ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1935677 | CCC(c1ccccn1)N(C)C(=O)c1nc(-c2ccccc2)[nH]c1C | [C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C] | c15nc7[nH]c1C.c16ccccn1.c17ccccc1.CCC46.N34C.C35=O |
1935678 | COc1ccccc1CCCNC(=O)C1CC(=O)OC12CCCCC2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C][C][C][Ring1][=Branch1] | C16CC(=O)OC12CCCCC2.c14ccccc17.C7CC5.C36=O.CO4.N35 |
1935679 | Cc1ccc(CN(CCO)C(=O)C2CCOC(C)(C)C2)s1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][S][Ring2][Ring1][Ring2] | C16CCOC(C)(C)C1.Cc1ccc7s1.N345.C5CO.C36=O.C47 |
1935680 | O=C(NCCCOC1CCCCC1)c1cc(-c2ccncc2)n[nH]1 | [O][=C][Branch1][=C][N][C][C][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][NH1][Ring1][O] | C15CCCCC1.c17cc8n[nH]1.c18ccncc1.C6CC4.O=C37.N36.O45 |
1935681 | O=C(NC(c1cccnc1)C(F)(F)F)c1ccc(-n2cnnc2)nc1 | [O][=C][Branch2][Ring1][Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][N][=C][Ring1][O] | c15ccc7nc1.C46C(F)(F)F.c16cccnc1.n17cnnc1.O=C35.N34 |
1935682 | CCn1nc(C2CCOC2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 | [C][C][N][N][=C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][N][=C][Ring1][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][O][Ring1][=Branch2] | c15ccc2c(c1)N(C)C(=O)CO2.n13nc4nc15.C14CCOC1.CC3 |
1935683 | CC(=O)NCc1ncnn1-c1cccc2ccccc12 | [C][C][=Branch1][C][=O][N][C][C][=N][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c16cccc2ccccc12.c15ncnn16.CC3=O.N34.C45 |
1935684 | O=C(NCC(O)c1ccc(Cl)cc1)c1ccccc1-c1nc[nH]n1 | [O][=C][Branch2][Ring1][C][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][NH1][N][=Ring1][Branch1] | c15ccc(Cl)cc1.c14ccccc16.c16nc[nH]n1.C3C5O.O=C24.N23 |
1935685 | CN(CCn1ccc2ccccc21)C(=O)c1cccc(-c2cn[nH]c2)c1 | [C][N][Branch1][S][C][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][O] | n16ccc2ccccc21.c15cccc7c1.c17cn[nH]c1.CN34.C4C6.C35=O |
1935686 | O=C(c1cncc(-c2cccc(C(F)(F)F)c2F)n1)N1CCCC1 | [O][=C][Branch2][Ring1][#C][C][=C][N][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][F][=N][Ring1][P][N][C][C][C][C][Ring1][Branch1] | c16cccc5c1F.c14cncc6n1.N13CCCC1.C5(F)(F)F.O=C34 |
1935687 | O=C(CN1CCCCC1=O)NCc1cccc(OC(F)(F)F)c1 | [O][=C][Branch1][O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][N][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] | N15CCCCC1=O.c16cccc3c1.O3C(F)(F)F.O=C2C5.N24.C46 |
1935688 | Cc1[nH]nc(CCC(=O)N2CCc3sccc3C2)c1C | [C][C][NH1][N][=C][Branch2][Ring1][Ring2][C][C][C][=Branch1][C][=O][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][C][=Ring2][Ring1][C][C] | N14CCc2sccc2C1.Cc1[nH]nc5c1C.C5CC4=O |
1935689 | CCCc1cc(C(=O)N2CCC3(CC2)OCCCC3OC)[nH]n1 | [C][C][C][C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][C][Ring1][Branch2][O][C][NH1][N][=Ring2][Ring1][Ring2] | N14CCC2(CC1)OCCCC25.c17cc6[nH]n1.CCC7.C46=O.O5C |
1935690 | O=C(NCc1csc(N2CCCC2)n1)c1cc(C(F)(F)F)n[nH]1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][=C][S][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][NH1][Ring1][=Branch2] | c17csc5n1.c16cc8n[nH]1.N15CCCC1.C8(F)(F)F.O=C36.N34.C47 |
1935691 | COc1cccc(OCC(O)CNC(=O)c2ccc3nnnn3c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][=C][C][=N][N][=N][N][Ring1][Branch1][C][=Ring1][=Branch2][=C][Ring2][Ring1][#Branch1] | c19ccc2nnnn2c1.c16cccc7c1.C5C(O)C8.C49=O.CO6.O57.N48 |
1935692 | c1cncc(-c2ccnc(NCCc3noc(C4CCCC4)n3)n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][S][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][=N][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][Ring1][#Branch2][=N][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2] | c19ccnc6n1.c1cncc9c1.c17noc8n1.C18CCCC1.C5C7.N56 |
1935693 | O=c1cc(C2CCCN(c3nccc(-c4ccccn4)n3)C2)nc[nH]1 | [O][=C][C][=C][Branch2][Ring1][#C][C][C][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N][C][Ring2][Ring1][C][N][=C][NH1][Ring2][Ring1][Branch2] | O=c1cc7nc[nH]1.C17CCCN5C1.c15nccc6n1.c16ccccn1 |
1935695 | O=C(c1cccc2nccnc12)N1CCCC2(CCCO2)CC1 | [O][=C][Branch1][#C][C][=C][C][=C][C][=N][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][Branch1][#Branch1][C][C][C][O][Ring1][Branch1][C][C][Ring1][O] | N13CCCC2(CCCO2)CC1.c14cccc2nccnc12.O=C34 |
1935697 | O=C(c1ccnc(-c2cncnc2)c1)N1CCCCC1 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=N][C][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][=C][Ring1][N][N][C][C][C][C][C][Ring1][=Branch1] | c14ccnc5c1.c15cncnc1.N13CCCCC1.O=C34 |
1935698 | O=C(NC1c2ccccc2CC1O)c1ccccc1-c1nc[nH]n1 | [O][=C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][NH1][N][=Ring1][Branch1] | N3C1c2ccccc2CC1O.c14ccccc15.c15nc[nH]n1.O=C34 |
1935699 | Cc1ccn2cc(C(=O)N(Cc3c(C)nn(C)c3C)C3CC3)nc2c1 | [C][C][C][=C][N][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][Branch1][S][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][C][C][Ring1][Ring1][N][=C][Ring2][Ring1][Ring2][C][=Ring2][Ring1][Branch2] | Cc1ccn2cc7nc2c1.c18c(C)nn(C)c1C.C47=O.N456.C16CC1.C58 |
1935700 | CCOC(=O)c1nc[nH]c1C(=O)N1CCCC1c1ccco1 | [C][C][O][C][=Branch1][C][=O][C][N][=C][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1] | c15nc[nH]c16.N13CCCC17.c17ccco1.C25=O.C36=O.CC4.O24 |
1935701 | CCc1n[nH]cc1C(=O)NC1(COC)CCCC1 | [C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring2][C][O][C][C][C][C][C][Ring1][Branch2] | c16n[nH]cc15.C147CCCC1.C25=O.CC6.N24.C37.O3C |
1935703 | O=C(CC(F)(F)F)N1CCn2nc(Cc3ccccc3)cc2C1 | [O][=C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][N][C][C][N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][Ring1][S] | N14CCn2nc5cc2C1.O=C4CC(F)(F)F.c16ccccc1.C56 |
1935704 | CCCOC(C)C(=O)N1CCn2nc(Cc3ccccc3)cc2C1 | [C][C][C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][Ring1][S] | N14CCn2nc7cc2C1.c18ccccc1.C6(C)C4=O.CCC5.O56.C78 |
1935705 | O=C(CCc1n[nH]c2c1CCCC2)NCC1CCCO1 | [O][=C][Branch1][S][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][O][Ring1][Branch1] | c16n[nH]c2c1CCCC2.O=C3CC6.C15CCCO1.N34.C45 |
1935708 | Clc1ccc2c(c1)C=C(c1nc(C3CCOC3)n[nH]1)CO2 | [Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][NH1][Ring1][#Branch2][C][O][Ring1][P] | Clc1ccc2c(c1)C=C(c1nc4n[nH]1)CO2.C14CCOC1 |
1935710 | Cc1n[nH]c(C)c1CC(=O)NCC1CCc2ccccc2O1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15CCc2ccccc2O1.Cc1n[nH]c(C)c16.C6C3=O.N34.C45 |
1935711 | Cc1ocnc1C(=O)N(C)CCCOc1ccccc1Cl | [C][C][O][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c14ccccc1Cl.Cc1ocnc16.C5CC3.C26=O.N25C.O34 |
1935712 | CN(CCSc1ccccc1)C(=O)c1ccc2ncsc2c1 | [C][N][Branch1][N][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][S][C][Ring1][Branch1][=C][Ring1][=Branch2] | c16ccc2ncsc2c1.c17ccccc1.CN34.C4C5.C36=O.S57 |
1935713 | O=C(c1ccnc(-c2ccncc2)c1)N1CCCCC1 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][N][N][C][C][C][C][C][Ring1][=Branch1] | c14ccnc5c1.c15ccncc1.N13CCCCC1.O=C34 |
1935714 | Cc1cnc(CNC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)cn1 | [C][C][=C][N][=C][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][N][C][=N][Ring2][Ring1][=Branch1] | c15cc(C)c(C)c(S(N)(=O)=O)c1.Cc1cnc6cn1.C35=O.C46.N34 |
1935715 | CCOCCN1CCN(C(=O)C2CCOc3ccccc3C2)CC1 | [C][C][O][C][C][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][C][Ring2][Ring1][Ring1] | C18CCOc2ccccc2C1.N17CCN4CC1.C6C7.C48=O.CC5.O56 |
1935716 | O=C(NCCc1ccccc1OC(F)(F)F)C1CCOC1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][C][C][C][O][C][Ring1][Branch1] | c16ccccc13.O3C(F)(F)F.C15CCOC1.O=C25.C4C6.N24 |
1935717 | O=C(NCc1cc(F)ccc1F)C(c1cccnc1)N1CCCC1 | [O][=C][Branch1][#C][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c15cc(F)ccc1F.c16cccnc1.O=C2C46.N14CCCC1.N23.C35 |
1935718 | CC(NC(=O)c1cc(=O)nc2sccn12)C1=CCCCC1 | [C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][=C][S][C][=C][N][Ring1][#Branch2][Ring1][Branch1][C][=C][C][C][C][C][Ring1][=Branch1] | c15cc(=O)nc2sccn12.CC4C1=CCCCC1.C35=O.N34 |
1935719 | O=C(NCCN1CCc2ccccc21)c1cnc(N2CCCC2)nc1 | [O][=C][Branch1][P][N][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][Ring1][O] | N15CCc2ccccc21.c17cnc6nc1.N16CCCC1.O=C37.C4C5.N34 |
1935720 | Cc1ccnc(C(NC(=O)Cn2cccnc2=O)C2CC2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Branch2][C][Branch1][S][N][C][=Branch1][C][=O][C][N][C][=C][C][=N][C][Ring1][=Branch1][=O][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Branch1] | Cc1ccnc6c1.n15cccnc1=O.C3(=O)C5.C467.C17CC1.N34 |
1935721 | COCC(C)(C)C(=O)N(Cc1ccccc1C)CC1CCCO1 | [C][O][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][O][Ring1][Branch1] | C3C(C)(C)C2=O.c17ccccc1C.C16CCCO1.N245.CO3.C47.C56 |
1935722 | CNC(=O)c1[nH]nc2c1CN(Cc1coc(-c3ccccc3)n1)CC2 | [C][N][C][=Branch1][C][=O][C][NH1][N][=C][C][=Ring1][Branch1][C][N][Branch2][Ring1][Ring1][C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][C][Ring2][Ring1][C] | c16[nH]nc2c1CN5CC2.c17coc8n1.c18ccccc1.C46=O.CN4.C57 |
1935723 | COCC1(NC(=O)Cn2ccccc2=O)CCCC1 | [C][O][C][C][Branch1][S][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][C][C][C][Ring1][S] | n16ccccc1=O.C157CCCC1.C3(=O)C6.CO4.C47.N35 |
1935724 | CC(C)n1cc(NC(=O)NCCc2nc3ccccc3o2)cn1 | [C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=N][Ring2][Ring1][Ring2] | c19nc2ccccc2o1.n18cc7cn1.CC8C.C45=O.C6C9.N47.N56 |
1935725 | Cc1nc(C)c(CC(=O)NC(C)C2=CCCCC2)s1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][C][C][C][Ring1][=Branch1][S][Ring2][Ring1][C] | C4(C)C1=CCCCC1.Cc1nc(C)c5s1.C5C3=O.N34 |
1935726 | O=C(CCCc1cn[nH]c1)N1CCCC(c2cc(=O)[nH]cn2)C1 | [O][=C][Branch1][O][C][C][C][C][C][=N][NH1][C][=Ring1][Branch1][N][C][C][C][C][Branch1][N][C][=C][C][=Branch1][C][=O][NH1][C][=N][Ring1][#Branch1][C][Ring1][=N] | N13CCCC5C1.c15cc(=O)[nH]cn1.O=C3CCC4.c14cn[nH]c1 |
1935727 | CC(=O)N1CCN(C(=O)Cn2ccc3ccccc32)CC(O)C1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Branch1][C][O][C][Ring2][Ring1][Ring2] | N14CCN5CC(O)C1.n16ccc2ccccc21.C5(=O)C6.CC4=O |
1935728 | COc1cccc(C2CCN2C(=O)Cn2nc(C)c(C)c2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | n15nc(C)c(C)c1C.c14cccc6c1.C16CCN13.C3(=O)C5.CO4 |
1935729 | CCOc1ccc2nc(CN(C)C(C)Cc3cnccn3)ccc2c1 | [C][C][O][C][=C][C][=C][N][=C][Branch2][Ring1][Ring1][C][N][Branch1][C][C][C][Branch1][C][C][C][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2nc8ccc2c1.c19cnccn1.C7(C)C9.N67C.CC4.O45.C68 |
1935730 | Cc1nn(CC(=O)N(Cc2ccccn2)Cc2ccco2)c(C)c1C | [C][C][=N][N][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1][C] | Cc1nn6c(C)c1C.c17ccccn1.c18ccco1.C6C3=O.N345.C47.C58 |
1935731 | Cc1nc(N(C)C)ncc1C(=O)N1CC2C3CCC(C3)C2C1 | [C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][#Branch2] | N14CC2C3CCC(C3)C2C1.Cc1nc5ncc16.N5(C)C.C46=O |
1935732 | COCC1(C(=O)NC(c2cccnc2)c2ccc(C)cc2C)CCC1 | [C][O][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][C][C][Ring2][Ring1][=Branch1] | c19ccc(C)cc1C.c18cccnc1.C167CCC1.C36=O.C589.CO4.C47.N35 |
1935733 | Fc1cccc(Cl)c1CN1CCCC(c2ccncn2)C1 | [F][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][N][C][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][Ring1][N] | Fc1cccc(Cl)c14.N13CCCC5C1.c15ccncn1.C34 |
1935734 | CC(Cc1ccsc1)NC(=O)CCc1n[nH]c2c1CCCC2 | [C][C][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c15n[nH]c2c1CCCC2.c16ccsc1.C3(=O)CC5.CC4C6.N34 |
1935735 | O=C(NC(c1ccccn1)C(F)(F)F)c1c[nH]nn1 | [O][=C][Branch2][Ring1][Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][NH1][N][=N][Ring1][Branch1] | C35C(F)(F)F.c15ccccn1.c14c[nH]nn1.O=C24.N23 |
1935736 | CCc1cc(CC)c(NC(=O)NCc2noc(C3CC3)n2)c(CC)c1 | [C][C][C][=C][C][Branch1][Ring1][C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][Branch1][Ring1][C][C][=C][Ring2][Ring1][#Branch1] | c19cc%10c7c%11c1.c18noc%12n1.C45=O.C1%12CC1.CC9.C%10C.N47.N56.C68.C%11C |
1935737 | CCSc1ncc(CN(C)CCN2CCCCC2=O)cn1 | [C][C][S][C][=N][C][=C][Branch1][P][C][N][Branch1][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=N][Ring2][Ring1][C] | c18ncc7cn1.N16CCCCC1=O.N34C.C4C6.CC5.S58.C37 |
1935738 | COc1c[nH]c(C(=O)N2CCCC2c2ccccc2C)cc1=O | [C][O][C][=C][NH1][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring2][Ring1][Ring2][=O] | c14c[nH]c5cc1=O.c16ccccc1C.N13CCCC16.C35=O.CO4 |
1935739 | O=C(C1CCCCn2nnnc21)N1CCN(c2nccs2)CC1 | [O][=C][Branch1][#C][C][C][C][C][C][N][N][=N][N][=C][Ring1][Branch1][Ring1][#Branch2][N][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][O] | O=C3C1CCCCn2nnnc21.N13CCN4CC1.c14nccs1 |
1935740 | CC1(O)CCN(C(=O)CCc2n[nH]c3c2CCCC3)CC1O | [C][C][Branch1][C][O][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2][O] | CC1(O)CCN4CC1O.c15n[nH]c2c1CCCC2.C4(=O)CC5 |
1935741 | O=C(NCCCn1nnc2ccccc21)c1cc(-c2ccncc2)n[nH]1 | [O][=C][Branch2][Ring1][C][N][C][C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][NH1][Ring1][O] | n16nnc2ccccc21.c15cc7n[nH]1.c17ccncc1.C4CC6.O=C35.N34 |
1935742 | O=C(C1CCOC1)N1CCN(c2ccc(F)c(Cl)c2)CC1 | [O][=C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][N][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][=C] | c14ccc(F)c(Cl)c1.N13CCN4CC1.C15CCOC1.O=C35 |
1935743 | O=C(NCCCc1ccc(O)cc1)c1ccccc1-c1ncc[nH]1 | [O][=C][Branch1][S][N][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][NH1][Ring1][Branch1] | c15ccc(O)cc1.c14ccccc16.c16ncc[nH]1.C3CC5.O=C24.N23 |
1935744 | O=C(N1CCOCC1)N1CCN(c2ncnc3[nH]cnc23)CC(O)C1 | [O][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Branch1][C][O][C][Ring1][P] | N15CCN6CC(O)C1.c16ncnc2[nH]cnc12.N14CCOCC1.O=C45 |
1935745 | O=C(c1cnc(N2CCCC2)nc1)N1CCCC1c1ccccc1 | [O][=C][Branch2][Ring1][C][C][=C][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][Ring1][O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cnc4nc1.N13CCCC16.c16ccccc1.N14CCCC1.O=C35 |
1935747 | Cc1nc(C2CC2)ncc1C(=O)NCc1ccsc1 | [C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=C][S][C][=Ring1][Branch1] | Cc1nc7ncc15.c16ccsc1.C17CC1.C35=O.N34.C46 |
1935748 | CCc1nc(C)sc1CNC(=O)Nc1cc(C2CC2)nn1C | [C][C][C][N][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Ring1][Branch2][C] | c17nc(C)sc18.c16cc9nn1C.C34=O.C19CC1.CC7.C58.N35.N46 |
1935749 | O=C(C1CCOC1)N1CCN(Cc2ccco2)CC1 | [O][=C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][N][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N] | N13CCN4CC1.C15CCOC1.c16ccco1.O=C35.C46 |
1935750 | COCc1cc(-c2ccc(-n3cccn3)cc2)ncn1 | [C][O][C][C][=C][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][=N][C][=N][Ring1][P] | c15cc7ncn1.c17ccc6cc1.n16cccn1.CO4.C45 |
1935751 | Cc1ccsc1CN(C)C(=O)c1ccc(-n2cnnc2)nc1 | [C][C][C][=C][S][C][=Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][N][=C][Ring1][O] | c15ccc7nc1.Cc1ccsc16.n17cnnc1.N34C.C35=O.C46 |
1935752 | COc1ccc(-c2cncc(C(=O)N3CCCC3)n2)c(C)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][N][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | c15ccc7c(C)c1.c17cncc6n1.N14CCCC1.C46=O.CO5 |
1935753 | O=C(NCCNC(=O)c1cc(-c2ccccn2)n[nH]1)c1cccnc1 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][NH1][Ring1][O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17cc9n[nH]1.c19ccccn1.c18cccnc1.O=C38.C5C6.C47=O.N35.N46 |
1935754 | Cc1nnsc1CNC(=O)Nc1ccc(N2C(=O)CCC2C)cc1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][=C][Ring1][=N] | c16ccc8cc1.N18C(=O)CCC1C.Cc1nnsc17.C34=O.C57.N35.N46 |
1935755 | CCN(Cc1nc2ccccc2[nH]1)C1COCC1O | [C][C][N][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][O][C][C][Ring1][Branch1][O] | c16nc2ccccc2[nH]1.C15COCC1O.N345.CC3.C46 |
1935756 | O=C(NCCNC(=O)c1cn2ccsc2n1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][N][C][=Branch1][C][=O][C][=C][N][C][=C][S][C][Ring1][Branch1][=N][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17cn2ccsc2n1.c18ccc(F)cc1.O=C38.C5C6.C47=O.N35.N46 |
1935757 | CS(=O)(=O)N1CCN(C(=O)CCc2n[nH]c3c2CCCC3)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | c16n[nH]c2c1CCCC2.N15CCN4CC1.C4(=O)CC6.CS5(=O)=O |
1935758 | Cc1cc(C(=O)N2CCNC(c3ccccc3)C2)cc(C)n1 | [C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=C][C][Branch1][C][C][=N][Ring2][Ring1][Branch1] | Cc1cc5cc(C)n1.N14CCNC6C1.c16ccccc1.C45=O |
1935759 | Cc1ncc(C(C)C)c(-c2ccc3c(c2)OCCO3)n1 | [C][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | c15ccc2c(c1)OCCO2.Cc1ncc4c5n1.C4(C)C |
1935760 | c1cnn(Cc2ncnn2-c2ccc3c(c2)OCCO3)n1 | [C][C][=N][N][Branch2][Ring1][=Branch2][C][C][=N][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][N][=Ring2][Ring1][Branch1] | c16ccc2c(c1)OCCO2.c15ncnn16.c1cnn4n1.C45 |
1935761 | O=C(C1CCCCn2nnnc21)N1CC2CC=CCC2C1 | [O][=C][Branch1][#C][C][C][C][C][C][N][N][=N][N][=C][Ring1][Branch1][Ring1][#Branch2][N][C][C][C][C][=C][C][C][Ring1][=Branch1][C][Ring1][=Branch2] | O=C3C1CCCCn2nnnc21.N13CC2CC=CCC2C1 |
1935762 | Cc1ncncc1C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 | [C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C] | Cc1ncncc18.C16CCN4CC1.C17CCCCC1.C38=O.C45=O.N36.N57 |
1935764 | CCOc1ncccc1CNC(=O)C1CCCCn2nnnc21 | [C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][C][N][N][=N][N][=C][Ring1][Branch1][Ring1][#Branch2] | C3(=O)C1CCCCn2nnnc21.c15ncccc17.CC4.O45.C67.N36 |
1935765 | CCc1noc(CN(C(=O)c2ccc(-c3cc[nH]n3)cc2)C(C)C)n1 | [C][C][C][=N][O][C][Branch2][Ring1][S][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][C][=C][Ring1][O][C][Branch1][C][C][C][=N][Ring2][Ring1][#Branch1] | c17ccc%10cc1.c18noc9n1.c1%10cc[nH]n1.N456.C47=O.C6(C)C.CC8.C59 |
1935766 | COC1CCCOC12CCN(C(=O)c1cc3ncccn3n1)CC2 | [C][O][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][N][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][C][C][Ring1][P] | C15CCCOC12CCN4CC2.c16cc2ncccn2n1.C46=O.CO5 |
1935768 | Cc1nn(C)cc1CN1CCN(c2nc3ccccc3o2)CC1 | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][#C] | c15nc2ccccc2o1.Cc1nn(C)cc16.N14CCN5CC1.C46 |
1935769 | Cc1cc(C)n(C(C)CNC(=O)c2ccc3nccnc3c2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch2][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][=Ring2][Ring1][=Branch1] | c16ccc2nccnc2c1.Cc1cc(C)n7n1.C7(C)C5.C46=O.N45 |
1935770 | CCCN1C(=O)C2CCC1CN(C(=O)c1oc(CC)nc1C)C2 | [C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C][O][C][Branch1][Ring1][C][C][=N][C][=Ring1][#Branch1][C][C][Ring1][P] | N15C(=O)C2CCC1CN3C2.c14oc6nc1C.CCC5.C34=O.C6C |
1935771 | O=C1CC(C(=O)N2CCC(Oc3ncccn3)CC2)C2(CCCC2)O1 | [O][=C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][O][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][Ring2][Ring1][Branch2] | O=C1CC7C2(CCCC2)O1.N14CCC6CC1.c15ncccn1.C47=O.O56 |
1935772 | O=C(c1cncc(-c2cccc(O)c2)n1)N1CCCC1 | [O][=C][Branch2][Ring1][=Branch1][C][=C][N][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=N][Ring1][=N][N][C][C][C][C][Ring1][Branch1] | c14cncc5n1.c15cccc(O)c1.N13CCCC1.O=C34 |
1935773 | Cc1nc(N(C)C)ncc1C(=O)N1CCc2ccc(F)cc2C1C | [C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][O][C] | N13CCc2ccc(F)cc2C1C.Cc1nc4ncc15.N4(C)C.C35=O |
1935774 | Cc1nc[nH]c1C(=O)NCCc1cc(F)cc(F)c1 | [C][C][N][=C][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c15cc(F)cc(F)c1.Cc1nc[nH]c14.C24=O.C3C5.N23 |
1935775 | O=C(NCCNc1cccnc1)c1c[nH]c(=O)c2ccccc12 | [O][=C][Branch1][=N][N][C][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c17c[nH]c(=O)c2ccccc12.c16cccnc1.O=C37.C4C5.N34.N56 |
1935776 | CC1(O)CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1O | [C][C][Branch1][C][O][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][C][Ring2][Ring1][=Branch1][O] | CC1(O)CCN4CC1O.c17cccc5c1.c16ccccc1.C47=O.O56 |
1935777 | O=C(NCC1CCCO1)Nc1cc2c(cc1-n1ccnc1)OCCO2 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][N][C][=C][C][=C][Branch1][N][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][O][C][C][O][Ring1][=N] | c16cc2c(cc18)OCCO2.C17CCCO1.n18ccnc1.O=C34.N35.C57.N46 |
1935778 | Cc1nc(C2CC2)ncc1C(=O)NCCOCc1ccc(Cl)cc1 | [C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1nc9ncc17.c18ccc(Cl)cc1.C19CC1.C37=O.C6C4.N36.O45.C58 |
1935779 | CN1CCN(C(=O)c2ccnc(C=CC(C)(C)C)c2)CC1 | [C][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][O][C][=C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][N][C][C][Ring2][Ring1][Ring2] | c14ccnc(C=5)c1.CN1CCN3CC1.C=5C(C)(C)C.C34=O |
1935780 | CSc1ccc(CN2CCCC(c3ccncn3)C2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring1][Ring1] | c16ccc5cc1.N14CCCC7C1.c17ccncn1.CS6.C45 |
1935781 | CCCOc1ccc(Cl)cc1CNC(=O)CN1CCCCC1=O | [C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | c14ccc(Cl)cc17.N16CCCCC1=O.C2(=O)C6.CCC3.O34.C57.N25 |
1935782 | Cc1cnc(CNC(=O)CCc2nc(-c3ccncc3)no2)cn1 | [C][C][=C][N][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=N][Ring2][Ring1][#Branch1] | Cc1cnc6cn1.c17nc8no1.c18ccncc1.C4(=O)CC7.C56.N45 |
1935783 | CNc1ncccc1C(=O)N1CCN(Cc2ccoc2)C(CCO)C1 | [C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][Branch1][Ring2][C][C][O][C][Ring1][#C] | N13CCN4C7C1.c15ncccc16.c18ccoc1.C36=O.C7CO.CN5.C48 |
1935784 | Cc1nc2ccccc2nc1CN(C)Cc1noc(C2CCC2)n1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][N][Branch1][C][C][C][C][=N][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][=N][Ring1][=Branch2] | Cc1nc2ccccc2nc15.c16noc7n1.C17CCC1.N34C.C35.C46 |
1935785 | CCc1cc(C(=O)N2CCCCC2CCc2cccs2)cc(=O)[nH]1 | [C][C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][C][=C][C][=C][S][Ring1][Branch1][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch1] | c16cc4cc(=O)[nH]1.N13CCCCC15.c17cccs1.C34=O.C5C7.CC6 |
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