ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1923675 | NC(=O)Cc1ccccc1OCc1coc(-c2c(F)cccc2F)n1 | [N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][O][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][Ring1][=N] | c17c(F)cccc1F.c16ccccc14.c15coc7n1.NC(=O)C6.O34.C35 |
1923676 | NC(=O)Cc1ccccc1OCc1noc(C2CCCCC2)n1 | [N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][O] | c16ccccc14.c15noc7n1.C17CCCCC1.NC(=O)C6.O34.C35 |
1923677 | NC(=O)Cc1ccccc1OCC(=O)N1CCCCC1 | [N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c15ccccc14.N12CCCCC1.NC(=O)C5.C3C2=O.O34 |
1923678 | Cn1cnn(CC(=O)N2CCc3sccc3C2)c1=O | [C][N][C][=N][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][P][=O] | N14CCc2sccc2C1.Cn1cnn5c1=O.C5C4=O |
1923679 | Cn1cnn(Cc2nnc(-c3cccs3)o2)c1=O | [C][N][C][=N][N][Branch2][Ring1][C][C][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][C][Ring1][S][=O] | Cn1cnn4c1=O.c15nnc6o1.c16cccs1.C45 |
1923680 | CC(=O)N(c1nc(-c2nc3ccc(F)cc3n2C)cs1)C1CC1 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][N][C][=N][C][Branch2][Ring1][C][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][=C][S][Ring1][S][C][C][C][Ring1][Ring1] | c17nc2ccc(F)cc2n1C.c15nc7cs1.CC4=O.N456.C16CC1 |
1923681 | COC(=O)c1ccc2c(c1)nc(-c1ccc(-n3cncn3)cc1)n2C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][N][Ring1][P][C] | c15ccc2c(c1)nc7n2C.c17ccc6cc1.n16cncn1.C45=O.CO4 |
1923682 | CC1(NC(=O)Nc2nc(-c3cccc(F)c3)cs2)CCOCC1 | [C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][S][Ring1][N][C][C][O][C][C][Ring2][Ring1][=Branch1] | CC16CCOCC1.c18cccc(F)c1.c17nc8cs1.C45=O.N46.N57 |
1923683 | Cn1ncc(NC(=O)Nc2ccc(F)cc2)c1C(F)F | [C][N][N][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][S][C][Branch1][C][F][F] | Cn1ncc5c17.c16ccc(F)cc1.C34=O.C7(F)F.N35.N46 |
1923684 | Cc1[nH]c(-c2cccc(Cl)c2)nc1C(=O)N(C)Cc1ccccn1 | [C][C][NH1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][=Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1[nH]c7nc15.c17cccc(Cl)c1.c16ccccn1.C35=O.N34C.C46 |
1923686 | Cc1cc(CNC(=O)NCc2cnn(C)c2C)c(C)s1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Branch1][C][C][S][Ring2][Ring1][Ring1] | Cc1cc7c(C)s1.c18cnn(C)c1C.C34=O.C57.N35.N46.C68 |
1923687 | CNC(=O)C1CCCCC1NC(=O)NCc1nc(C)sc1C | [C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][N][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C] | C17CCCCC16.c18nc(C)sc1C.C27=O.C34=O.CN2.N36.N45.C58 |
1923688 | O=C(c1cc(C2CCCCC2)n[nH]1)N1CCCCC1C1OCCO1 | [O][=C][Branch2][Ring1][C][C][=C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][NH1][Ring1][O][N][C][C][C][C][C][Ring1][=Branch1][C][O][C][C][O][Ring1][Branch1] | N13CCCCC1C1OCCO1.c14cc5n[nH]1.C15CCCCC1.O=C34 |
1923689 | Cc1c(CCC(=O)N(Cc2ccco2)c2cccc(F)c2)cnn1C | [C][C][=C][Branch2][Ring1][=N][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=N][N][Ring2][Ring1][#Branch1][C] | Cc1c7cnn1C.c15cccc(F)c1.C7CC3=O.c16ccco1.N345.C46 |
1923690 | CC(C)n1ncc2c(=O)[nH]c(C=Cc3cc(C#N)cs3)nc21 | [C][C][Branch1][C][C][N][N][=C][C][C][=Branch1][C][=O][NH1][C][Branch1][=C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][S][Ring1][#Branch1][=N][C][=Ring1][S][Ring2][Ring1][Ring1] | n15ncc2c(=O)[nH]c(C=4)nc21.C=4c1cc(C#N)cs1.CC5C |
1923691 | O=C(CN1CCN(C(=O)c2cnc3ccc(F)cc3c2)CC1)C1CC1 | [O][=C][Branch2][Ring2][Ring1][C][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][C][F][=C][C][Ring1][#Branch1][=C][Ring1][O][C][C][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1] | c17cnc2ccc(F)cc2c1.N15CCN4CC1.O=C6C5.C47=O.C16CC1 |
1923692 | C=CC(CC(=O)N1CCC(=O)Nc2ccccc21)c1ccccc1 | [C][=C][C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CCC(=O)Nc2ccccc21.C=CC4CC3=O.c14ccccc1 |
1923694 | Cc1nsc(NC(=O)C2COc3ccc(Br)cc32)n1 | [C][C][=N][S][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][#Branch2][=N][Ring2][Ring1][C] | C4(=O)C1COc2ccc(Br)cc21.Cc1nsc5n1.N45 |
1923695 | CC(=O)NC(C)(C)c1noc(-c2cnn(CC(C)C)c2C(F)F)n1 | [C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][Branch1][C][C][=N][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Ring1][=Branch2][C][Branch1][C][F][F][=N][Ring1][P] | c18cnn5c17.c16noc8n1.C46(C)C.C5C(C)C.CC3=O.C7(F)F.N34 |
1923696 | COC(C)(C)c1noc(-c2cnn(CC(C)C)c2C(F)F)n1 | [C][O][C][Branch1][C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][Branch1][C][C][=N][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Ring1][=Branch2][C][Branch1][C][F][F][=N][Ring1][P] | c17cnn4c16.c15noc7n1.C35(C)C.C4C(C)C.C6(F)F.CO3 |
1923698 | Cc1nc2ccc(N(C)C(=O)c3ccnc(OCC(F)F)c3)cc2[nH]1 | [C][C][=N][C][=C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][O][C][C][Branch1][C][F][F][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][NH1][Ring2][Ring1][Branch2] | Cc1nc2ccc7cc2[nH]1.c18ccnc6c1.C5C(F)F.N47C.C48=O.O56 |
1923699 | COC(=O)CN(CC(C)C)C(=O)c1cnc2ccc(F)cc2c1 | [C][O][C][=Branch1][C][=O][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][C][F][=C][C][Ring1][#Branch1][=C][Ring1][O] | c17cnc2ccc(F)cc2c1.C3(=O)C5.C6C(C)C.N456.C47=O.CO3 |
1923700 | CN(Cc1cccn1C)C(=O)C1CC(=O)N(C)C1c1ccc(F)cc1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C14CC(=O)N(C)C16.c16ccc(F)cc1.c15cccn1C.CN23.C24=O.C35 |
1923701 | Cc1c(CCNC(=O)CCn2ccc3cc(Cl)ccc32)cnn1C | [C][C][=C][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][=N][N][Ring2][Ring1][=Branch1][C] | n16ccc2cc(Cl)ccc21.Cc1c7cnn1C.C4(=O)CC6.C7C5.N45 |
1923703 | Cc1nc(CNC(=O)NC2CCc3c(O)cccc32)c(C)s1 | [C][C][=N][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][=C][Branch1][C][C][S][Ring2][Ring1][Branch1] | N5C1CCc2c(O)cccc21.Cc1nc7c(C)s1.C45=O.C67.N46 |
1923704 | O=C(NCC(O)c1ccncc1)c1c[nH]c2ccccc12 | [O][=C][Branch1][#C][N][C][C][Branch1][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c15c[nH]c2ccccc12.c16ccncc1.C4C6O.O=C35.N34 |
1923705 | Cc1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3C)c(N(C)C)n1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring2][Ring1][Branch2] | c17ccc2c(c1)CCC(=O)N2C.Cc1ccc6c5n1.C47=O.N5(C)C.N46 |
1923706 | O=C(NCC1(C(O)c2ccccc2)CC1)c1c[nH]c2ccccc12 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][=N][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c15c[nH]c2ccccc12.c18ccccc1.C167CC1.O=C35.C78O.N34.C46 |
1923707 | Cc1cc(NC(=O)c2c[nH]c3ccccc23)c[nH]c1=O | [C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][NH1][C][Ring2][Ring1][C][=O] | c16c[nH]c2ccccc12.Cc1cc5c[nH]c1=O.C46=O.N45 |
1923708 | O=C(Nc1cc(F)ccc1O)c1sccc1-n1cnnn1 | [O][=C][Branch1][=C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][S][C][=C][C][=Ring1][Branch1][N][C][=N][N][=N][Ring1][Branch1] | c13cc(F)ccc1O.c14sccc15.n15cnnn1.O=C24.N23 |
1923709 | Cc1nn2cccnc2c1C(=O)Nc1cc(C(F)(F)F)ccc1O | [C][C][=N][N][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][O] | Cc1nn2cccnc2c15.c14cc6ccc1O.C6(F)(F)F.C35=O.N34 |
1923711 | O=C(Nc1ccc(CN2CCOCC2)cn1)c1ccncc1Cl | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][=N][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl] | c15ccc7cn1.c16ccncc1Cl.N14CCOCC1.O=C36.N35.C47 |
1923712 | O=C(Cc1cccnc1)Nc1ccc2[nH]c(C(F)F)nc2c1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][NH1][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][C][Ring1][Branch2][=C][Ring1][N] | c14ccc2[nH]c5nc2c1.c16cccnc1.O=C3C6.C5(F)F.N34 |
1923713 | Cc1ncsc1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][C][Ring1][Branch2][=C][Ring1][N] | c14ccc2[nH]c6nc2c1.Cc1ncsc15.C35=O.C6(F)F.N34 |
1923715 | O=C(CCC1CCCO1)Nc1ccc2[nH]c(C(F)F)nc2c1 | [O][=C][Branch1][#Branch2][C][C][C][C][C][C][O][Ring1][Branch1][N][C][=C][C][=C][NH1][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][C][Ring1][Branch2][=C][Ring1][N] | c14ccc2[nH]c6nc2c1.O=C3CC5.C15CCCO1.C6(F)F.N34 |
1923716 | Cc1ncc(S(=O)(=O)NCc2cccc(Cn3ccnc3)c2)[nH]1 | [C][C][=N][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][N][NH1][Ring2][Ring1][=Branch1] | Cc1ncc(S5(=O)=O)[nH]1.c17cccc8c1.n16ccnc1.N45.C47.C68 |
1923717 | CC=Cc1cc(C(=O)NCc2nc(C)sc2C)cc(OC)c1OC | [C][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | C=8c1cc7cc4c15.c19nc(C)sc1C.C37=O.CC=8.N36.C69.O4C.O5C |
1923718 | O=C(OCc1nc(-c2ccsc2)no1)C1CCCc2cn[nH]c21 | [O][=C][Branch2][Ring1][Ring1][O][C][C][=N][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][O][Ring1][#Branch2][C][C][C][C][C][C][=N][NH1][C][=Ring1][Branch1][Ring1][=Branch2] | O=C3C1CCCc2cn[nH]c21.c15nc6no1.c16ccsc1.O34.C45 |
1923719 | Cc1oc(-c2cccs2)nc1COC(=O)c1ccnnc1 | [C][C][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring1][#Branch2][C][O][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1] | Cc1oc7nc16.c15ccnnc1.c17cccs1.C35=O.C46.O34 |
1923720 | C=CCNC(=O)C(C)OC(=O)c1cccc(C2OCCO2)c1 | [C][=C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][C][O][C][C][O][Ring1][Branch1][=C][Ring1][O] | c17cccc8c1.C4(=O)C5C.C18OCCO1.C=CC6.C37=O.N46.O35 |
1923723 | O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NC1(CO)CCCC1 | [O][=C][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][F][C][=C][Ring1][N][N][C][Branch1][Ring1][C][O][C][C][C][C][Ring1][#Branch1] | c15ccc(S(=O)(=O)C(F)F)cc1.C134CCCC1.O=C2C5.N23.C4O |
1923724 | CC=Cc1ccc(OCC(=O)N2CC(CO)CCC2C)c(OC)c1 | [C][C][=C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][C][C][C][Ring1][Branch2][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | C=7c1ccc5c6c1.N13CC8CCC1C.C4C3=O.CC=7.O45.C8O.O6C |
1923725 | CC(C)n1ncc2c(=O)[nH]c(C=CC=Cc3ccc(C#N)cc3)nc21 | [C][C][Branch1][C][C][N][N][=C][C][C][=Branch1][C][=O][NH1][C][Branch1][P][C][=C][C][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][C][=Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1] | n16ncc2c(=O)[nH]c(C=4)nc21.C=5c1ccc(C#N)cc1.CC6C.C=4C=5 |
1923726 | O=C(Cn1cnc(C2CCC2)cc1=O)Nc1ccc2ccccc2c1 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][=C][C][Ring1][#Branch2][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c14ccc2ccccc2c1.n15cnc6cc1=O.O=C3C5.C16CCC1.N34 |
1923727 | O=C(Nc1nnc(-c2cccnc2)s1)c1scnc1C1CC1 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O][C][S][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1] | c14nnc7s1.c17cccnc1.c15scnc16.O=C35.C16CC1.N34 |
1923729 | O=C(Nc1ccc(OCC2CCOC2)cc1)c1scnc1C1CC1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][C][O][C][Ring1][Branch1][C][=C][Ring1][=N][C][S][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1] | c16ccc5cc1.c17scnc19.C18CCOC1.O=C37.C19CC1.N36.O45.C48 |
1923730 | CN(C(=O)c1ccc(-n2ccnn2)cc1)C1CC1c1ccccc1 | [C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc6cc1.c17ccccc1.n16ccnn1.C14CC17.CN34.C35=O |
1923731 | O=C(c1scnc1C1CC1)N1CCC(Sc2ccccn2)CC1 | [O][=C][Branch1][=N][C][S][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][N][C][C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N] | N13CCC6CC1.c14scnc17.c15ccccn1.O=C34.C17CC1.S56 |
1923732 | COc1c(Cl)cc(NC(=O)Nc2c(C)n[nH]c2C)cc1Cl | [C][O][C][=C][Branch1][C][Cl][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][C][Cl] | c15c(Cl)cc6cc1Cl.c17c(C)n[nH]c1C.C34=O.CO5.N36.N47 |
1923733 | O=C(OCc1cccnc1-n1cccn1)c1scnc1C1CC1 | [O][=C][Branch2][Ring1][C][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1][C][S][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1] | c15cccnc16.c14scnc17.n16cccn1.O=C24.C17CC1.O23.C35 |
1923734 | Cc1cc(=O)c(C(=O)Oc2ccc3nccnc3c2)c[nH]1 | [C][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][NH1][Ring2][Ring1][Ring2] | c15ccc2nccnc2c1.Cc1cc(=O)c6c[nH]1.C46=O.O45 |
1923735 | CC(O)(CNC(=O)C1CCCN1C(=O)c1ccco1)C(F)(F)F | [C][C][Branch1][C][O][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F] | CC(O)(C4)C(F)(F)F.C15CCCN13.c16ccco1.C25=O.C36=O.N24 |
1923736 | CNC(=O)NCC(=O)Nc1ccc(C)c2ncccc12 | [C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c17ccc(C)c2ncccc12.C6C5=O.C34=O.CN3.N46.N57 |
1923737 | CCOc1ccc(-c2nnc(NCc3ccco3)o2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][N][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C] | c15ccc9cc1.c19nnc7o1.c18ccco1.CC4.O45.N67.C68 |
1923740 | c1ccc(CNc2nc(-c3cccnc3)no2)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c1ccc6cc1.c15nc7no1.c17cccnc1.C46.N45 |
1923742 | Fc1ccc(CNc2nc(-c3cccnc3)no2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | Fc1ccc6cc1.c15nc7no1.c17cccnc1.C46.N45 |
1923743 | COc1cccc(CNc2nc(-c3cccnc3)no2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring1][O][C] | c14cccc8c15.c17nc9no1.c19cccnc1.CO4.C68.N67.O5C |
1923744 | CCc1c(NCc2cc(OC)c3c(c2)OCO3)cnn1CC(C)C | [C][C][C][=C][Branch2][Ring1][=Branch1][N][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][O][Ring1][=Branch1][C][=N][N][Ring2][Ring1][C][C][C][Branch1][C][C][C] | c19cc4c2c(c1)OCO2.c18c6cnn17.C7C(C)C.CC8.N56.C59.O4C |
1923746 | Cc1ccoc1C(=O)NC(c1ccc(Cl)cc1)c1ncon1 | [C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][=C][O][N][=Ring1][Branch1] | c16ccc(Cl)cc1.Cc1ccoc14.c15ncon1.C24=O.C356.N23 |
1923747 | COCC(O)CNC(=O)C1(c2ccc(F)cc2F)CCCC1 | [C][O][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][C][C][Ring1][=N] | c17ccc(F)cc1F.C167CCCC1.C4C(O)C5.C36=O.CO4.N35 |
1923748 | Cc1cnc2c(c1)N(C(=O)c1cc3ccccc3oc1=O)CCO2 | [C][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][C][O][Ring2][Ring1][Ring2] | Cc1cnc2c(c1)N4CCO2.c15cc2ccccc2oc1=O.C45=O |
1923749 | O=C(NC(CCO)c1cccs1)c1ccn(C2CCCC2)n1 | [O][=C][Branch1][#C][N][C][Branch1][Ring2][C][C][O][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][=Ring1][#Branch2] | c15ccn7n1.C46CCO.c16cccs1.C17CCCC1.O=C35.N34 |
1923750 | O=C(NC(CCO)c1cccs1)c1ccncc1Cl | [O][=C][Branch1][#C][N][C][Branch1][Ring2][C][C][O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl] | c14ccncc1Cl.C35CCO.c15cccs1.O=C24.N23 |
1923751 | O=C(NC(CCO)c1cccs1)c1ccncc1F | [O][=C][Branch1][#C][N][C][Branch1][Ring2][C][C][O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][F] | c14ccncc1F.C35CCO.c15cccs1.O=C24.N23 |
1923752 | Cc1cscc1C(=O)NC(CCO)c1cccs1 | [C][C][=C][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring2][C][C][O][C][=C][C][=C][S][Ring1][Branch1] | Cc1cscc14.C35CCO.c15cccs1.C24=O.N23 |
1923753 | CCC1(NC(=O)c2nc(-c3ccco3)sc2C)CCOCC1 | [C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][S][C][=Ring1][#Branch2][C][C][C][O][C][C][Ring2][Ring1][Ring2] | C157CCOCC1.c16nc8sc1C.c18ccco1.C46=O.CC7.N45 |
1923754 | CNC(=O)NCC(=O)NC1(c2cccc(Cl)c2)CCCC1 | [C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c18cccc(Cl)c1.C178CCCC1.C6C5=O.C34=O.CN3.N46.N57 |
1923755 | Cc1cscc1C(=O)NC1CCCN(Cc2ccccc2)C1=O | [C][C][=C][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] | C14CCCN6C1=O.Cc1cscc15.c17ccccc1.C35=O.N34.C67 |
1923756 | Cc1ocnc1C(=O)NC(C)CCc1ccc(O)cc1 | [C][C][O][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c15ccc(O)cc1.Cc1ocnc14.C3(C)CC5.C24=O.N23 |
1923758 | COc1cc(CN(C(=O)c2ccc3[nH]ncc3c2)C2CC2)ccc1O | [C][O][C][=C][C][Branch2][Ring1][N][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1][=C][C][=C][Ring2][Ring1][=Branch1][O] | c18ccc2[nH]ncc2c1.c15cc9ccc1O.N467.C48=O.C17CC1.CO5.C69 |
1923759 | O=C(Cc1ccc(O)cc1)N1CC(O)CC1C1CCCCC1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][Branch1][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c13ccc(O)cc1.N12CC(O)CC14.C14CCCCC1.O=C2C3 |
1923761 | CC1CCOC1C(=O)N1CCCC1CC(=O)c1cnn(C)c1 | [C][C][C][C][O][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | CC1CCOC13.N12CCCC15.c14cnn(C)c1.C5C4=O.C23=O |
1923762 | N#Cc1ccc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][S][N][=C][Ring2][Ring1][Branch2] | c18nc2ccccc2[nH]1.N#Cc1ccc7nc1.N15CCN6CC1.C57=O.C68 |
1923763 | COc1ccc(C(=O)CNC(=O)c2ccncc2Cl)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][Ring1] | c14ccc6cc1.c17ccncc1Cl.C6(=O)C5.C37=O.CO4.N35 |
1923764 | CC(=O)c1ccccc1C(=O)NCc1ccnc(OC2CCC2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring2][=C][Ring1][O] | c17ccccc18.c19ccnc4c1.C15CCC1.CC7=O.C38=O.N36.C69.O45 |
1923765 | COCc1cc(=O)n(Cc2cccc(Br)c2C)cn1 | [C][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][=N][Ring1][S] | c15cc(=O)n4cn1.c16cccc(Br)c1C.CO3.C35.C46 |
1923766 | O=C(NC1(c2ccc(F)cc2F)CCOCC1)c1ccc[nH]1 | [O][=C][Branch2][Ring1][Branch2][N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][O][C][C][Ring1][=C][C][=C][C][=C][NH1][Ring1][Branch1] | c16ccc(F)cc1F.C146CCOCC1.c15ccc[nH]1.O=C35.N34 |
1923767 | O=C(NC1CCCCC1OC1CCCC1)c1csnn1 | [O][=C][Branch2][Ring1][C][N][C][C][C][C][C][C][Ring1][=Branch1][O][C][C][C][C][C][Ring1][Branch1][C][=C][S][N][=N][Ring1][Branch1] | C15CCCCC13.C14CCCC1.c16csnn1.O=C26.N25.O34 |
1923768 | CC(Cc1nc(-c2ccccc2)no1)NC(=O)c1ccn2cncc2c1 | [C][C][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][N][C][=Branch1][C][=O][C][C][=C][N][C][=N][C][=C][Ring1][Branch1][C][=Ring1][=Branch2] | c15ccn2cncc2c1.c16nc7no1.c17ccccc1.CC4C6.C35=O.N34 |
1923769 | COc1cc(NC(=O)N(C)Cc2cccc(F)c2)ncn1 | [C][O][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][=N][Ring2][Ring1][Ring1] | c15cc7ncn1.c18cccc(F)c1.C34=O.N46C.CO5.N37.C68 |
1923770 | Cn1cc(C(=O)NCC2(c3ccc(F)cc3F)CC2)cn1 | [C][N][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring1][O][C][=N][Ring2][Ring1][Ring2] | c18ccc(F)cc1F.Cn1cc6cn1.C178CC1.C46=O.N45.C57 |
1923771 | COC(=O)C(NC(=O)c1cc(Cl)c[nH]1)c1ccc(F)cc1F | [C][O][C][=Branch1][C][=O][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][NH1][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c16ccc(F)cc1F.c15cc(Cl)c[nH]1.C2(=O)C46.C35=O.CO2.N34 |
1923772 | O=C(Nc1c[nH]cc(Br)c1=O)c1csnn1 | [O][=C][Branch1][=C][N][C][=C][NH1][C][=C][Branch1][C][Br][C][Ring1][#Branch1][=O][C][=C][S][N][=N][Ring1][Branch1] | c13c[nH]cc(Br)c1=O.c14csnn1.O=C24.N23 |
1923773 | Cc1nnnn1C(Cc1cccc(F)c1)C(=O)NCC(=O)C(C)(C)C | [C][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C] | c15cccc(F)c1.C3C(=O)C(C)(C)C.Cc1nnnn14.C4(C5)C2=O.N23 |
1923774 | CC(C(=O)Nc1cccc(-c2cn[nH]c2)c1)n1cnc2ccccc21 | [C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n15cnc2ccccc21.c14cccc6c1.CC5C3=O.c16cn[nH]c1.N34 |
1923775 | OCCC1COCCN1Cc1nc(-c2ccc(Cl)cc2)no1 | [O][C][C][C][C][O][C][C][N][Ring1][=Branch1][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][N] | C14COCCN13.c16ccc(Cl)cc1.c15nc6no1.OCC4.C35 |
1923776 | CCOc1ccccc1NC(=O)C1CCC(=O)CC1C | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1][C] | C16CCC(=O)CC1C.c14ccccc15.C26=O.CC3.O34.N25 |
1923779 | CCS(=O)(=O)c1cccc(C(=O)N(C)Cc2cscn2)c1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][S][C][=N][Ring1][Branch1][=C][Ring1][S] | CCS(=O)(=O)c1cccc5c1.c16cscn1.C35=O.N34C.C46 |
1923781 | CC1CN(C(=O)NCCc2cnn(C)c2)CCN1CC(F)(F)F | [C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][N][Ring1][P][C][C][Branch1][C][F][Branch1][C][F][F] | CC1CN3CCN16.c17cnn(C)c1.C6C(F)(F)F.C34=O.C5C7.N45 |
1923782 | CC1CN(C(=O)NC2CCC(=O)N(C)C2)CCN1CC(F)(F)F | [C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][Branch2][C][C][N][Ring1][P][C][C][Branch1][C][F][Branch1][C][F][F] | CC1CN3CCN15.C16CCC(=O)N(C)C1.C5C(F)(F)F.C34=O.N46 |
1923783 | Cn1nncc1CNc1ccc(F)c(NC(=O)C2CCCCC2)c1 | [C][N][N][=N][C][=C][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][S] | c15ccc(F)c6c1.Cn1nncc18.C17CCCCC1.C37=O.C48.N45.N36 |
1923786 | CN(C)c1nnc(-c2ccc(NC(=O)C3CC3C3CC3)cc2)o1 | [C][N][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][C][=C][Ring1][#C][O][Ring2][Ring1][Ring2] | c18ccc6cc1.c15nnc8o1.C17CC1C1CC1.CN5C.C47=O.N46 |
1923787 | CCS(=O)(=O)c1cccc(C(=O)NC(C)c2ccoc2)c1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][O][C][=Ring1][Branch1][=C][Ring1][S] | CCS(=O)(=O)c1cccc5c1.c16ccoc1.C35=O.C46C.N34 |
1923788 | COc1ccc(C)nc1NS(=O)(=O)Cc1ccccc1 | [C][O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12ccc(C)nc14.c15ccccc1.S3(=O)(=O)C5.CO2.N34 |
1923789 | CNC(=O)c1ccc(NC(=O)c2coc3ccccc23)c(Cl)c1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1] | c18coc2ccccc12.c17ccc6c(Cl)c1.C47=O.C58=O.CN4.N56 |
1923790 | O=S(=O)(Nc1ccnn1Cc1ccccn1)c1cccnc1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][N][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=S2(=O)c1cccnc1.c13ccnn14.c15ccccn1.N23.C45 |
1923791 | Cc1cc(NC(=O)C(C)Sc2nc3ccccc3s2)c[nH]c1=O | [C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][NH1][C][Ring2][Ring1][Branch1][=O] | c17nc2ccccc2s1.Cc1cc6c[nH]c1=O.C4(=O)C5C.N46.S57 |
1923794 | CCn1cc(C(=O)NC2CCCN(c3ccccc3F)C2)cn1 | [C][C][N][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=N][C][=N][Ring2][Ring1][Branch1] | C16CCCN5C1.c15ccccc1F.n18cc7cn1.C47=O.CC8.N46 |
1923795 | O=C(NC1CCCN(c2ccccc2F)C1)c1ccncc1Cl | [O][=C][Branch2][Ring1][Branch1][N][C][C][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=N][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl] | C15CCCN4C1.c14ccccc1F.c16ccncc1Cl.O=C36.N35 |
1923796 | O=C(NC1(c2ccc(F)cc2F)CCC1)c1ccon1 | [O][=C][Branch2][Ring1][=Branch1][N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][C][Ring1][N][C][C][=C][O][N][=Ring1][Branch1] | c16ccc(F)cc1F.C146CCC1.c15ccon1.O=C35.N34 |
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