ncnc(C4CCOC4)c3CC2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=C][Ring1][O][C][C][Ring1][S][O][Ring2][Ring1][#Branch1] | N15CCc2ncnc7c2CC1.Cc1ccc6o1.C17CCOC1.C56=O |
1926815 | CCS(=O)(=O)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][=N][C][C][Ring2][Ring1][C] | N14CCc2ncnc5c2CC1.c15ccc(F)cc1.CCS4(=O)=O |
1926816 | CN(C)C(=O)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][=N][C][C][Ring2][Ring1][C] | N15CCc2ncnc6c2CC1.c16ccc(F)cc1.CN4C.C45=O |
1926817 | CCOc1ncnc2c1CCN(Cc1ccc(C)s1)CC2 | [C][C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][N][Branch1][N][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][Ring1][=C] | c14ncnc2c1CCN5CC2.c16ccc(C)s1.CC3.O34.C56 |
1926818 | CCOc1ncnc2c1CCN(Cc1ccncc1)CC2 | [C][C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=C] | c14ncnc2c1CCN5CC2.c16ccncc1.CC3.O34.C56 |
1926819 | CC(C)Oc1ncnc2c1CCN(Cc1cccs1)CC2 | [C][C][Branch1][C][C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | c14ncnc2c1CCN5CC2.c16cccs1.CC3C.O34.C56 |
1926820 | Cc1ccc(CN2CCc3ncnc(OC(C)C)c3CC2)s1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][C][C][=N][C][=N][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2][C][C][Ring1][#C][S][Ring2][Ring1][Branch1] | N16CCc2ncnc5c2CC1.Cc1ccc7s1.C4(C)C.C67.O45 |
1926821 | c1ccc(CN2CCCn3nnc(COCC4CC4)c3C2)nc1 | [C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][C][N][N][=N][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][=C][Ring1][O][C][Ring1][S][N][=C][Ring2][Ring1][#Branch1] | N17CCCn2nnc9c2C1.c1ccc8nc1.C1%10CC1.C78.C59.O56.C6%10 |
1926822 | c1cncc(CN2CCCn3nnc(COCC4CC4)c3C2)c1 | [C][=C][N][=C][C][Branch2][Ring1][#Branch2][C][N][C][C][C][N][N][=N][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][=C][Ring1][O][C][Ring1][S][=C][Ring2][Ring1][#Branch1] | N17CCCn2nnc8c2C1.c1cncc%10c1.C19CC1.C7%10.C58.O56.C69 |
1926823 | Cn1cccc1C(=O)N1CCCn2nnc(COCC3CC3)c2C1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][N][=N][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][=C][Ring1][O][C][Ring1][S] | N14CCCn2nnc8c2C1.Cn1cccc17.C47=O.C19CC1.C58.O56.C69 |
1926825 | Cn1cc(CN2CCc3nnc(COc4ccccn4)n3CC2)cn1 | [C][N][C][=C][Branch2][Ring1][=N][C][N][C][C][C][=N][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][=N][C][C][Ring2][Ring1][C][C][=N][Ring2][Ring1][Branch2] | N17CCc2nnc8n2CC1.Cn1cc9cn1.c16ccccn1.C79.C58.O56 |
1926826 | O=C1CCCN1Cc1nnc2n1CCN(C(=O)c1ccsc1)C2 | [O][=C][C][C][C][N][Ring1][Branch1][C][C][=N][N][=C][N][Ring1][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][=N] | c16nnc2n1CCN3C2.O=C1CCCN15.c14ccsc1.C34=O.C56 |
1926827 | Cc1cccc(C(=O)N2CCn3c(CN4CCCC4=O)nnc3C2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][=N][N][=C][Ring1][N][C][Ring1][S][=N][Ring2][Ring1][Branch2] | N15CCn2c8nnc2C1.Cc1cccc6n1.N17CCCC1=O.C56=O.C78 |
1926829 | O=C(c1cccs1)N1CCCn2cnc(COCC3CC3)c2C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][N][C][=N][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][=C][Ring1][O][C][Ring1][S] | N14CCCn2cnc8c2C1.c17cccs1.O=C47.C19CC1.C58.O56.C69 |
1926830 | CC(C)OCc1ncn2c1CN(C(=O)c1ccsc1)CCC2 | [C][C][Branch1][C][C][O][C][C][N][=C][N][C][=Ring1][Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][C][C][Ring1][=C] | c17ncn2c1CN3CCC2.c16ccsc1.CC4C.C36=O.O45.C57 |
1926831 | COCC1CN(S(=O)(=O)C2CC2)Cc2nccn2C1 | [C][O][C][C][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][=N][C][=C][N][Ring1][Branch1][C][Ring1][S] | C15CN4Cc2nccn2C1.S4(=O)(=O)C1CC1.CO3.C35 |
1926832 | COCc1cncc2c1CCN(Cc1ccoc1)C2 | [C][O][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][N] | c15cncc2c1CCN4C2.c16ccoc1.CO3.C35.C46 |
1926833 | COCc1cncc2c1CCN(c1ncccn1)C2 | [C][O][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N] | c15cncc2c1CCN4C2.c14ncccn1.CO3.C35 |
1926834 | Fc1ccc(CN2CCc3c(COCC4CC4)cncc3C2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][C][=C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][=N][C][=C][Ring1][N][C][Ring1][S][C][=C][Ring2][Ring1][#Branch1] | N17CCc2c%10cncc2C1.Fc1ccc9cc1.C18CC1.C79.C5%10.O56.C68 |
1926835 | COc1ccc(CN2CCc3c(COCC4CC4)cncc3C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][C][=C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][=N][C][=C][Ring1][N][C][Ring1][S][C][=C][Ring2][Ring1][#Branch1] | N18CCc2c%11cncc2C1.c17ccc%10cc1.C19CC1.CO7.C8%10.C5%11.O56.C69 |
1926836 | Cc1cccc(C(=O)N2CCc3c(COCC4CC4)cncc3C2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][=N][C][=C][Ring1][N][C][Ring1][S][=N][Ring2][Ring1][Branch2] | N15CCc2c%10cncc2C1.Cc1cccc8n1.C58=O.C19CC1.C6%10.O67.C79 |
1926838 | CCS(=O)(=O)N1CCc2c(COCc3ccncc3)cncc2C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][Branch1][N][C][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][C][=C][Ring1][#C][C][Ring2][Ring1][Ring1] | N16CCc2c7cncc2C1.c18ccncc1.CCS6(=O)=O.C47.O45.C58 |
1926839 | COCCn1c2c(ccc1=O)CC(NCc1cccs1)CC2 | [C][O][C][C][N][C][=C][Branch1][#Branch1][C][=C][C][Ring1][=Branch1][=O][C][C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][P] | n16c2c(ccc1=O)CC5CC2.c17cccs1.C3C6.CO3.N45.C47 |
1926840 | CCOC(=O)C1CN(C(=O)c2ccoc2)Cc2ncn(CC)c21 | [C][C][O][C][=Branch1][C][=O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][N][=C][N][Branch1][Ring1][C][C][C][=Ring1][#Branch1][Ring2][Ring1][C] | C3(=O)C1CN4Cc2ncn7c21.c16ccoc1.C46=O.CC5.O35.C7C |
1926842 | O=c1cc(CN2CCCC2)nc2n1CCCN(Cc1ccsc1)C2 | [O][=C][C][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][N][=C][N][Ring1][N][C][C][C][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][=N] | O=c1cc5nc2n1CCCN4C2.N13CCCC1.c16ccsc1.C35.C46 |
1926843 | Cc1ccc(CN2CCCn3c(nc(CN4CCCC4)cc3=O)C2)o1 | [C][C][=C][C][=C][Branch2][Ring1][S][C][N][C][C][C][N][C][=Branch2][Ring1][C][=N][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][=C][C][Ring1][N][=O][C][Ring2][Ring1][C][O][Ring2][Ring1][Branch2] | N15CCCn2c(nc8cc2=O)C1.Cc1ccc7o1.N16CCCC1.C57.C68 |
1926844 | O=c1cc(Cn2cncn2)nc2n1CCCN(Cc1ccncc1)C2 | [O][=C][C][=C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][N][=C][N][Ring1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=C] | O=c1cc5nc2n1CCCN3C2.c16ccncc1.n14cncn1.C45.C36 |
1926845 | Cn1cc2c(n1)C(CNCc1ccncc1)OCC2 | [C][N][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][Branch1][N][C][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][C][Ring1][S] | Cn1cc2c(n1)C(C3)OCC2.c15ccncc1.N34.C45 |
1926846 | COCCn1cc2c(n1)C(CNCc1ccncc1)OCC2 | [C][O][C][C][N][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][Branch1][N][C][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][C][Ring1][S] | n16cc2c(n1)C(C4)OCC2.c17ccncc1.C3C6.CO3.N45.C57 |
1926847 | CN(C)C(=O)Cn1cc2c(n1)C(CNCc1ccncc1)OCC2 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][Branch1][N][C][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][C][Ring1][S] | n16cc2c(n1)C(C4)OCC2.c17ccncc1.C3(=O)C6.CN3C.N45.C57 |
1926852 | COCC1CN(Cc2ccc(C)s2)Cc2cn(C)nc21 | [C][O][C][C][C][N][Branch1][N][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][Ring1][P] | C3C1CN4Cc2cn(C)nc21.c15ccc(C)s1.CO3.C45 |
1926853 | CCOCC1CN(Cc2cccs2)Cc2cn(C)nc21 | [C][C][O][C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][Ring1][S] | C4C1CN5Cc2cn(C)nc21.c16cccs1.CC3.O34.C56 |
1926854 | CCOCC1CN(Cc2ccc(C)s2)Cc2cn(C)nc21 | [C][C][O][C][C][C][N][Branch1][N][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][Ring1][P] | C4C1CN5Cc2cn(C)nc21.c16ccc(C)s1.CC3.O34.C56 |
1926855 | Cn1cc2c(n1)C(COCC1CC1)CN(Cc1ccncc1)C2 | [C][N][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2] | Cn1cc2c(n1)C(C3)CN5C2.c17ccncc1.C16CC1.O34.C46.C57 |
1926856 | CCn1cc2c(n1)C(COC)CN(Cc1ccc(C)s1)C2 | [C][C][N][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][Branch1][Ring2][C][O][C][C][N][Branch1][N][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][Ring1][P] | n15cc2c(n1)C(C3)CN4C2.c16ccc(C)s1.CC5.O3C.C46 |
1926857 | CCOCC1CN(Cc2ccc(C)s2)Cc2cn(CC)nc21 | [C][C][O][C][C][C][N][Branch1][N][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][=C][N][Branch1][Ring1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][C] | C4C1CN5Cc2cn6nc21.c17ccc(C)s1.CC3.O34.C57.C6C |
1926858 | CCn1cc2c(n1)C(COCC1CC1)CN(Cc1ccncc1)C2 | [C][C][N][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2] | n16cc2c(n1)C(C3)CN5C2.c18ccncc1.C17CC1.CC6.O34.C47.C58 |
1926859 | COCC1CN(C(=O)c2ccncc2)Cc2cnn(C)c21 | [C][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][Ring2][Ring1][C] | C4C1CN3Cc2cnn(C)c21.c15ccncc1.C35=O.CO4 |
1926860 | COCC1CN(C(=O)c2cccnc2)Cc2cnn(C)c21 | [C][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][Ring2][Ring1][C] | C4C1CN3Cc2cnn(C)c21.c15cccnc1.C35=O.CO4 |
1926861 | CCOCC1CN(C(=O)c2ccncc2)Cc2cnn(C)c21 | [C][C][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][Ring2][Ring1][C] | C5C1CN3Cc2cnn(C)c21.c16ccncc1.C36=O.CC4.O45 |
1926862 | CCOCC1CN(C(=O)c2cccnc2)Cc2cnn(C)c21 | [C][C][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][Ring2][Ring1][C] | C5C1CN3Cc2cnn(C)c21.c16cccnc1.C36=O.CC4.O45 |
1926863 | COCC1CN(Cc2ccc(F)cc2)Cc2nn(C)cc21 | [C][O][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | C3C1CN4Cc2nn(C)cc21.c15ccc(F)cc1.CO3.C45 |
1926864 | COCC1CN(Cc2ccc(OC)cc2)Cc2nn(C)cc21 | [C][O][C][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | C3C1CN5Cc2nn(C)cc21.c16ccc4cc1.CO3.C56.O4C |
1926865 | CCOCC1CN(Cc2ccncc2)Cc2nn(C)cc21 | [C][C][O][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Ring1][P] | C4C1CN5Cc2nn(C)cc21.c16ccncc1.CC3.O34.C56 |
1926866 | CCn1cc2c(n1)CN(Cc1cnn(C)c1)CC2COCC1CC1 | [C][C][N][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][Ring1][=C][C][O][C][C][C][C][Ring1][Ring1] | n16cc2c(n1)CN5CC2C3.c18cnn(C)c1.C17CC1.CC6.C58.O34.C47 |
1926867 | C=CCOCC1c2nnn(C)c2CCN1Cc1ccsc1 | [C][=C][C][O][C][C][C][N][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][N][Ring1][#Branch2][C][C][C][=C][S][C][=Ring1][Branch1] | C4C1c2nnn(C)c2CCN15.c16ccsc1.C=CC3.O34.C56 |
1926869 | COCC1c2nnn(CC3CC3)c2CCN1Cc1cccs1 | [C][O][C][C][C][N][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][C][C][N][Ring1][=N][C][C][=C][C][=C][S][Ring1][Branch1] | C4C1c2nnn6c2CCN15.c17cccs1.C18CC1.CO4.C68.C57 |
1926870 | COCC1c2nnn(CC3CC3)c2CCN1Cc1ccc(C)s1 | [C][O][C][C][C][N][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][C][C][N][Ring1][=N][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | C4C1c2nnn6c2CCN15.c17ccc(C)s1.C18CC1.CO4.C68.C57 |
1926871 | COCC1c2nnn(CC3CC3)c2CCN1CC1CCOCC1 | [C][O][C][C][C][N][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][C][C][N][Ring1][=N][C][C][C][C][O][C][C][Ring1][=Branch1] | C4C1c2nnn6c2CCN15.C18CCOCC1.C17CC1.CO4.C67.C58 |
1926872 | COCC1c2nnn(CC3CC3)c2CCN1S(=O)(=O)C1CC1 | [C][O][C][C][C][N][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][C][C][N][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1] | C4C1c2nnn6c2CCN15.S5(=O)(=O)C1CC1.C17CC1.CO4.C67 |
1926873 | COCC1CN(Cc2ccsc2)Cc2nnn(C)c21 | [C][O][C][C][C][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][C][N][=N][N][Branch1][C][C][C][=Ring1][=Branch1][Ring1][S] | C3C1CN4Cc2nnn(C)c21.c15ccsc1.CO3.C45 |
1926874 | COCC1CN(Cc2nccs2)Cc2nnn(C)c21 | [C][O][C][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][N][=N][N][Branch1][C][C][C][=Ring1][=Branch1][Ring1][S] | C3C1CN4Cc2nnn(C)c21.c15nccs1.CO3.C45 |
1926875 | COCC1CN(C(=O)c2ccncc2)Cc2nnn(C)c21 | [C][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][N][=N][N][Branch1][C][C][C][=Ring1][=Branch1][Ring2][Ring1][C] | C4C1CN3Cc2nnn(C)c21.c15ccncc1.C35=O.CO4 |
1926876 | COCC1CN(C(=O)c2cnccn2)Cc2nnn(C)c21 | [C][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][N][=N][N][Branch1][C][C][C][=Ring1][=Branch1][Ring2][Ring1][C] | C4C1CN3Cc2nnn(C)c21.c15cnccn1.C35=O.CO4 |
1926877 | Cn1nnc2c1C(COCC1CC1)CN(Cc1ccccn1)C2 | [C][N][N][=N][C][=C][Ring1][Branch1][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Ring1] | Cn1nnc2c1C(C3)CN5C2.c16ccccn1.C17CC1.O34.C47.C56 |
1926878 | Cn1nnc2c1C(COCc1cccnc1)CN(Cc1ccoc1)C2 | [C][N][N][=N][C][=C][Ring1][Branch1][C][Branch1][N][C][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][Ring2][Ring1][Branch1] | Cn1nnc2c1C(C3)CN5C2.c16cccnc1.c17ccoc1.O34.C46.C57 |
1926879 | COCC1CN(Cc2cccs2)Cc2nnn(CC3CC3)c21 | [C][O][C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][N][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][Ring2][Ring1][Ring1] | C4C1CN5Cc2nnn6c21.c17cccs1.C18CC1.CO4.C57.C68 |
1926880 | O=C(NCC1CC1)C1CCC2(CCN(C(=O)c3ccncc3)CC2)O1 | [O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][C][C][C][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=C][O][Ring2][Ring1][C] | C17CCC2(CCN5CC2)O1.c18ccncc1.O=C47.C19CC1.C58=O.N46.C69 |
1926881 | COC1CCN(Cc2ccco2)C1Cc1ccccc1 | [C][O][C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C13CCN4C15.c17ccccc1.c16ccco1.CO3.C46.C57 |
1926882 | COC1CCN(Cc2ccc(C)o2)C1Cc1ccccc1 | [C][O][C][C][C][N][Branch1][N][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C13CCN4C15.c16ccc(C)o1.c17ccccc1.CO3.C46.C57 |
1926883 | COC1CCN(Cc2ccccn2)C1Cc1ccccc1 | [C][O][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C13CCN4C15.c16ccccn1.c17ccccc1.CO3.C46.C57 |
1926884 | COC1CCN(Cc2cccnc2)C1Cc1ccccc1 | [C][O][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C13CCN4C15.c16cccnc1.c17ccccc1.CO3.C46.C57 |
1926885 | c1ccc(CC2C(OCC3CC3)CCN2Cc2ccncc2)cc1 | [C][=C][C][=C][Branch2][Ring1][O][C][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][C][N][Ring1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2] | C17C5CCN16.c1ccc9cc1.c1%10ccncc1.C18CC1.C79.O45.C48.C6%10 |
1926886 | OC1CCN(Cc2ccc(F)cc2)C1Cc1cccnc1 | [O][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | OC1CCN3C14.c15ccc(F)cc1.c16cccnc1.C35.C46 |
1926887 | Cn1cc(CC2C(O)CCN2Cc2cccs2)cn1 | [C][N][C][=C][Branch2][Ring1][Ring2][C][C][C][Branch1][C][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][S][Ring1][Branch1][C][=N][Ring2][Ring1][C] | C14C(O)CCN13.Cn1cc6cn1.c15cccs1.C46.C35 |
1926888 | COCC(=O)N1CCC(O)C1Cc1cnn(C)c1 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | N12CCC(O)C14.c15cnn(C)c1.C3C2=O.CO3.C45 |
1926889 | Cn1cc(CC2C(O)CCN2S(=O)(=O)C2CC2)cn1 | [C][N][C][=C][Branch2][Ring1][Branch2][C][C][C][Branch1][C][O][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=N][Ring2][Ring1][C] | C14C(O)CCN13.Cn1cc5cn1.S3(=O)(=O)C1CC1.C45 |
1926890 | CN(C)C(=O)N1CCC(O)C1Cc1cnn(C)c1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | N13CCC(O)C14.c15cnn(C)c1.CN2C.C23=O.C45 |
1926891 | CC1c2ncc(Cn3cncn3)n2CCN1C(=O)c1ccncc1 | [C][C][C][=N][C][=C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][N][Ring1][O][C][C][N][Ring1][#C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] | CC1c2ncc7n2CCN14.c15ccncc1.n16cncn1.C45=O.C67 |
1926892 | CC1c2ncc(Cn3cncn3)n2CCN1C(=O)c1cnccn1 | [C][C][C][=N][C][=C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][N][Ring1][O][C][C][N][Ring1][#C][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1] | CC1c2ncc7n2CCN14.c15cnccn1.n16cncn1.C45=O.C67 |
1926893 | CC1c2ncc(Cn3cncn3)n2CCN1C(=O)C1CCOCC1 | [C][C][C][=N][C][=C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][N][Ring1][O][C][C][N][Ring1][#C][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1] | CC1c2ncc7n2CCN14.C15CCOCC1.n16cncn1.C45=O.C67 |
1926894 | O=C1COC2(CCN(C(=O)c3ccco3)CC2)CN1 | [O][=C][C][O][C][Branch2][Ring1][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][C][N][Ring2][Ring1][C] | O=C1COC2(CCN4CC2)CN1.c15ccco1.C45=O |
1926895 | O=C1COC2(CCN(C(=O)c3cccs3)CC2)CN1 | [O][=C][C][O][C][Branch2][Ring1][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][C][N][Ring2][Ring1][C] | O=C1COC2(CCN4CC2)CN1.c15cccs1.C45=O |
1926896 | C=CCN1CC2(CCN(C(=O)c3ccco3)CC2)OCC1=O | [C][=C][C][N][C][C][Branch2][Ring1][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][O][C][C][Ring2][Ring1][C][=O] | N16CC2(CCN4CC2)OCC1=O.c15ccco1.C=CC6.C45=O |
1926897 | C=CCN1CC2(CCN(C(=O)c3cccs3)CC2)OCC1=O | [C][=C][C][N][C][C][Branch2][Ring1][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][O][C][C][Ring2][Ring1][C][=O] | N16CC2(CCN4CC2)OCC1=O.c15cccs1.C=CC6.C45=O |
1926898 | CC1NC(=O)COC12CCN(C(=O)c1cccs1)CC2 | [C][C][N][C][=Branch1][C][=O][C][O][C][Ring1][#Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | CC1NC(=O)COC12CCN3CC2.c14cccs1.C34=O |
1926899 | CN(C)C(=O)N1CCOCC2(CCN(c3ncccn3)C2)C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][P][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][O][C][Ring1][P] | N15CCOCC2(CCN6C2)C1.c16ncccn1.CN4C.C45=O |
1926900 | CC(C)C(=O)N1CCC2(CC1)NC(=O)c1ccccc12 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | N13CCC2(CC1)NC(=O)c1ccccc12.CC(C)C3=O |
1926901 | COCC(=O)N1CCC2(CC1)NC(=O)c1ccccc12 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | N13CCC2(CC1)NC(=O)c1ccccc12.C4C3=O.CO4 |
1926902 | Cc1ccc(N2CCC3(CCN(C(=O)c4cnccn4)C3)CC2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][P][N][C][C][C][Branch2][Ring1][Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring1][=N][C][C][Ring2][Ring1][C][N][=N][Ring2][Ring1][Branch2] | N16CCC2(CCN5C2)CC1.Cc1ccc6nn1.c17cnccn1.C57=O |
1926903 | O=C(Cc1ccccn1)N1CCC2(CC1)CCN(c1ncccn1)C2 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=N] | N13CCC2(CC1)CCN4C2.c15ccccn1.c14ncccn1.O=C3C5 |
1926904 | Cc1ccc(N2CCC3(CCN(C(=O)c4cnccn4)CC3)C2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][P][N][C][C][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][C][Ring2][Ring1][C][N][=N][Ring2][Ring1][Branch2] | N16CCC2(CCN5CC2)C1.Cc1ccc6nn1.c17cnccn1.C57=O |
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