ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1922862 | O=C(c1cnc(-c2ccoc2)s1)N1CCOc2ncccc21 | [O][=C][Branch1][P][C][=C][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][S][Ring1][#Branch2][N][C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N13CCOc2ncccc21.c14cnc5s1.c15ccoc1.O=C34 |
1922863 | CN(CC(F)(F)F)C(=O)Cn1ccc(-c2ccco2)n1 | [C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][#Branch2] | n15ccc6n1.C4C(F)(F)F.c16ccco1.C3(=O)C5.CN34 |
1922864 | CC(C)(C)n1ccnc1S(=O)(=O)CC1CCCCO1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=C][N][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][O][Ring1][=Branch1] | n12ccnc1S(=O)(=O)C3.C13CCCCO1.CC2(C)C |
1922866 | CN(C(=O)CCc1ccc(Br)cc1)c1cn[nH]c1 | [C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][=N][NH1][C][=Ring1][Branch1] | c14ccc(Br)cc1.C2(=O)CC4.c13cn[nH]c1.CN23 |
1922868 | O=C(NCCCNc1cncc(Br)c1)C1CCC1 | [O][=C][Branch1][P][N][C][C][C][N][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][C][C][Ring1][Ring2] | c15cncc(Br)c1.C3CC4.C16CCC1.O=C26.N23.N45 |
1922869 | CC(CNc1nccn(C)c1=O)Oc1ccccc1Br | [C][C][Branch1][#C][C][N][C][=N][C][=C][N][Branch1][C][C][C][Ring1][#Branch1][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c15nccn(C)c1=O.c13ccccc1Br.CC2C4.N45.O23 |
1922870 | COCC1CCCN1S(=O)(=O)c1cccc2ncccc12 | [C][O][C][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | S4(=O)(=O)c1cccc2ncccc12.C15CCCN14.CO3.C35 |
1922872 | NC(=O)C1CCCCC1NC(=O)C1CC12CCCc1ccccc12 | [N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | C16CC12CCCc1ccccc12.C15CCCCC14.NC5=O.C36=O.N34 |
1922873 | CCC1CCCN1C(=O)Nc1cccc(C(=O)N(C)C)n1 | [C][C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][Ring1][O] | c15cccc6n1.C17CCCN12.C23=O.C46=O.N4(C)C.CC7.N35 |
1922874 | Cc1nn(-c2ccccc2)c(C)c1CN(C)c1cc(C(N)=O)ccn1 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][N][C][N][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=N][Ring1][=Branch2] | Cc1nn7c(C)c16.c14cc5ccn1.c17ccccc1.N34C.C5(N)=O.C36 |
1922875 | CN(Cc1cccc(OC(F)F)c1)C(=O)c1cc(C(N)=O)c[nH]1 | [C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][NH1][Ring1][Branch2] | c17cccc3c1.c15cc6c[nH]1.O3C(F)F.CN24.C25=O.C6(N)=O.C47 |
1922877 | C#CCOc1ccccc1CN(C)C(=O)c1cc(C(N)=O)c[nH]1 | [C][#C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][NH1][Ring1][Branch2] | c14ccccc18.c16cc7c[nH]1.C#CC3.N25C.C26=O.C7(N)=O.O34.C58 |
1922879 | CC(C)N(C(=O)NCCc1cccc(C(N)=O)c1)C1CC1 | [C][C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1] | c18cccc7c1.CC4C.N246.C23=O.C5C8.C7(N)=O.C16CC1.N35 |
1922880 | Cc1ccc2c(c1C)OCC2NC(=O)N(C)CC1CCOC1 | [C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][C][O][C][C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][O][C][Ring1][Branch1] | Cc1ccc2c(c1C)OCC2N3.C16CCOC1.C34=O.N45C.C56 |
1922881 | CCC(NC(=O)N(C)CC1CCOC1)c1ccc2c(c1)CC(C)(C)O2 | [C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][O][C][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2] | c18ccc2c(c1)CC(C)(C)O2.C17CCOC1.CCC58.C34=O.N46C.N35.C67 |
1922882 | CCc1cnc(CNC(=O)NCC2CCOC2C(C)C)s1 | [C][C][C][=C][N][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][O][C][Ring1][Branch1][C][Branch1][C][C][C][S][Ring2][Ring1][Ring1] | c18cnc9s1.C1%10CCOC17.C34=O.C7(C)C.CC8.C59.N35.N46.C6%10 |
1922885 | COC(=O)CC1CN(C2CCc3c(F)cccc32)CCO1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][C][O][Ring1][S] | C15CN(C2CCc3c(F)cccc32)CCO1.C4(=O)C5.CO4 |
1922886 | N#Cc1ccc(C2NC3(CCCC3)C(=O)N2CC2CC2)o1 | [N][#C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][Ring1][Ring1][O][Ring2][Ring1][Ring1] | C16NC2(CCCC2)C(=O)N14.N#Cc1ccc6o1.C15CC1.C45 |
1922887 | Cc1[nH]ccc1C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 | [C][C][NH1][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][S] | N13CCN4CC1.c16ccc(Cl)cc1.Cc1[nH]ccc17.C37=O.C45=O.N56 |
1922888 | CCOC(=O)c1ccoc1Cn1c(C)csc1=O | [C][C][O][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][N][C][Branch1][C][C][=C][S][C][Ring1][=Branch1][=O] | n15c(C)csc1=O.c14ccoc16.C24=O.CC3.O23.C56 |
1922889 | COC(=O)c1oc(Cn2c(C)csc2=O)cc1C | [C][O][C][=Branch1][C][=O][C][O][C][Branch1][=N][C][N][C][Branch1][C][C][=C][S][C][Ring1][=Branch1][=O][=C][C][=Ring1][=N][C] | c14oc6cc1C.n15c(C)csc1=O.C34=O.CO3.C56 |
1922890 | CCCc1nnnn1CC(=O)c1ccc(F)c(C)c1 | [C][C][C][C][=N][N][=N][N][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][Ring1][Branch2] | c12ccc(F)c(C)c1.c14nnnn13.C3C2=O.CCC4 |
1922891 | CCc1nsc(NCc2cccc(S(=O)(=O)NC(C)C)c2)n1 | [C][C][C][=N][S][C][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][Ring1][=N][=N][Ring2][Ring1][Ring2] | c18cccc(S5(=O)=O)c1.c17nsc6n1.C4(C)C.CC7.N36.C38.N45 |
1922892 | COc1cccc2cc(C(C)Nc3cncc(C(N)=O)n3)oc12 | [C][O][C][=C][C][=C][C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][C][N][C][=C][N][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][Ring1][=Branch2][O][C][Ring2][Ring1][Branch1][=Ring1][P] | c14cccc2cc8oc12.c16cncc7n1.C58C.C7(N)=O.CO4.N56 |
1922893 | Cc1ccc(C(=O)N2CCN(c3nc(C4CC4)ns3)CC2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][S][Ring1][Branch2][C][C][Ring1][=C][O][Ring2][Ring1][Branch1] | N15CCN6CC1.Cc1ccc7o1.c16nc8ns1.C57=O.C18CC1 |
1922894 | FC(F)(F)c1ccnc(N2CCC(Nc3cccnc3)CC2)c1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][Ring1] | c17ccnc4c1.N14CCC6CC1.c15cccnc1.FC7(F)F.N56 |
1922895 | O=C(c1ccc[nH]1)N1CCCN(c2nc(C3CC3)ns2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][C][C][C][N][Branch1][#C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][S][Ring1][Branch2][C][C][Ring1][#C] | N14CCCN5CC1.c15nc7ns1.c16ccc[nH]1.O=C46.C17CC1 |
1922896 | O=C(C1CCCN(c2nc(C3CC3)ns2)C1)N1CCCCCC1 | [O][=C][Branch2][Ring1][=Branch2][C][C][C][C][N][Branch1][#C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][S][Ring1][Branch2][C][Ring1][=C][N][C][C][C][C][C][C][Ring1][#Branch1] | C16CCCN5C1.N14CCCCCC1.c15nc7ns1.O=C46.C17CC1 |
1922897 | Cn1cc(N2CCCC(Nc3cc(C(F)(F)F)ccn3)C2)cn1 | [C][N][C][=C][Branch2][Ring1][#C][N][C][C][C][C][Branch2][Ring1][Ring2][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#Branch2][C][Ring1][P][C][=N][Ring2][Ring1][=Branch1] | N15CCCC6C1.c14cc7ccn1.Cn1cc5cn1.C7(F)(F)F.N46 |
1922899 | CC1(C)C2CN(C(=O)c3ncncc3Cl)CC21 | [C][C][Branch1][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=N][C][=N][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=C][Ring1][S] | CC1(C)C2CN4CC21.c15ncncc1Cl.C45=O |
1922900 | Cc1ccccc1C1(O)CCN(C(=O)c2cc[nH]c2C)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][NH1][C][=Ring1][Branch1][C][C][C][Ring1][#C] | C15(O)CCN3CC1.Cc1ccccc15.c14cc[nH]c1C.C34=O |
1922901 | Cc1[nH]ccc1C(=O)NCC(CO)Cc1ccccc1F | [C][C][NH1][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccccc1F.Cc1[nH]ccc14.C3C(C5)CO.C24=O.N23 |
1922902 | O=C(NCCN1CCN(c2nc(C3CC3)ns2)CC1)C1CCC1 | [O][=C][Branch2][Ring1][N][N][C][C][N][C][C][N][Branch1][#C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][S][Ring1][Branch2][C][C][Ring1][=C][C][C][C][C][Ring1][Ring2] | N16CCN7CC1.c17nc9ns1.C18CCC1.O=C48.C5C6.C19CC1.N45 |
1922904 | CCNc1cc(C(=O)N2CCC3CCCCC32)ccn1 | [C][C][N][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][Ring1][=Branch1][Ring1][=Branch2][=C][C][=N][Ring1][P] | N14CCC2CCCCC21.c16cc7ccn1.C47=O.CC5.N56 |
1922905 | CCN(C)c1ccccc1CNC(=O)NC(C)c1ncc(C)s1 | [C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c17ccccc19.c18ncc(C)s1.N47C.C23=O.C68C.CC4.C59.N25.N36 |
1922906 | CC(Cc1ccc(F)cc1)NC(=O)NC1CC(=O)N(C2CC2)C1 | [C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2] | c17ccc(F)cc1.C16CC(=O)N8C1.CC5C7.C34=O.C18CC1.N35.N46 |
1922907 | CC(C)C(CO)NC(=O)NCc1cc2c(s1)CCC2 | [C][C][Branch1][C][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1] | c17cc2c(s1)CCC2.CC(C)C5CO.C34=O.N35.N46.C67 |
1922908 | Cc1ccn(-c2cc(COC(=O)c3cnn(C)c3)ccn2)n1 | [C][C][C][=C][N][Branch2][Ring1][O][C][=C][C][Branch1][P][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][C][=N][Ring1][S][N][=Ring2][Ring1][Branch1] | c18cc7ccn1.Cc1ccn8n1.c16cnn(C)c1.C46=O.C57.O45 |
1922909 | COC(=O)N1CCC(NC(=O)CCc2csc3ccccc23)C1 | [C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring2][Ring1][Ring1] | c18csc2ccccc12.N15CCC7C1.C6(=O)CC8.C45=O.CO4.N67 |
1922910 | Cc1cnc(C(=O)N2CCC(OCCCc3ccccc3)C2)cn1 | [C][C][=C][N][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][C][=N][Ring2][Ring1][#Branch1] | Cc1cnc7cn1.N14CCC6C1.c18ccccc1.C5CC8.C47=O.O56 |
1922913 | COCCOCCSc1nc2ccc(Cl)cc2o1 | [C][O][C][C][O][C][C][S][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][#Branch2] | c17nc2ccc(Cl)cc2o1.C3C4.C5C6.CO3.O45.S67 |
1922914 | CCn1cc(CNC(C)c2noc(-c3ccc(Cl)cc3)n2)cn1 | [C][C][N][C][=C][Branch2][Ring1][O][C][N][C][Branch1][C][C][C][=N][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=N][Ring2][Ring1][Branch1] | c19ccc(Cl)cc1.n16cc8cn1.c17noc9n1.C57C.CC6.C48.N45 |
1922915 | c1ccc2[nH]c(CCCNc3ccc4nnc(C5CC5)n4n3)nc2c1 | [C][=C][C][=C][NH1][C][Branch2][Ring1][=Branch2][C][C][C][N][C][C][=C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][N][=Ring1][N][=N][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] | c17ccc2nnc9n2n1.c1ccc2[nH]c8nc2c1.C8CC6.C19CC1.N67 |
1922916 | COCC(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(C)o1 | [C][O][C][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][F][C][=C][Ring1][N][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1] | c14ccc(S(=O)(=O)C(F)F)cc1.c15ccc(C)o1.C2C35.CO2.N34 |
1922918 | Cc1nnnn1-c1cc(NC2CCN(C(C)C)C2=O)ccc1F | [C][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][Branch1][P][N][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][Branch2][=O][=C][C][=C][Ring1][S][F] | c16cc3ccc1F.C14CCN5C1=O.Cc1nnnn16.C5(C)C.N34 |
1922919 | Cc1cnn(-c2ccc(NC3CCN(C)C3=O)cc2F)c1 | [C][C][C][=N][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=N][N][C][C][C][N][Branch1][C][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][F][C][=Ring2][Ring1][Ring2] | c16ccc4cc1F.C15CCN(C)C1=O.Cc1cnn6c1.N45 |
1922920 | Cn1cc(C#N)cc1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 | [C][N][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][#Branch1][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] | c15ccc2nc7[nH]c2c1.Cn1cc(C#N)cc16.c17ccccn1.C46=O.N45 |
1922921 | CN(C(=O)NC(Cc1ccccc1)C(N)=O)c1ccccc1 | [C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C4(C6)C(N)=O.c16ccccc1.c15ccccc1.CN25.C23=O.N34 |
1922922 | COCC1CCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 | [C][O][C][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N] | S3(=O)(=O)c1ccc(C#N)c5c1.C14CCCN13.C5(F)(F)F.CO2.C24 |
1922923 | CNS(=O)(=O)CC(=O)N(Cc1cc2c(s1)CCC2)C(C)C | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][Branch1][S][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1][C][Branch1][C][C][C] | c17cc2c(s1)CCC2.S6(=O)(=O)CC3=O.N345.C5(C)C.CN6.C47 |
1922925 | O=C1OCCCN1Cc1nc(-c2ccccn2)no1 | [O][=C][O][C][C][C][N][Ring1][=Branch1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O] | O=C1OCCCN13.c14nc5no1.c15ccccn1.C34 |
1922926 | Cc1nc(-c2ccc(NC(=O)CCOC3CCOCC3)cc2)oc1C | [C][C][N][=C][Branch2][Ring1][N][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][O][C][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C][=Ring2][Ring1][#Branch1][C] | Cc1nc8oc1C.c18ccc7cc1.C16CCOCC1.C4(=O)CC5.N47.O56 |
1922927 | COc1ccc(CCCCNC(=O)c2ccon2)cc1 | [C][O][C][=C][C][=C][Branch1][P][C][C][C][C][N][C][=Branch1][C][=O][C][C][=C][O][N][=Ring1][Branch1][C][=C][Ring2][Ring1][C] | c14ccc7cc1.C7CCC5.c16ccon1.C36=O.CO4.N35 |
1922930 | O=C(NCC1CN(C2CC2)CCO1)Nc1ccccc1Cl | [O][=C][Branch2][Ring1][C][N][C][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][O][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | C18CN7CCO1.c16ccccc1Cl.O=C34.C17CC1.N35.C58.N46 |
1922931 | Fc1cccc(F)c1NCc1nc(-c2ccoc2)no1 | [F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][=N][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=N][O][Ring1][#Branch2] | Fc1cccc(F)c14.c15nc6no1.c16ccoc1.N34.C35 |
1922932 | COc1ccc(C(N)=O)cc1NCc1noc(-c2ccsc2)n1 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][N][C][C][=N][O][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][Ring1][#Branch2] | c13ccc6cc15.c17noc8n1.c18ccsc1.C6(N)=O.CO3.N45.C47 |
1922934 | COC(=O)NCc1ccc(NCc2noc(-c3ccsc3)n2)cc1 | [C][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][=N][O][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | c1%10ccc8cc1.c19noc%11n1.c1%11ccsc1.C45=O.CO4.N56.C6%10.N78.C79 |
1922936 | CC(CCn1cncn1)NC(=O)NCC1CC12CCc1ccccc12 | [C][C][Branch1][#Branch2][C][C][N][C][=N][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | C18CC12CCc1ccccc12.CC5CC7.n17cncn1.C34=O.N35.N46.C68 |
1922937 | Cc1cc(CNC(=O)NCc2nc(C)c(C)o2)cc(C)c1F | [C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][O][Ring1][#Branch1][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][F] | Cc1cc8cc(C)c1F.c17nc(C)c(C)o1.C34=O.C58.N35.N46.C67 |
1922939 | CCn1cc(CN(C)C(=O)c2c[nH]nc2-c2ccccc2F)cn1 | [C][C][N][C][=C][Branch2][Ring1][#Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][Ring2][Ring1][=Branch1] | c18ccccc1F.n16cc7cn1.c15c[nH]nc18.N34C.C35=O.CC6.C47 |
1922940 | Cc1nc(-c2cccc(C(=O)N(C)CC(C)O)c2)cs1 | [C][C][=N][C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][O][=C][Ring1][=C][=C][S][Ring2][Ring1][Ring1] | c16cccc5c1.Cc1nc6cs1.C4C(C)O.C35=O.N34C |
1922941 | CN1CCN(C(=O)c2c[nH]c3ncccc23)C(C)(C)C1=O | [C][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1][=O] | CN1CCN4C(C)(C)C1=O.c15c[nH]c2ncccc12.C45=O |
1922942 | Cc1cc(CC(=O)NCC(O)c2ccc(C(C)(C)C)cc2)n[nH]1 | [C][C][=C][C][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=N][NH1][Ring2][Ring1][=Branch1] | c16ccc7cc1.Cc1cc5n[nH]1.C5C3=O.C4C6O.C7(C)(C)C.N34 |
1922943 | Cc1cc(CC(=O)NCC(O)c2c(Cl)cccc2Cl)n[nH]1 | [C][C][=C][C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][NH1][Ring2][Ring1][Ring2] | c16c(Cl)cccc1Cl.Cc1cc5n[nH]1.C5C3=O.C4C6O.N34 |
1922944 | CCCc1n[nH]c(SCc2ccsc2C(=O)OC)n1 | [C][C][C][C][=N][NH1][C][Branch1][S][S][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][S] | c16n[nH]c8n1.c17ccsc15.CCC6.C35=O.S48.C47.O3C |
1922945 | Cc1cnn(CCCNC(=O)NC(C)(CO)C2CCCCC2)c1 | [C][C][C][=N][N][Branch2][Ring1][#Branch2][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][Ring1][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][=Ring2][Ring1][=Branch1] | Cc1cnn7c1.C18CCCCC1.C68(C)CO.C7CC5.C34=O.N35.N46 |
1922946 | O=C(NCC(O)Cc1ccccc1)c1cc2ccccn2c1 | [O][=C][Branch1][S][N][C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2] | c15cc2ccccn2c1.c16ccccc1.C4C(O)C6.O=C35.N34 |
1922947 | COCC(=O)Nc1ccc2nc(-c3ccc(Cl)cn3)[nH]c2c1 | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][NH1][C][Ring1][N][=C][Ring1][S] | c16ccc2nc7[nH]c2c1.c17ccc(Cl)cn1.C5C4=O.CO5.N46 |
1922948 | COCC(NC(=O)NC(C)(CO)C1CCCCC1)c1ccco1 | [C][O][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][Ring1][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] | C18CCCCC1.C68(C)CO.c17ccco1.C4C57.C23=O.CO4.N25.N36 |
1922949 | O=C(NC(c1ccccc1)C1CCC1)N1CCC2(CCOC2)C1 | [O][=C][Branch2][Ring1][Ring1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][Ring2][N][C][C][C][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][=Branch2] | N14CCC2(CCOC2)C1.c17ccccc1.C16CCC1.O=C34.C567.N35 |
1922950 | O=C(NCC1CC1c1ccccc1)N1CCC2(CCOC2)C1 | [O][=C][Branch1][S][N][C][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][=Branch2] | N14CCC2(CCOC2)C1.c17ccccc1.C16CC17.O=C34.N35.C56 |
1922951 | CC(CC1CC1)NC(=O)N1CCC2(CCOC2)C1 | [C][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][=Branch2] | N14CCC2(CCOC2)C1.CC5C6.C16CC1.C34=O.N35 |
1922952 | CCC(CC1CC1)NC(=O)N1CCC2(CCOC2)C1 | [C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][=Branch2] | N14CCC2(CCOC2)C1.CCC5C6.C16CC1.C34=O.N35 |
1922953 | COC(=O)c1cc(Cn2nc3ccccn3c2=O)c(C)s1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][S][C][N][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][Ring1][=Branch2][=O][=C][Branch1][C][C][S][Ring1][P] | n16nc2ccccn2c1=O.c15cc7c(C)s1.C45=O.CO4.C67 |
1922954 | O=C(NCCc1nc(C2CC2)cs1)N1CCC2(CCOC2)C1 | [O][=C][Branch2][Ring1][C][N][C][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][S][Ring1][Branch2][N][C][C][C][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][=Branch2] | N14CCC2(CCOC2)C1.c16nc7cs1.O=C34.C5C6.C17CC1.N35 |
1922955 | Cc1ccc(OCCn2cncn2)c(C(=O)Nc2ccncc2)c1 | [C][C][=C][C][=C][Branch1][O][O][C][C][N][C][=N][C][=N][Ring1][Branch1][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | Cc1ccc5c7c1.c16ccncc1.n18cncn1.C4C8.C37=O.O45.N36 |
1922956 | Cc1cccnc1NC(=O)C1CCCN(c2nc(C)c(C)s2)C1 | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][C][Ring1][=N] | Cc1cccnc14.C16CCCN5C1.c15nc(C)c(C)s1.C36=O.N34 |
1922957 | Cc1nc(N2CCC(C(=O)NCc3cccs3)CC2)sc1C | [C][C][N][=C][Branch2][Ring1][Branch2][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][#C][S][C][=Ring2][Ring1][Ring2][C] | Cc1nc6sc1C.N16CCC7CC1.c18cccs1.C47=O.N45.C58 |
1922958 | CN(Cc1nc(-c2cccnc2)no1)c1ccnc(C(C)(C)C)n1 | [C][N][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][#Branch2] | c14ccnc6n1.c15nc7no1.c17cccnc1.C6(C)(C)C.CN34.C35 |
1922959 | c1ccc(-n2ncc3c(N4CCC5(CCOC5)C4)ncnc32)cc1 | [C][=C][C][=C][Branch2][Ring1][S][N][N][=C][C][=C][Branch1][S][N][C][C][C][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][=Branch2][N][=C][N][=C][Ring1][#C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | n17ncc2c6ncnc21.N16CCC2(CCOC2)C1.c1ccc7cc1 |
1922960 | N#Cc1cc2ccccc2nc1N1CCC(OCCCO)CC1 | [N][#C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][C][C][Branch1][=Branch1][O][C][C][C][O][C][C][Ring1][O] | N#Cc1cc2ccccc2nc15.N15CCC4CC1.C3CCO.O34 |
1922961 | CC(C)CC1(CNC(=O)c2cn(CC(=O)N3CCCC3)nn2)CCC1 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][=N][Ring1][=N][C][C][C][Ring2][Ring1][Branch1] | c17cn8nn1.C19%10CCC1.N15CCCC1.CC(C)C9.C8C5=O.C47=O.C6%10.N46 |
1922962 | CN(CCOCc1ccccc1)C(=O)c1[nH]nc2c1CCCC2 | [C][N][Branch1][=N][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][N][=C][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c17[nH]nc2c1CCCC2.c18ccccc1.CN36.C6C4.C37=O.O45.C58 |
1922963 | O=C(NCCCOCC1CC1)N1CC2CCCC2C1 | [O][=C][Branch1][N][N][C][C][C][O][C][C][C][C][Ring1][Ring1][N][C][C][C][C][C][C][Ring1][Branch1][C][Ring1][Branch2] | N14CC2CCCC2C1.C7CC5.O=C34.C18CC1.N37.O56.C68 |
1922964 | CCSc1ccccc1NC(=O)N(CC(F)F)C1CC1 | [C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][C][C][Ring1][Ring1] | c18ccccc16.C4C(F)F.C23=O.N347.C17CC1.CC5.S58.N26 |
1922965 | Cc1csc(C(NC(=O)NC2CCCCCC2CO)C2CC2)n1 | [C][C][=C][S][C][Branch2][Ring1][O][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][O][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][=Branch1] | C16CCCCCC19.Cc1csc7n1.C578.C34=O.C18CC1.N35.N46.C9O |
1922966 | Cc1cnc(C(NC(=O)NC2CCCCCC2CO)C2CC2)s1 | [C][C][=C][N][=C][Branch2][Ring1][O][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][O][C][C][C][Ring1][Ring1][S][Ring2][Ring1][=Branch1] | C16CCCCCC19.Cc1cnc7s1.C578.C34=O.C18CC1.N35.N46.C9O |
1922968 | O=C(NCCOCC(F)(F)F)N1CCN(c2cccs2)CC1 | [O][=C][Branch1][=C][N][C][C][O][C][C][Branch1][C][F][Branch1][C][F][F][N][C][C][N][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][O] | N14CCN8CC1.C6C(F)(F)F.c18cccs1.O=C34.C7C5.N37.O56 |
1922969 | COC(=O)c1ccc(Cn2nnn(-c3cccs3)c2=O)s1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][N][=N][N][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][#Branch2][=O][S][Ring1][P] | n16nnn8c1=O.c15ccc7s1.c18cccs1.C45=O.CO4.C67 |
1922970 | O=C(N1CC2CCC1C2)C1(Cc2ccccc2)CCC1 | [O][=C][Branch1][N][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][O] | N13CC2CCC1C2.c16ccccc1.C145CCC1.O=C34.C56 |
1922971 | Cn1cc(N2CCN(C(=O)C3(Cc4ccccc4)CCC3)CC2)cn1 | [C][N][C][=C][Branch2][Ring2][C][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][O][C][C][Ring2][Ring1][Ring1][C][=N][Ring2][Ring1][Branch2] | N16CCN5CC1.Cn1cc6cn1.c19ccccc1.C178CCC1.C57=O.C89 |
1922972 | O=C(NCCOCC1CC1)NC1CCC(CO)CC1 | [O][=C][Branch1][O][N][C][C][O][C][C][C][C][Ring1][Ring1][N][C][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch2] | C17CCC9CC1.O=C23.C6C4.C18CC1.N26.O45.C58.N37.C9O |
1922973 | Cc1cc(C(NC(=O)N(C)CCn2cnnc2)C(C)C)c(C)s1 | [C][C][=C][C][Branch2][Ring1][N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][C][=N][N][=C][Ring1][Branch1][C][Branch1][C][C][C][=C][Branch1][C][C][S][Ring2][Ring1][=Branch1] | Cc1cc8c(C)s1.C58C(C)C.n17cnnc1.C34=O.N46C.C6C7.N35 |
1922974 | CN(CC(O)C1CC1)C(=O)NCc1ccccc1OC1CCC1 | [C][N][Branch1][O][C][C][Branch1][C][O][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][Ring1][Ring2] | c19ccccc15.C6C8O.C14CCC1.CN26.C18CC1.C23=O.N37.C79.O45 |
1922975 | CC(C)c1ccc(C2CC2NC(=O)N(C)CCn2cnnc2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][Ring1][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][C][=N][N][=C][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | c18ccc9cc1.n17cnnc1.C19CC16.CC8C.C34=O.N45C.C5C7.N36 |
1922976 | O=C(NCC1(Cc2ccccc2)CCC1)C1CC2CCC1O2 | [O][=C][Branch2][Ring1][Ring2][N][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][O][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][Branch1] | C15CC2CCC1O2.c18ccccc1.C167CCC1.O=C35.N34.C46.C78 |
1922977 | CN(Cc1cc(Cl)cn1C)C(=O)NCc1noc(C(C)(C)C)n1 | [C][N][Branch1][=N][C][C][=C][C][Branch1][C][Cl][=C][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][=N][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][=Branch2] | c16cc(Cl)cn1C.c17noc8n1.C8(C)(C)C.CN24.C23=O.C46.N35.C57 |
1922978 | CCC(C)NC(=O)C(C)NC(=O)N1CCN(c2cccs2)CC1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][O] | N15CCN8CC1.C3(=O)C7C.c18cccs1.CCC6C.C45=O.N36.N47 |
1922979 | CCCc1n[nH]c(SCc2ccc(C(=O)OC)s2)n1 | [C][C][C][C][=N][NH1][C][Branch2][Ring1][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][S][Ring1][=Branch2][=N][Ring1][S] | c16n[nH]c8n1.c17ccc5s1.CCC6.C35=O.S48.C47.O3C |
1922980 | C#CCNC(=O)c1ccc(=O)n(Cc2nc3cc(F)ccc3o2)c1 | [C][#C][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][=Ring2][Ring1][C] | c18nc2cc(F)ccc2o1.c16ccc(=O)n7c1.C#CC5.C46=O.N45.C78 |
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