ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1922746 | Brc1cncc(NCC2CCOC2)c1 | [Br][C][=C][N][=C][C][Branch1][#Branch2][N][C][C][C][C][O][C][Ring1][Branch1][=C][Ring1][=N] | Brc1cncc4c1.C15CCOC1.N34.C35 |
1922747 | Cc1cc(C)n(CC(C)Nc2ccccc2S(C)(=O)=O)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][N][=Ring2][Ring1][Ring2] | c14ccccc1S(C)(=O)=O.Cc1cc(C)n5n1.C5C3C.N34 |
1922748 | CNC(=O)c1cccc(N2CCC(C(=O)NC3CCCCC3)CC2)n1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C][=N][Ring2][Ring1][Branch1] | c18cccc6n1.N16CCC9CC1.C17CCCCC1.C48=O.C59=O.CN4.N57 |
1922749 | N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(c2ccccc2)C1 | [N][#C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O] | N#Cc1cc(S(N)(=O)=O)ccc13.N13CCC4C1.c14ccccc1 |
1922750 | Cc1noc(-c2cccnc2N2CCCC(C3OCCO3)C2)n1 | [C][C][=N][O][C][Branch2][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Branch1][Branch2][C][O][C][C][O][Ring1][Branch1][C][Ring1][O][=N][Ring2][Ring1][=Branch1] | c16cccnc14.N14CCCC5C1.Cc1noc6n1.C15OCCO1 |
1922751 | CCc1nc(CCNc2ccc(S(N)(=O)=O)cc2C#N)cs1 | [C][C][C][=N][C][Branch2][Ring1][Branch2][C][C][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][#N][=C][S][Ring2][Ring1][Ring2] | c14ccc(S(N)(=O)=O)cc1C#N.c15nc6cs1.C6C3.CC5.N34 |
1922752 | COc1cccc(-c2noc(N3CCCC(CCC(N)=O)C3)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][=N][O][C][Branch2][Ring1][C][N][C][C][C][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][Ring1][O][=N][Ring1][S][=C][Ring2][Ring1][=Branch1] | c14cccc7c1.N15CCCC6C1.c17noc5n1.C6CC(N)=O.CO4 |
1922754 | CNC(=O)c1ccc(CN(C)c2ccc(F)cc2C#N)o1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][#N][O][Ring1][P] | c15ccc(F)cc1C#N.c16ccc7o1.C36=O.N45C.CN3.C47 |
1922757 | COc1ccccc1N1CCCC(Nc2nc(C)ns2)C1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Branch1][N][N][C][=N][C][Branch1][C][C][=N][S][Ring1][=Branch1][C][Ring1][=N][=O] | N16CCCC5C1=O.c13ccccc16.c14nc(C)ns1.CO3.N45 |
1922758 | c1ccc(C(Cn2cncn2)Nc2cc(-n3ccnc3)ncn2)cc1 | [C][=C][C][=C][Branch2][Ring1][=C][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][N][C][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=N][C][=N][Ring1][O][C][=C][Ring2][Ring1][=Branch2] | c15cc8ncn1.c1ccc7cc1.n16cncn1.n18ccnc1.C47C6.N45 |
1922759 | CCn1nc(C)c(Nc2ccc3nccnc3n2)c1C | [C][C][N][N][=C][Branch1][C][C][C][Branch1][S][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring1][P][C] | c14ccc2nccnc2n1.n16nc(C)c5c1C.CC6.N45 |
1922760 | CCCn1cc(Nc2ccc3nccnc3n2)cn1 | [C][C][C][N][C][=C][Branch1][S][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=N][Ring1][S] | c14ccc2nccnc2n1.n16cc5cn1.CCC6.N45 |
1922761 | CC(C)Cn1cc(Nc2ccc3nccnc3n2)cn1 | [C][C][Branch1][C][C][C][N][C][=C][Branch1][S][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=N][Ring1][S] | c14ccc2nccnc2n1.n16cc5cn1.CC(C)C6.N45 |
1922762 | C=CCn1c(SCCn2cc(C#N)cn2)nc2ccsc2c1=O | [C][=C][C][N][C][Branch1][#C][S][C][C][N][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][#Branch1][=N][C][C][=C][S][C][=Ring1][Branch1][C][Ring2][Ring1][Ring1][=O] | n14c6nc2ccsc2c1=O.n15cc(C#N)cn1.C=CC4.C3C5.S36 |
1922763 | O=c1c2ncccc2cnn1Cc1nnc(-c2ccccc2F)o1 | [O][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][#Branch2][C][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][N] | O=c1c2ncccc2cnn13.c15ccccc1F.c14nnc5o1.C34 |
1922764 | CC(C)c1nn(C)c2sc(C(=O)N(C)C)cc12 | [C][C][Branch1][C][C][C][=N][N][Branch1][C][C][C][S][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Ring1][=C][=Ring1][#Branch2] | c15nn(C)c2sc4cc12.CC5C.C34=O.N3(C)C |
1922765 | O=C(Nc1nc[nH]n1)c1ccc(F)c(COc2ccc(F)cc2)c1 | [O][=C][Branch1][=Branch2][N][C][N][=C][NH1][N][=Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][S] | c17ccc(F)c8c1.c15ccc(F)cc1.c16nc[nH]n1.O=C37.N36.C48.O45 |
1922766 | COc1ccc(C(C#N)NC(=O)Cc2cc(F)ccc2F)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][Ring1][C][#N][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | c14ccc7c5c1.c18cc(F)ccc1F.C67C#N.C3(=O)C8.CO4.N36.O5C |
1922767 | CCC(NC(=O)c1c[nH]nc1-c1ccccc1)c1cnn(CC)c1 | [C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][N][Branch1][Ring1][C][C][C][=Ring1][#Branch1] | c14c[nH]nc17.c17ccccc1.c16cnn5c1.CCC36.C24=O.N23.C5C |
1922768 | COCc1cc(C(=O)NC(c2ccco2)C(C)(C)C)no1 | [C][O][C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][=N][O][Ring2][Ring1][C] | c17cc6no1.C58C(C)(C)C.c18ccco1.C36=O.CO4.C47.N35 |
1922769 | C=CCOCCCC(=O)NC1CSc2ccccc21 | [C][=C][C][O][C][C][C][C][=Branch1][C][=O][N][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N3C1CSc2ccccc21.C5CCC3=O.C=CC4.O45 |
1922770 | C#CCNC(=O)N(C)C(C)c1cccc(-c2ccncc2)c1 | [C][#C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][N] | c17cccc8c1.c18ccncc1.C#CC5.C34=O.N46C.C67C.N35 |
1922771 | COc1ccc(C(=O)NCC(CO)Cc2cc(F)ccc2F)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][=Branch1] | c17cc(F)ccc1F.c14ccc6cc1.C5C(C7)CO.C36=O.CO4.N35 |
1922772 | Cc1sc(CCCO)nc1-c1ccc(Cl)cc1 | [C][C][S][C][Branch1][Branch1][C][C][C][O][=N][C][=Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1sc2nc13.c13ccc(Cl)cc1.C2CCO |
1922773 | CCC(NC(=O)Nc1ccccc1Cn1cccn1)c1ccncc1 | [C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15ccccc18.c17ccncc1.n16cccn1.CCC47.C23=O.N24.N35.C68 |
1922775 | CC(c1cccc(-c2ccncc2)c1)N(C)C(=O)Nc1cccnc1 | [C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][N][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17cccc8c1.c18ccncc1.c16cccnc1.CC57.N35C.C34=O.N46 |
1922778 | Cn1cc(NC(=O)Nc2ccc(Oc3ccc(F)cc3F)nc2)cn1 | [C][N][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][=C][Ring1][#C][C][=N][Ring2][Ring1][Branch2] | c17ccc(F)cc1F.c19ccc6nc1.Cn1cc8cn1.C45=O.N48.N59.O67 |
1922779 | CCNC(=O)Cn1ccc(NC(=O)NC2CCc3ccccc32)n1 | [C][C][N][C][=Branch1][C][=O][C][N][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][Ring2][Ring1][C] | N6C1CCc2ccccc21.n19ccc8n1.C4(=O)C9.C56=O.CC7.N47.N58 |
1922781 | CNC(=O)CNC(=O)Nc1nc(Cc2ccccc2)c(C)s1 | [C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][S][Ring1][=N] | c17nc8c(C)s1.c19ccccc1.C3(=O)C6.C45=O.CN3.N46.N57.C89 |
1922782 | Cc1sc(NC(=O)NCCO)nc1Cc1ccccc1 | [C][C][S][C][Branch1][#Branch2][N][C][=Branch1][C][=O][N][C][C][O][=N][C][=Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1sc5nc16.c17ccccc1.C23=O.C4CO.N25.N34.C67 |
1922783 | COc1cccc(-n2cnnc2SCC(O)c2ccc(C)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=N][N][=C][Ring1][Branch1][S][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][=Branch1] | c13cccc6c1.c15ccc(C)cc1.n16cnnc17.C4C5O.CO3.S47 |
1922784 | CCCc1n[nH]c(SCC2(O)CCC(C)CC2)n1 | [C][C][C][C][=N][NH1][C][Branch1][P][S][C][C][Branch1][C][O][C][C][C][Branch1][C][C][C][C][Ring1][Branch2][=N][Ring1][#C] | C15(O)CCC(C)CC1.c14n[nH]c6n1.CCC4.S36.C35 |
1922785 | O=C(NCCCCOc1ccccc1)c1nccn2ccnc12 | [O][=C][Branch1][#C][N][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][N][C][=C][N][=C][Ring1][=Branch2][Ring1][Branch1] | c17nccn2ccnc12.c15ccccc1.C6CCC4.O=C37.N36.O45 |
1922786 | Cc1ccc(-c2ocnc2C(=O)Nc2cc(C(N)=O)n(C)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][O][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][Branch1][C][C][C][=Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.c14cc6n(C)c1.c17ocnc15.C35=O.C6(N)=O.N34 |
1922787 | O=C(c1nccn2ccnc12)N1CCC(c2cc3ccccc3[nH]2)CC1 | [O][=C][Branch1][=C][C][=N][C][=C][N][C][=C][N][=C][Ring1][=Branch2][Ring1][Branch1][N][C][C][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][#C] | c15nccn2ccnc12.c16cc2ccccc2[nH]1.N14CCC6CC1.O=C45 |
1922788 | Cc1nccn1Cc1cccc(NC(=O)C2COc3ccccc32)c1 | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][C] | C4(=O)C1COc2ccccc21.c17cccc5c1.Cc1nccn16.C67.N45 |
1922789 | Cc1[nH]ncc1C(=O)NCc1cc(F)ccc1-n1ccnc1C | [C][C][NH1][N][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=C][N][=C][Ring1][Branch1][C] | c15cc(F)ccc16.Cc1[nH]ncc14.n16ccnc1C.C24=O.N23.C35 |
1922790 | Cn1ccc(Nc2ncc(C(F)(F)F)cc2Cl)n1 | [C][N][C][=C][C][Branch2][Ring1][Branch1][N][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][=N][Ring1][P] | c14ncc5cc1Cl.Cn1ccc3n1.C5(F)(F)F.N34 |
1922791 | c1ccc(-c2nnc3n2CCN(c2nnnn2-c2ccccc2)C3)cc1 | [C][=C][C][=C][Branch2][Ring1][#C][C][=N][N][=C][N][Ring1][Branch1][C][C][N][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][C][=C][Ring2][Ring1][#Branch2] | c16nnc2n1CCN4C2.c1ccc6cc1.c14nnnn15.c15ccccc1 |
1922792 | Cc1cnc(CNC(=O)NCc2ccccc2OC(C)C)s1 | [C][C][=C][N][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][S][Ring2][Ring1][Branch1] | c1%10ccccc16.Cc1cnc9s1.C34=O.C5(C)C.C79.N37.N48.C8%10.O56 |
1922793 | Cc1nc(CNC(=O)NCc2ccccc2OC(C)C)sc1C | [C][C][N][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][S][C][=Ring2][Ring1][Branch1][C] | Cc1nc9sc1C.c1%10ccccc16.C34=O.C5(C)C.C79.N37.N48.C8%10.O56 |
1922794 | CCC(CC)c1cc(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)[nH]n1 | [C][C][C][Branch1][Ring1][C][C][C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][NH1][C][Ring1][O][=O][NH1][N][=Ring2][Ring1][Ring2] | c16ccc8[nH]c1=O.c17cc5[nH]n1.CCC7CC.c18ccco1.C46=O.N45 |
1922795 | Cc1nc(CNC(=O)NCc2cc(F)ccc2-n2ccnc2C)no1 | [C][C][=N][C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=C][N][=C][Ring1][Branch1][C][=N][O][Ring2][Ring1][Branch2] | c18cc(F)ccc19.Cc1nc7no1.n19ccnc1C.C34=O.C57.N35.N46.C68 |
1922796 | Cc1cnc(CNC(=O)NC2CCCC2Oc2ccccc2)s1 | [C][C][=C][N][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][=Branch1] | Cc1cnc9s1.C18CCCC15.c16ccccc1.C34=O.C79.N37.N48.O56 |
1922797 | O=C(NCc1cccc(-n2cncn2)c1)NCC(C1CC1)C1CC1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O][N][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1] | c19cccc%10c1.n1%10cncn1.C6C78.O=C34.C17CC1.C18CC1.N35.C59.N46 |
1922799 | CC(=O)Nc1ccccc1CNC(=O)N1CCCC2CCCC21 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][Ring1][Branch1][Ring1][=Branch2] | N15CCCC2CCCC21.c17ccccc18.CC3=O.C45=O.N37.C68.N46 |
1922800 | Cc1ccc(NC(=O)NCc2c(C)c(C)n[nH]c2=O)s1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][C][Branch1][C][C][=N][NH1][C][Ring1][Branch2][=O][S][Ring2][Ring1][Ring1] | c17c(C)c(C)n[nH]c1=O.Cc1ccc6s1.C34=O.N36.N45.C57 |
1922801 | Cc1ccc(NC(=O)NCCn2ncc3ccccc3c2=O)s1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][S][Ring2][Ring1][=Branch1] | n18ncc2ccccc2c1=O.Cc1ccc7s1.C45=O.C6C8.N47.N56 |
1922802 | CC(C)C(=O)Nc1cc(C(=O)OCc2cnn(C)c2)c(F)cc1F | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][P][C][=Branch1][C][=O][O][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][Branch1][C][F][C][=C][Ring1][P][F] | c16cc7c(F)cc1F.c18cnn(C)c1.CC(C)C4=O.C37=O.N46.O35.C58 |
1922803 | O=C(OCCOCC(F)(F)F)C1CC12CCOc1ccccc12 | [O][=C][Branch1][=C][O][C][C][O][C][C][Branch1][C][F][Branch1][C][F][F][C][C][C][Ring1][Ring1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | C17CC12CCOc1ccccc12.C6C(F)(F)F.O=C37.C4C5.O34.O56 |
1922804 | Cc1ccc(-c2ocnc2C(=O)OC(C)CCN2CCCC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][O][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring2][Ring1][Branch2] | Cc1ccc7cc1.c17ocnc15.N16CCCC1=O.C4(C)CC6.C35=O.O34 |
1922805 | Cc1cc(C)nc(-n2cc(C(=O)OCc3ccoc3C)c(C)n2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][O][N][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][C][=C][O][C][=Ring1][Branch1][C][C][Branch1][C][C][=N][Ring1][S][=N][Ring2][Ring1][#Branch1] | Cc1cc(C)nc8n1.n18cc6c(C)n1.c17ccoc1C.C46=O.O45.C57 |
1922806 | O=C(NC1CC1c1ccc2c(c1)OCCO2)c1ccncc1Cl | [O][=C][Branch2][Ring1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl] | c16ccc2c(c1)OCCO2.c15ccncc1Cl.C14CC16.O=C35.N34 |
1922807 | Cc1cnc(COC(=O)c2cc(F)c(F)cc2Cl)o1 | [C][C][=C][N][=C][Branch2][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][O][Ring2][Ring1][C] | c15cc(F)c(F)cc1Cl.Cc1cnc6o1.C35=O.C46.O34 |
1922808 | COc1ccc2nc(C)cc(C(=O)OCCCNC(C)=O)c2c1 | [C][O][C][=C][C][=C][N][=C][Branch1][C][C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][C][N][C][Branch1][C][C][=O][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c16ccc2nc(C)cc8c2c1.C5CC7.C38=O.C4(C)=O.CO6.O35.N47 |
1922809 | CN(C(=O)NCc1cccnc1-n1cncn1)C1CCC1 | [C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=N][C][=N][Ring1][Branch1][C][C][C][C][Ring1][Ring2] | c16cccnc17.n17cncn1.C15CCC1.CN25.C23=O.N34.C46 |
1922810 | CCOC1CC(NC(=O)N(C)Cc2nnc3ccccn23)C12CCC2 | [C][C][O][C][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring2] | c1%10nnc2ccccn12.C17CC9C12CCC2.C45=O.N58C.CC6.O67.N49.C8%10 |
1922811 | O=S(=O)(Cc1ccccc1)NCC1(CCO)CCCC1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][Ring2][C][C][O][C][C][C][C][Ring1][Branch2] | c16ccccc1.C145CCCC1.O=S3(=O)C6.C5CO.N23.C24 |
1922812 | Cc1cc(CC(=O)NCCNC(=O)c2n[nH]c3ccccc23)no1 | [C][C][=C][C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][O][Ring2][Ring1][#Branch1] | c18n[nH]c2ccccc12.Cc1cc9no1.C9C4=O.C6C7.C58=O.N46.N57 |
1922813 | CCN(Cc1cccc2c1OCO2)C(=O)C(C)c1cccnc1 | [C][C][N][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c16cccc2c1OCO2.c17cccnc1.C3(=O)C7C.N345.CC4.C56 |
1922814 | Cc1cc(=O)c(C(=O)N2CCC(c3ccccc3C)CC2)c[nH]1 | [C][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][=N][=C][NH1][Ring2][Ring1][=Branch1] | Cc1cc(=O)c5c[nH]1.N14CCC6CC1.c16ccccc1C.C45=O |
1922815 | CC1CN(C)c2ccccc2N(C(=O)c2c[nH]c(C(C)C)n2)C1 | [C][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][NH1][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2][C][Ring2][Ring1][=Branch1] | CC1CN3c2ccccc2N(C)C1.c14c[nH]c5n1.C34=O.C5(C)C |
1922816 | c1cnc2nc(Sc3nnc(C4CC4)s3)ccc2n1 | [C][=C][N][=C][N][=C][Branch1][S][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][C][=C][C][Ring1][#C][=N][Ring2][Ring1][Ring1] | c1cnc2nc5ccc2n1.c16nnc7s1.C17CC1.S56 |
1922817 | Cc1ccc(C2OCCCC2NC(=O)NCc2ncnn2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][O][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=N][C][=N][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc8cc1.C18OCCCC16.c17ncnn1C.C34=O.N36.N45.C57 |
1922818 | CC(C)c1cc(C(=O)N(C)C(c2cccnc2)C(C)C)nn1C | [C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][C][=N][N][Ring2][Ring1][Ring1][C] | c16cc5nn1C.c17cccnc1.C47C(C)C.CC6C.C35=O.N34C |
1922819 | CC(C)c1cc(C(=O)NC(Cn2cccn2)c2ccccc2)n(C)n1 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][N][=Ring2][Ring1][=Branch1] | c17cc5n(C)n1.c18ccccc1.n16cccn1.C48C6.CC7C.C35=O.N34 |
1922820 | CCOc1cccc(NC(=O)c2cnc3sccn3c2=O)n1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][S][C][=C][N][Ring1][Branch1][C][Ring1][=Branch2][=O][=N][Ring2][Ring1][Ring1] | c18cnc2sccn2c1=O.c16cccc7n1.C48=O.CC5.O56.N47 |
1922821 | CCOc1cccc(NC(=O)c2nc(C)ncc2Cl)n1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][Cl][=N][Ring1][P] | c17nc(C)ncc1Cl.c15cccc6n1.C37=O.CC4.O45.N36 |
1922822 | CC(C)c1cc(C(=O)N2CCN(Cc3ccccc3F)CC2)n(C)n1 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=C][N][Branch1][C][C][N][=Ring2][Ring1][=Branch1] | c17cc6n(C)n1.N14CCN5CC1.c18ccccc1F.CC7C.C46=O.C58 |
1922823 | CCNC(=O)NC1CN(Cc2ccncc2Cl)CC1OC | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=N][O][C] | C18CN7CC15.c19ccncc1Cl.C34=O.CC6.N36.N48.C79.O5C |
1922824 | CC1CN(C(=O)CN2CCN(C)c3ccc(Cl)cc32)CC(C)O1 | [C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][N][C][C][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N][C][C][Branch1][C][C][O][Ring2][Ring1][=Branch1] | N15CCN(C)c2ccc(Cl)cc21.CC1CN4CC(C)O1.C4(=O)C5 |
1922826 | CC(NC(=O)N(C1CC1)C(C)C1CC1)c1cccc(-n2cncn2)c1 | [C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][C][C][Ring1][Ring1][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O] | c19cccc%10c1.n1%10cncn1.CC59.C34=O.N467.C17CC1.C68C.C18CC1.N35 |
1922827 | Cc1cc(C)c2c(c1)C(NC(=O)CCc1nnc(C(C)C)o1)CCO2 | [C][C][=C][C][Branch1][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][O][Ring1][Branch2][C][C][O][Ring2][Ring1][Ring2] | Cc1cc(C)c2c(c1)C(N3)CCO2.c14nnc5o1.C3(=O)CC4.C5(C)C |
1922828 | Cc1cc(F)cc(S(=O)(=O)N2CCNC(=O)c3sccc32)c1 | [C][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][Ring1][O][=C][Ring2][Ring1][Branch1] | Cc1cc(F)cc(S4(=O)=O)c1.N14CCNC(=O)c2sccc21 |
1922829 | Cc1nc(N(C)C)sc1CCNC(=O)c1cccc2[nH]ccc12 | [C][C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][S][C][=Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1] | c16cccc2[nH]ccc12.Cc1nc5sc17.N5(C)C.C7C4.C36=O.N34 |
1922830 | O=C(CNc1cc(-n2cnnn2)ccc1F)N1CCCCCC1 | [O][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][C][=C][Ring1][O][F][N][C][C][C][C][C][C][Ring1][#Branch1] | c15cc6ccc1F.N13CCCCCC1.n16cnnn1.O=C3C4.N45 |
1922831 | COc1cc2nc(C)sc2cc1NC(=O)NCc1ccon1 | [C][O][C][=C][C][N][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][=C][O][N][=Ring1][Branch1] | c15cc2nc(C)sc2cc17.c18ccon1.C34=O.CO5.N37.N46.C68 |
1922832 | CC1(C)C(NC(=O)NCC2(CO)CC2)C2CCOC21 | [C][C][Branch1][C][C][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch1][C][C][C][O][C][Ring1][Branch1][Ring2][Ring1][C] | CC1(C)C6C2CCOC21.C178CC1.C34=O.N36.N45.C57.C8O |
1922833 | CCOC1CC(NC(=O)NCC2(CO)CC2)C12CCCC2 | [C][C][O][C][C][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch1][C][Ring1][=C][C][C][C][C][Ring1][Branch1] | C16CC8C12CCCC2.C19%10CC1.C34=O.CC5.O56.N38.N47.C79.C%10O |
1922834 | O=C(CSc1ccccc1O)NCC1CCC1 | [O][=C][Branch1][N][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][C][C][C][C][Ring1][Ring2] | c16ccccc1O.O=C2C4.C15CCC1.S46.N23.C35 |
1922835 | Cc1nnc(C(C)Nc2cccc(Oc3ccccc3C(N)=O)c2)o1 | [C][C][=N][N][=C][Branch2][Ring1][=C][C][Branch1][C][C][N][C][=C][C][=C][C][Branch1][#C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][S][O][Ring2][Ring1][Branch2] | c17cccc4c1.c15ccccc18.Cc1nnc9o1.C69C.C8(N)=O.N67.O45 |
1922836 | Cc1noc(C)c1CNc1cncc(OCC(C)C)n1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=C][N][=C][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][=N][Ring1][O] | Cc1noc(C)c16.c15cncc3n1.C2C(C)C.C46.N45.O23 |
1922838 | C#CCNC(=O)c1ccc(=O)n(CCc2ccccc2Cl)c1 | [C][#C][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][S] | c15ccc(=O)n6c1.c17ccccc1Cl.C#CC4.C35=O.C6C7.N34 |
1922839 | Cc1cc(NCCNc2cnn(C)c(=O)c2Cl)n2ncnc2n1 | [C][C][C][=C][Branch2][Ring1][Ring2][N][C][C][N][C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][Cl][N][N][=C][N][=C][Ring1][Branch1][N][=Ring2][Ring1][=Branch1] | Cc1cc5n2ncnc2n1.c16cnn(C)c(=O)c1Cl.C3C4.N35.N46 |
1922840 | CC(=O)NCc1cccc(CNc2ncc(Cl)cn2)c1 | [C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=C][C][N][C][=N][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring1][#C] | c17cccc8c1.c16ncc(Cl)cn1.CC3=O.N34.C47.C58.N56 |
1922841 | CCC(Nc1ncc(Cl)cn1)C1CCOCC1 | [C][C][C][Branch1][=N][N][C][=N][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][C][C][O][C][C][Ring1][=Branch1] | c13ncc(Cl)cn1.C14CCOCC1.CCC24.N23 |
1922842 | OCC1C=CC(Nc2nc(-c3ccccn3)nc3c2CCC3)C1 | [O][C][C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][Ring1][N][C][C][C][Ring1][Branch1][C][Ring2][Ring1][Branch1] | c14nc7nc2c1CCC2.C16C=CC5C1.c17ccccn1.OC6.N45 |
1922846 | Cc1cc(C(=O)Nc2ccc(-n3ccnc3)nc2)c2cnn(C)c2n1 | [C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][N][=C][Ring1][O][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2] | Cc1cc6c2cnn(C)c2n1.c15ccc7nc1.n17ccnc1.C46=O.N45 |
1922848 | Cc1ccccc1OCCN1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][#N][=C][NH1][Ring1][#Branch1][C][C][Ring1][#C] | Cc1ccccc15.N16CCN3CC1.c17cc(C#N)c[nH]1.C4C6.C37=O.O45 |
1922849 | N#Cc1c[nH]c(C(=O)N2CCN(CCNC(=O)C3CCCC3)CC2)c1 | [N][#C][C][=C][NH1][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][S][=C][Ring2][Ring1][#Branch1] | N#Cc1c[nH]c8c1.N14CCN6CC1.C19CCCC1.C48=O.C6C7.C59=O.N57 |
1922850 | N#Cc1c[nH]c(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1 | [N][#C][C][=C][NH1][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][NH1][C][Ring1][O][=C][Ring1][#C][=C][Ring2][Ring1][#Branch1] | c16ccc2nc8[nH]c2c1.N#Cc1c[nH]c7c1.c18ccccn1.C57=O.N56 |
1922852 | Cc1noc2ncc(NC(=O)CNC(=O)c3cc(F)cc(F)c3)cc12 | [C][C][=N][O][C][=N][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Branch1] | Cc1noc2ncc7cc12.c18cc(F)cc(F)c1.C4(=O)C6.C58=O.N47.N56 |
1922853 | CC1(C)C(C(=O)NCCc2nc(N)no2)C1(C)C | [C][C][Branch1][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][C][N][=N][O][Ring1][=Branch1][C][Ring1][#C][Branch1][C][C][C] | CC1(C)C5C1(C)C.c16nc(N)no1.C35=O.C4C6.N34 |
1922854 | Cc1csc(CN(CC2CCCO2)C(=O)Cc2cccc(O)c2)n1 | [C][C][=C][S][C][Branch2][Ring1][=N][C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1] | c18cccc(O)c1.Cc1csc7n1.C16CCCO1.C3(=O)C8.N345.C47.C56 |
1922855 | CC(C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1)n1cncn1 | [C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][N][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring1][=N][N][C][=N][C][=N][Ring1][Branch1] | c17ccc(Cl)cc1.c14ncn6n1.CC5C3=O.n15cncn1.N34.C67 |
1922856 | N#CCn1cc(NC(=O)CCc2ccc(Br)cc2)cn1 | [N][#C][C][N][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=N][Ring1][P] | c16ccc(Br)cc1.n15cc4cn1.C3(=O)CC6.N#CC5.N34 |
1922857 | CN(CCn1cccn1)C(=O)CCc1ccc(Br)cc1 | [C][N][Branch1][#Branch2][C][C][N][C][=C][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c15ccc(Br)cc1.n14cccn1.C2(=O)CC5.CN23.C3C4 |
1922858 | N#CC1CN(C(=O)c2ccc(Oc3ccccc3)o2)CCN1C1CC1 | [N][#C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][N][C][C][N][Ring2][Ring1][Ring2][C][C][C][Ring1][Ring1] | N#CC1CN4CCN17.c18ccc5o1.c16ccccc1.C48=O.C17CC1.O56 |
1922860 | CC1(C)CCc2sc(CNC(=O)c3nccnc3C(N)=O)cc2C1 | [C][C][Branch1][C][C][C][C][C][S][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][N][=O][=C][C][=Ring2][Ring1][C][C][Ring2][Ring1][#Branch1] | CC1(C)CCc2sc8cc2C1.c16nccnc17.C46=O.C7(N)=O.C58.N45 |
1922861 | CC1(C)CCc2sc(CNC(=O)C3CCC(=O)N3)cc2C1 | [C][C][Branch1][C][C][C][C][C][S][C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][=C][C][=Ring1][#C][C][Ring2][Ring1][Ring2] | CC1(C)CCc2sc7cc2C1.C16CCC(=O)N1.C46=O.C57.N45 |
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