ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1923797 | Cn1c(=O)ccn(CC(=O)N2CCOCC23CCCC3)c1=O | [C][N][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][Ring2][=O] | N14CCOCC12CCCC2.Cn1c(=O)ccn5c1=O.C5C4=O |
1923798 | O=C(CCC(F)(F)F)Nc1ccc(-c2ccccn2)cn1 | [O][=C][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][Ring1][N] | O=C3CCC(F)(F)F.c14ccc5cn1.c15ccccn1.N34 |
1923799 | CCOCCC(=O)Nc1ccc(-c2ccccn2)cn1 | [C][C][O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][Ring1][N] | c16ccc7cn1.c17ccccn1.C5CC3=O.CC4.O45.N36 |
1923801 | Cc1nncn1CCNC(=O)C(C)Sc1nc2ccccc2s1 | [C][C][=N][N][=C][N][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c17nc2ccccc2s1.Cc1nncn16.C3(=O)C5C.C6C4.N34.S57 |
1923802 | Cc1cccc2c1N(C(=O)c1ccc(-n3cnnc3)cc1)CC2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][C][Ring2][Ring1][C] | Cc1cccc2c1N4CC2.c15ccc6cc1.n16cnnc1.C45=O |
1923803 | CCOc1ccc(NC(=O)c2noc3c2CCCC3)cc1CO | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C][O] | c18noc2c1CCCC2.c16ccc7cc19.C48=O.CC5.O56.N47.C9O |
1923804 | Cc1onc(-c2ccccc2)c1C(=O)NC1c2ccccc2CC1O | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O] | N3C1c2ccccc2CC1O.Cc1onc5c14.c15ccccc1.C34=O |
1923805 | Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC1c2ccccc2CC1O | [C][C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][NH1][C][=Branch1][C][=O][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O] | N3C1c2ccccc2CC1O.Cc1nc5[nH]c(=O)c14.C5(C)(C)C.C34=O |
1923806 | CSc1ccc(C(=O)N(CCO)Cc2cccnc2)o1 | [C][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring2][Ring1][C] | c18ccc6o1.c17cccnc1.C36=O.N345.C4CO.CS8.C57 |
1923807 | CCCS(=O)(=O)Nc1c(C)nn(C)c1Oc1cccnc1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15c(C)nn(C)c12.CCCS4(=O)=O.c13cccnc1.N45.O23 |
1923808 | CC(C(=O)N1CCN(C(=O)c2cccnc2)CC1)n1cccc1 | [C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=C][N][C][=C][C][=C][Ring1][Branch1] | N13CCN4CC1.c15cccnc1.CC6C3=O.n16cccc1.C45=O |
1923809 | COc1cccc(-c2cc(NC(=O)Cc3cc(C)[nH]n3)n(C)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][=C][Branch1][C][C][NH1][N][=Ring1][=Branch1][N][Branch1][C][C][N][=Ring1][S][=C][Ring2][Ring1][=Branch1] | c15cccc8c1.c18cc6n(C)n1.c17cc(C)[nH]n1.C4(=O)C7.CO5.N46 |
1923810 | Cc1ncc(C(=O)NCCC(=O)N2CCCCC2)c(Cl)c1Cl | [C][C][=N][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring2][Cl] | Cc1ncc6c(Cl)c1Cl.N14CCCCC1.C5CC4=O.C36=O.N35 |
1923811 | CNC(=O)c1ccc(NC(=O)Nc2cnn(C)c2)c(Cl)c1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][P] | c18ccc6c(Cl)c1.c17cnn(C)c1.C38=O.C45=O.CN3.N46.N57 |
1923812 | O=C(NCC(O)CN1CCOCC1)c1cc(F)ccc1O | [O][=C][Branch1][S][N][C][C][Branch1][C][O][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O] | c15cc(F)ccc1O.N14CCOCC1.C3C(O)C4.O=C25.N23 |
1923813 | Cc1nc(CNC(=O)c2cc(C(C)(C)C)nn2C)c2ccccn12 | [C][C][=N][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][N][Ring1][=Branch2][C][=C][C][=C][C][=C][N][Ring2][Ring1][#Branch1][Ring1][=Branch1] | Cc1nc6c2ccccn12.c15cc7nn1C.C7(C)(C)C.C35=O.C46.N34 |
1923814 | CCNC(=O)c1cc(NC(=O)c2cc(C)no2)nc2ccccc12 | [C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c18cc6nc2ccccc12.c17cc(C)no1.C38=O.C47=O.CC5.N35.N46 |
1923816 | COc1ncccc1C(=O)N1CCCC1c1c(C)n[nH]c1C | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C] | c13ncccc14.c15c(C)n[nH]c1C.N12CCCC15.C24=O.CO3 |
1923817 | Cc1ccnc(C(NC(=O)c2ccc(-c3cnco3)cc2)C2CC2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][S][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][C][=C][Ring1][O][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][Branch2] | Cc1ccnc7n1.c16ccc9cc1.c19cnco1.C578.C46=O.C18CC1.N45 |
1923818 | CC(=O)c1ccc(CNC(=O)c2ccc(-n3ccnc3)cc2)nc1C | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][N][=C][Ring2][Ring1][Branch1][C] | c16ccc8nc1C.c17ccc9cc1.n19ccnc1.CC6=O.C47=O.C58.N45 |
1923820 | O=C(c1ccc(S(=O)(=O)NC2CC=CC2)cc1F)N1CCCC1 | [O][=C][Branch2][Ring1][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][Ring1][Branch1][C][=C][Ring1][#C][F][N][C][C][C][C][Ring1][Branch1] | c16ccc(S4(=O)=O)cc1F.C15CC=CC1.N13CCCC1.O=C36.N45 |
1923821 | CCN(CC(C)(C)O)S(=O)(=O)c1ccc(Cl)c2ncccc12 | [C][C][N][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | S5(=O)(=O)c1ccc(Cl)c2ncccc12.C4C(C)(C)O.N345.CC3 |
1923823 | Cc1csc(CNc2ccccc2N2CC(C)OC(C)C2)n1 | [C][C][=C][S][C][Branch2][Ring1][=Branch2][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][Branch1] | N15CC(C)OC(C)C1.c14ccccc15.Cc1csc6n1.C36.N34 |
1923824 | CN(C)c1ccc(C(F)(F)F)cc1NCc1ccc(CO)o1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1] | c13ccc7cc14.c15ccc6o1.C7(F)(F)F.CN3C.N24.C25.C6O |
1923826 | CC1OCCC1NC(=O)NCCc1nc2cc(Cl)ccc2n1C | [C][C][O][C][C][C][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C] | c17nc2cc(Cl)ccc2n1C.CC1OCCC16.C34=O.C5C7.N36.N45 |
1923828 | Cc1nc(C(=O)Nc2nc(-c3cccn3C)cs2)c(=O)[nH]c1C | [C][C][N][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][Ring1][Branch1][C][=C][S][Ring1][O][C][=Branch1][C][=O][NH1][C][=Ring2][Ring1][Branch1][C] | Cc1nc6c(=O)[nH]c1C.c15nc7cs1.c17cccn1C.C46=O.N45 |
1923829 | O=C(COc1ccccc1Br)NCCn1cccc1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][C][C][N][C][=C][C][=C][Ring1][Branch1] | c14ccccc1Br.n16cccc1.O=C2C3.C5C6.O34.N25 |
1923830 | CCN(Cc1ccoc1)C(=O)c1cc(F)ccc1O | [C][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O] | c15cc(F)ccc1O.c16ccoc1.N234.C25=O.CC3.C46 |
1923831 | COCc1nn(Cc2cn3cc(Br)ccc3n2)c(=O)o1 | [C][O][C][C][=N][N][Branch2][Ring1][C][C][C][=C][N][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring1][P] | c17cn2cc(Br)ccc2n1.c16nn5c(=O)o1.CO4.C46.C57 |
1923832 | c1ccc2nc(N3CCCC3)c(NCc3nnc4n3CCC4)nc2c1 | [C][=C][C][=C][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Branch1][#C][N][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][=N][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] | c1ccc2nc6c7nc2c1.c18nnc2n1CCC2.N16CCCC1.N57.C58 |
1923834 | COc1ccc(CNc2ncc(C)c(C)n2)cc1NC(C)=O | [C][O][C][=C][C][=C][Branch1][P][C][N][C][=N][C][=C][Branch1][C][C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][S][N][C][Branch1][C][C][=O] | c14ccc8cc17.c16ncc(C)c(C)n1.C3(C)=O.CO4.C58.N56.N37 |
1923835 | Nc1nc(N2CCCC(N3CCCC3=O)C2)nc2ccccc12 | [N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][Ring1][N][=N][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | Nc1nc4nc2ccccc12.N14CCCC5C1.N15CCCC1=O |
1923836 | Cc1cnc(NCc2ccc(N(C)C(=O)c3ccncc3)cc2)nc1C | [C][C][=C][N][=C][Branch2][Ring1][=N][N][C][C][=C][C][=C][Branch1][P][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][S][N][=C][Ring2][Ring1][Branch2][C] | Cc1cnc6nc1C.c19ccc7cc1.c18ccncc1.N47C.C48=O.N56.C59 |
1923837 | CN(Cc1ncnn1C)c1nc2ccccc2nc1N1CCOCC1 | [C][N][Branch1][#Branch2][C][C][=N][C][=N][N][Ring1][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c14nc2ccccc2nc15.c16ncnn1C.N15CCOCC1.CN34.C36 |
1923838 | Cc1ccc(CCNC(=O)c2ccc(Br)c(O)c2)cn1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][O][=C][Ring1][Branch2][C][=N][Ring2][Ring1][Ring1] | c15ccc(Br)c(O)c1.Cc1ccc6cn1.C6C4.C35=O.N34 |
1923839 | O=C(CCC(=O)c1ccc(F)cc1)NCc1noc(C2CC2)n1 | [O][=C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2] | O=C3CCC5=O.c15ccc(F)cc1.c16noc7n1.C17CC1.N34.C46 |
1923840 | COC(C)(C(=O)N1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 | [C][O][C][Branch1][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CC(=O)N5C1.C46(C)C3=O.c17ccccc1.c16ccccc1.CO4.C57 |
1923841 | Cn1cc(C(=O)NC2CCN(c3ccc(Cl)c(F)c3)C2=O)cn1 | [C][N][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][=N][=O][C][=N][Ring2][Ring1][=Branch1] | c17ccc(Cl)c(F)c1.C15CCN7C1=O.Cn1cc6cn1.C46=O.N45 |
1923842 | COc1ccc(C(=O)N(Cc2nnc(C)o2)C(C)(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2] | c14ccc7cc1.c18nnc(C)o1.C6(C)(C)C.C37=O.N356.CO4.C58 |
1923843 | Cc1nnc(CN(C(=O)c2cccc(Cl)c2F)C(C)(C)C)o1 | [C][C][=N][N][=C][Branch2][Ring1][=N][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][C][Branch1][C][C][Branch1][C][C][C][O][Ring2][Ring1][Branch1] | c16cccc(Cl)c1F.Cc1nnc7o1.C5(C)(C)C.N345.C36=O.C47 |
1923844 | CC(NC(=O)c1ccccc1NCc1cccnc1)c1cnn(C)c1 | [C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | c16ccccc15.c18cccnc1.c17cnn(C)c1.CC37.C26=O.N23.N45.C48 |
1923845 | O=C(Nc1ccnc(OC2CCOC2)c1)c1cccs1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=N][C][Branch1][=Branch2][O][C][C][C][O][C][Ring1][Branch1][=C][Ring1][N][C][=C][C][=C][S][Ring1][Branch1] | c16ccnc4c1.C15CCOC1.c17cccs1.O=C37.N36.O45 |
1923846 | Cc1cc(C(=O)Nc2ccnc(OC3CCOC3)c2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=N][C][Branch1][=Branch2][O][C][C][C][O][C][Ring1][Branch1][=C][Ring1][N][=C][Branch1][C][C][O][Ring2][Ring1][Branch1] | Cc1cc8c(C)o1.c17ccnc5c1.C16CCOC1.C48=O.N47.O56 |
1923847 | Cc1occc1C(=O)Nc1ccnc(OC2CCOC2)c1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=N][C][Branch1][=Branch2][O][C][C][C][O][C][Ring1][Branch1][=C][Ring1][N] | c16ccnc4c1.Cc1occc17.C15CCOC1.C37=O.N36.O45 |
1923850 | CN(C)C(C(=O)N1CCN(C2CC2)C(=O)C1)c1c(F)cccc1F | [C][N][Branch1][C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][Ring1][#Branch2][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | N13CCN6C(=O)C1.c15c(F)cccc1F.C45C3=O.CN4C.C16CC1 |
1923852 | CC(OC(=O)C1(C)CCCO1)c1ccc(-n2cncn2)cc1 | [C][C][Branch1][S][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][O][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O] | c16ccc7cc1.C15(C)CCCO1.n17cncn1.CC46.C35=O.O34 |
1923853 | CCc1cc(C)c(C(=O)N2CC(CO)OCC2C)o1 | [C][C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][O][C][C][Ring1][Branch2][C][O][Ring1][P] | N13CC5OCC1C.c16cc(C)c4o1.C34=O.CC6.C5O |
1923855 | O=C(NCC#Cc1ccccn1)c1cc(F)c(F)cc1F | [O][=C][Branch1][=N][N][C][C][#C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F] | C3C#Cc1ccccn1.c14cc(F)c(F)cc1F.O=C24.N23 |
1923856 | CN(C)c1ccc(C(=O)NCC#Cc2ccccn2)c(F)c1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][F][=C][Ring2][Ring1][Ring1] | C4C#Cc1ccccn1.c15ccc6c(F)c1.CN5C.C36=O.N34 |
1923857 | CCn1c(SCc2ccn(C)n2)nnc1-c1ccc(OC)cc1 | [C][C][N][C][Branch1][=N][S][C][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][=N][N][=C][Ring1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | n15c7nnc18.c18ccc3cc1.c16ccn(C)n1.CC5.S47.C46.O3C |
1923859 | CCn1cc(CN(C)C(=O)C(O)c2cc(Cl)cc(Cl)c2)cn1 | [C][C][N][C][=C][Branch2][Ring1][N][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=N][Ring2][Ring1][Ring2] | c17cc(Cl)cc(Cl)c1.n15cc6cn1.C3(=O)C7O.N34C.CC5.C46 |
1923860 | CCc1oc(C(=O)N2CCC3C(CCC(=O)N3C3CC3)C2)cc1C | [C][C][C][O][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][#C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][Ring1][=C][=C][C][=Ring2][Ring1][Branch1][C] | N14CCC2C(CCC(=O)N27)C1.c16oc5cc1C.C45=O.C17CC1.CC6 |
1923861 | Cn1cc(C(C)(C)NC(=O)C(O)c2cc(Cl)cc(Cl)c2)cn1 | [C][N][C][=C][Branch2][Ring1][#C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=N][Ring2][Ring1][Branch1] | c16cc(Cl)cc(Cl)c1.Cn1cc5cn1.C3(=O)C6O.C45(C)C.N34 |
1923862 | CC(=O)NCc1cccc(CNC(=O)C(O)c2ccccc2)c1 | [C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | c17cccc8c1.c19ccccc1.C4(=O)C9O.CC3=O.N35.C57.C68.N46 |
1923863 | Cc1nc2ccccc2c(C(=O)N(C)C(C)C)c1C | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][Ring1][P][C] | Cc1nc2ccccc2c5c1C.C35=O.N34C.C4(C)C |
1923864 | CC(C)C(=O)N1CCC(NC(=O)C(O)c2ccccc2Cl)C1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring1][P] | c16ccccc1Cl.N13CCC5C1.CC(C)C3=O.C4(=O)C6O.N45 |
1923865 | CC(=O)N1CCC(NC(=O)C(O)c2cc(Cl)cc(Cl)c2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring2][Ring1][C] | c16cc(Cl)cc(Cl)c1.N13CCC5C1.C4(=O)C6O.CC3=O.N45 |
1923866 | CCc1cc(C)c(C(=O)N2CCCC2C(C)(C)O)o1 | [C][C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][O][O][Ring1][P] | c16cc(C)c4o1.N13CCCC15.C5(C)(C)O.C34=O.CC6 |
1923867 | COc1ccc(CNC(=O)C(O)c2ccccc2Cl)cc1C#N | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][Ring1][C][#N] | c14ccc6cc1C#N.c17ccccc1Cl.C3(=O)C7O.CO4.C56.N35 |
1923868 | Cc1cc(CC(=O)NC(C)CC(=O)c2cccs2)n[nH]1 | [C][C][=C][C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][NH1][Ring2][Ring1][Ring1] | Cc1cc6n[nH]1.C4(C)CC5=O.c15cccs1.C6C3=O.N34 |
1923869 | CC(CC(=O)c1cccs1)NC(=O)c1cccc2cn[nH]c12 | [C][C][Branch1][=N][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][C][=N][NH1][C][Ring1][=Branch2][=Ring1][Branch1] | c16cccc2cn[nH]c12.CC4CC5=O.c15cccs1.C36=O.N34 |
1923870 | CCCOc1cc(CNC(=O)c2ccncc2Cl)ccn1 | [C][C][C][O][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][=C][C][=N][Ring1][P] | c15cc8ccn1.c17ccncc1Cl.CCC4.C37=O.O45.C68.N36 |
1923871 | CCNC(=O)c1cc(NC(=O)c2oc(C)nc2C)nc2ccccc12 | [C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c18cc6nc2ccccc12.c17oc(C)nc1C.C38=O.C47=O.CC5.N35.N46 |
1923872 | O=C(CCc1nc[nH]n1)Nc1c(O)c(Cl)cc(Cl)c1Cl | [O][=C][Branch1][#Branch2][C][C][C][N][=C][NH1][N][=Ring1][Branch1][N][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl] | c13c(O)c(Cl)cc(Cl)c1Cl.O=C2CC4.c14nc[nH]n1.N23 |
1923873 | O=C(NCc1cccnc1OCC(F)F)c1ccn2ccnc2c1 | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][C][Branch1][C][F][F][C][C][=C][N][C][=C][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] | c17ccn2ccnc2c1.c18cccnc15.C4C(F)F.O=C37.N36.C68.O45 |
1923874 | CC(C)Oc1ccc(C(=O)OC2CCC3(CC2)OCCO3)cn1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=N][Ring2][Ring1][Ring1] | C17CCC2(CC1)OCCO2.c16ccc8cn1.CC5C.C48=O.O56.O47 |
1923875 | CCc1nc(C(=O)OCC(=O)N2CCCCCC2)c[nH]1 | [C][C][C][=N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][NH1][Ring2][Ring1][C] | N14CCCCCC1.c17nc6c[nH]1.C5C4=O.C36=O.CC7.O35 |
1923876 | Cc1nncn1-c1cccc(NC(=O)c2ccc(Cl)cn2)c1 | [C][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring1][S] | c16cccc4c1.c15ccc(Cl)cn1.Cc1nncn16.C35=O.N34 |
1923877 | CCNc1ncc(C(=O)NC(c2nccc(C)n2)C2CC2)s1 | [C][C][N][C][=N][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][C][C][Ring1][Ring1][S][Ring2][Ring1][Ring1] | c18nccc(C)n1.c16ncc7s1.C37=O.C589.C19CC1.CC4.N46.N35 |
1923878 | Cc1ccnc(C(NC(=O)Cc2ccc(O)cc2)C2CC2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][O][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][Branch1] | Cc1ccnc5n1.c17ccc(O)cc1.C3(=O)C7.C456.C16CC1.N34 |
1923879 | Cc1ccnc(C(NC(=O)c2sc(C)nc2C)C2CC2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][=Branch2][C][Branch1][P][N][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][Ring2] | Cc1ccnc6n1.c15sc(C)nc1C.C467.C35=O.C17CC1.N34 |
1923880 | CC(=O)c1cc(C(=O)NCc2ncoc2C)n(C)c1 | [C][C][=Branch1][C][=O][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][N][=C][O][C][=Ring1][Branch1][C][N][Branch1][C][C][C][=Ring1][S] | c16cc5n(C)c1.c17ncoc1C.CC6=O.C35=O.N34.C47 |
1923881 | CNc1snc(C)c1C(=O)NCc1ncoc1C | [C][N][C][S][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][=C][O][C][=Ring1][Branch1][C] | c14snc(C)c15.c16ncoc1C.C25=O.CN4.N23.C36 |
1923882 | Cc1ocnc1CNC(=O)c1cc(F)cc(Cl)c1O | [C][C][O][C][=N][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O] | c14cc(F)cc(Cl)c1O.Cc1ocnc15.C24=O.C35.N23 |
1923883 | Cc1ocnc1CNC(=O)c1c(F)cccc1Cl | [C][C][O][C][=N][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] | c14c(F)cccc1Cl.Cc1ocnc15.C24=O.C35.N23 |
1923884 | Cc1cc(C(=O)NCc2ncoc2C)c(F)cc1F | [C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][N][=C][O][C][=Ring1][Branch1][C][=C][Branch1][C][F][C][=C][Ring1][P][F] | Cc1cc5c(F)cc1F.c16ncoc1C.C35=O.N34.C46 |
1923885 | Cc1ocnc1CNC(=O)CC(C)c1ccc(F)cc1F | [C][C][O][C][=N][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c15ccc(F)cc1F.Cc1ocnc14.C2(=O)CC5C.C34.N23 |
1923886 | Cc1ocnc1CNC(=O)c1ccc(CCC(F)(F)F)cc1 | [C][C][O][C][=N][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][N] | c14ccc6cc1.Cc1ocnc15.C6CC(F)(F)F.C24=O.C35.N23 |
1923887 | Cc1nn(C)c(C)c1C(=O)NCc1ccn(-c2ccc(F)cc2)n1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring1][N] | Cc1nn(C)c(C)c15.c17ccc(F)cc1.c16ccn7n1.C35=O.N34.C46 |
1923888 | O=C(Cc1cccc(O)c1)NCc1ccn(-c2ccc(F)cc2)n1 | [O][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring1][N] | c16cccc(O)c1.c17ccc(F)cc1.c15ccn7n1.O=C3C6.N34.C45 |
1923889 | O=C(CCc1c[nH]c2ccccc12)Nc1cnccc1CO | [O][=C][Branch1][S][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][O] | c15c[nH]c2ccccc12.c14cnccc16.O=C3CC5.N34.C6O |
1923890 | Cc1cc(NC(=O)C2CCCCC2C(=O)NCc2ccsc2)[nH]n1 | [C][C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][S][C][=Ring1][Branch1][NH1][N][=Ring2][Ring1][#Branch1] | C17CCCCC18.Cc1cc6[nH]n1.c19ccsc1.C37=O.C48=O.N36.N45.C59 |
1923891 | O=C(CN1CCOCC1)N1CCCC(c2ccn[nH]2)C1 | [O][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][C][C][Branch1][Branch2][C][=C][C][=N][NH1][Ring1][Branch1][C][Ring1][O] | N13CCCC5C1.N14CCOCC1.c15ccn[nH]1.O=C3C4 |
1923892 | NC(=O)N1CCC(NC(=O)c2ccccc2NCc2ccccc2)C1 | [N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1] | c18ccccc16.N13CCC7C1.c19ccccc1.NC3=O.C48=O.N47.N56.C59 |
1923893 | CN(C)C(=O)C1CN(Cc2ccn(C)n2)CCN1Cc1ccn(C)n1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][N][Branch1][N][C][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][C][N][Ring1][=N][C][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1] | C16CN4CCN15.c17ccn(C)n1.c18ccn(C)n1.CN3C.C36=O.C47.C58 |
1923894 | O=C(NCCc1cccc2cccnc12)N1CCOC2(CCC2)C1 | [O][=C][Branch2][Ring1][C][N][C][C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][=Branch2] | c16cccc2cccnc12.N14CCOC2(CCC2)C1.O=C34.C5C6.N35 |
1923895 | CC1CCc2nc(CNc3cccc(C(=O)NCCO)c3)sc2C1 | [C][C][C][C][C][N][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][=C][Ring1][N][S][C][=Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch1] | CC1CCc2nc9sc2C1.c17cccc8c1.C48=O.C6CO.C59.N57.N46 |
1923896 | CC(CSc1ccc(F)cc1)C(=O)NCc1ccn(C)n1 | [C][C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1] | c16ccc(F)cc1.CC(C4)C2=O.c15ccn(C)n1.S46.N23.C35 |
1923897 | Cc1c(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)cnn1C | [C][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][Cl][C][C][Ring1][O][C][=N][N][Ring2][Ring1][Ring2][C] | c18ccc(F)cc1Cl.Cc1c6cnn1C.C178CC1.C46=O.N45.C57 |
1923898 | COc1cc(C)sc1C(=O)NCc1ccn(C)n1 | [C][O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1] | c13cc(C)sc15.c16ccn(C)n1.C25=O.CO3.N24.C46 |
1923899 | O=C1CC(COC(=O)Cn2ccc3ccccc32)CN1 | [O][=C][C][C][Branch2][Ring1][Branch1][C][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][N][Ring2][Ring1][Ring1] | n16ccc2ccccc21.O=C1CC7CN1.C4(=O)C6.C57.O45 |
1923900 | O=C(C1CC1c1ccccc1)N1CCOC2(CCC2)C1 | [O][=C][Branch1][=C][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][=Branch2] | N13CCOC2(CCC2)C1.c15ccccc1.C14CC15.O=C34 |
1923901 | Cc1n[nH]c(C)c1C1COCCN1C(=O)c1cccc(F)c1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | Cc1n[nH]c(C)c14.C14COCCN12.c13cccc(F)c1.C23=O |
1923902 | Cc1n[nH]c(C)c1C1COCCN1C(=O)c1ccccc1F | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | Cc1n[nH]c(C)c14.C14COCCN12.c13ccccc1F.C23=O |
1923903 | COc1cccc(C(=O)N2CCOCC2c2c(C)n[nH]c2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c14cccc5c1.N13CCOCC16.c16c(C)n[nH]c1C.C35=O.CO4 |
1923904 | Cn1cc(C2CN(c3nc4c(cc3C#N)CCCC4)CCO2)cn1 | [C][N][C][=C][Branch2][Ring1][#C][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][#N][C][C][C][C][Ring1][#Branch2][C][C][O][Ring2][Ring1][C][C][=N][Ring2][Ring1][#Branch1] | c15nc2c(cc1C#N)CCCC2.C16CN5CCO1.Cn1cc6cn1 |
1923905 | Cn1c(N2CCCC23CCOCC3)c(C#N)c(=O)n(C)c1=O | [C][N][C][Branch1][#C][N][C][C][C][C][Ring1][Branch1][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] | Cn1c4c(C#N)c(=O)n(C)c1=O.N14CCCC12CCOCC2 |
1923906 | CC(=O)N1CCCC1C(=O)Nc1cccc2oc(C(F)(F)F)nc12 | [C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=N][=Ring1][=Branch2] | c15cccc2oc7nc12.N13CCCC16.C7(F)(F)F.CC3=O.C46=O.N45 |
1923907 | O=C(Cn1ccnn1)Nc1cccc2oc(C(F)(F)F)nc12 | [O][=C][Branch1][=Branch2][C][N][C][=C][N][=N][Ring1][Branch1][N][C][=C][C][=C][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=N][=Ring1][=Branch2] | c14cccc2oc6nc12.n15ccnn1.O=C3C5.C6(F)(F)F.N34 |
1923908 | Cc1cccc(C(NC(=O)c2cccnc2C)c2ccccn2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | Cc1cccc7c1.c15cccnc1C.c16ccccn1.C467.C35=O.N34 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.