ESSENCEDock_595Project / Actives /actives_table_GLCM.csv
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SMILES,Molecule Name,Target Name,Type
CCN(CC)c1ccc2cc(c(=O)oc2c1)C(=O)NC[C@@H]3C([C@H]([C@H](N3)CO)O)O,CHEMBL10131_active,GLCM,Active
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCC(=O)NC[C@@H]3C([C@H]([C@H](N3)CO)O)O,CHEMBL27760_active,GLCM,Active
CCCCCCCCC[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O,CHEMBL1091214_active,GLCM,Active
CN(C)c1cccc2c1cccc2S(=O)(=O)NC[C@@H]3C([C@H]([C@H](N3)CO)O)O,CHEMBL280973_active,GLCM,Active
CCCCCC[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O,CHEMBL1090540_active,GLCM,Active
Cc1cc(nc2c1cc(cc2)NC(=O)C3CCCCC3)N4CCOCC4,CHEMBL403714_active,GLCM,Active
C([C@@H]1C([C@H]([C@H](N1)CO)O)O)N,CHEMBL9745_active,GLCM,Active
CCCCCCCCCCCCn1cc(nn1)CNC2[C@@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O,CHEMBL1084109_active,GLCM,Active
CCCCCCCCNC1C=C(C(C(C1O)O)O)CO,CHEMBL422734_active,GLCM,Active
CCc1nnc(s1)NC(=O)c2ccc(cc2)NS(=O)(=O)c3ccccc3,CHEMBL406121_active,GLCM,Active
CCCC1CCC(CC1)C(=O)Nc2ccc3c(c2)c(cc(n3)N4CCOCC4)C,CHEMBL259854_active,GLCM,Active
Cc1cc(nc2c1cc(cc2)NC(=O)C3CCC(CC3)C)N4CCOCC4,CHEMBL259853_active,GLCM,Active
CC1CC(C(C(C1O)O)O)NCCc2ccccc2,CHEMBL316609_active,GLCM,Active
CCCCCCCCCCNC1C=C(C(C(C1O)O)O)CO,CHEMBL176679_active,GLCM,Active
CCCCCCCCCCCCCCn1cc(nn1)CNC2[C@@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O,CHEMBL1086532_active,GLCM,Active
CCCCCCCCCCn1cc(nn1)CNC2[C@@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O,CHEMBL1082596_active,GLCM,Active
c1ccc2c(c1)cccc2S(=O)(=O)NC[C@@H]3C([C@H]([C@H](N3)CO)O)O,CHEMBL10478_active,GLCM,Active
CCCCCCCCCCCC(=O)NC[C@@H]1C([C@H]([C@H](N1)CO)O)O,CHEMBL10219_active,GLCM,Active
Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C(=O)Nc3cc(on3)C,CHEMBL260582_active,GLCM,Active
CCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O,CHEMBL408500_active,GLCM,Active
C1C(C(C(CN1)O)O)CO,CHEMBL345129_active,GLCM,Active
Cc1cc(nc2c1cc(cc2)NC(=O)C3CCC(CC3)C)N4CCC(CC4)C,CHEMBL406704_active,GLCM,Active
CCCCCCCCCCCCCCNC1C=C(C(C(C1O)O)O)CO,CHEMBL170431_active,GLCM,Active
Cc1cc(nc2c1cc(cc2)NC(=O)C3CC3)N4CCOCC4,CHEMBL260291_active,GLCM,Active
c1ccc(cc1)CCC(=O)NC[C@H]2C([C@H]([C@H](N2)CO)O)O,CHEMBL274669_active,GLCM,Active
Cc1cc(nc2c1cc(cc2)NC(=O)C3CCC(CC3)C)N4CCCCC4,CHEMBL260290_active,GLCM,Active
C([C@@H]1[C@@H](C([C@H](N1)CO)O)O)O,CHEMBL10437_active,GLCM,Active
c1ccc(cc1)NC2=NC3C(C(C(C3O2)O)O)O,CHEMBL86865_active,GLCM,Active
CCCCCCCCCn1cc(nn1)CNC2[C@@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O,CHEMBL1085393_active,GLCM,Active
CCCCCCCCCCNC1[C@@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O,CHEMBL1083795_active,GLCM,Active
CCCCCCCCCCCCCCCCCCNC1C=C(C(C(C1O)O)O)CO,CHEMBL426933_active,GLCM,Active
CCCCCCNC1C=C(C(C(C1O)O)O)CO,CHEMBL354193_active,GLCM,Active
CCCCCCCCCC(=O)N[C@@H](CNC1C=C(C(C(C1O)O)O)CO)[C@H](c2ccccc2)O,CHEMBL59041_active,GLCM,Active
COc1ccc(cc1Nc2nc(nc(n2)N3CCCC3)NCCO)Cl,CHEMBL429079_active,GLCM,Active
CC(C)(C)Oc1ccccc1Nc2nc(nc(n2)N3CCCC3)NCCO,CHEMBL236925_active,GLCM,Active
C#CCOc1ccc(cc1)C(=O)c2ccc(cc2)C(=O)NCCCN3C[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O,CHEMBL590070_active,GLCM,Active
c1ccc(cc1)c2ccc(c(c2)Nc3nc(nc(n3)N4CCCC4)NCCO)O,CHEMBL427852_active,GLCM,Active
CCCCCCCCCCNC1CC(C(C(C1O)O)O)C,CHEMBL117074_active,GLCM,Active
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCO,CHEMBL27943_active,GLCM,Active
CCCCCCCCCC(=O)N[C@@H](CNC1C=C(C(C(C1O)O)O)CO)[C@@H](c2ccccc2)O,CHEMBL57497_active,GLCM,Active
CCN(CC)c1cc(c2cc(ccc2n1)NC(=O)C3CCC(CC3)C)C,CHEMBL258515_active,GLCM,Active
c1ccc2c(c1)cccc2C(=O)NC[C@@H]3C([C@H]([C@H](N3)CO)O)O,CHEMBL407994_active,GLCM,Active
c1cc(sc1)NC(=O)c2ccc(cc2)NS(=O)(=O)c3ccc(cc3)Cl,CHEMBL264147_active,GLCM,Active
CCC[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O,CHEMBL1089185_active,GLCM,Active
CCCCCCCCCC(=O)N[C@H](CNC1C=C(C(C(C1O)O)O)CO)[C@H](c2ccccc2)O,CHEMBL57496_active,GLCM,Active
CCCCCCCCCC(=O)N[C@H](CNC1C=C(C(C(C1O)O)O)CO)[C@@H](c2ccccc2)O,CHEMBL60801_active,GLCM,Active
CCCCCCNC1CC(C(C(C1O)O)O)C,CHEMBL115510_active,GLCM,Active
c1cc(c(cc1Cl)Nc2nc(nc(n2)N3CCCC3)NCCO)O,CHEMBL237350_active,GLCM,Active
C1CC2(C(C1CC(C2O)O)N)O,CHEMBL325028_active,GLCM,Active
CCOc1ccccc1Nc2nc(nc(n2)N3CCCC3)NCCO,CHEMBL441134_active,GLCM,Active
C1CN2C[C@@H]([C@H]([C@@H](C2C1O)O)O)O,CHEMBL421040_active,GLCM,Active
CCOc1ccc(cc1Nc2nc(nc(n2)N3CCCC3)NCCO)Cl,CHEMBL237560_active,GLCM,Active
C1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1O2)O)O)O,CHEMBL35833_active,GLCM,Active
Cc1cc(nc2c1cc(cc2)NC(=O)C3CCC(CC3)C)N4CCN(CC4)c5ncccn5,CHEMBL259330_active,GLCM,Active