smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc(=O)[n-]c(CN2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000161112717 496106531 /nfs/dbraw/zinc/10/65/31/496106531.db2.gz RXVFCCIMBQEHDA-LSDHHAIUSA-N -1 3 367.371 3.071 10 70 FGIEHM CCc1cc(=O)[n-]c(CN2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000161112576 496106320 /nfs/dbraw/zinc/10/63/20/496106320.db2.gz RXVFCCIMBQEHDA-HUUCEWRRSA-N -1 3 367.371 3.071 10 70 FGIEHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)c(=O)[n-]1 ZINC000159526587 495752317 /nfs/dbraw/zinc/75/23/17/495752317.db2.gz LWVKFDKTJXIATB-CQSZACIVSA-N -1 3 371.481 3.232 10 70 FGIEHM O=S(=O)([N-]Cc1ccc(OCC2CC2)nc1)c1ccc(Cl)s1 ZINC000159772935 495806134 /nfs/dbraw/zinc/80/61/34/495806134.db2.gz UBVSXOILSWZKIK-UHFFFAOYSA-N -1 3 358.872 3.064 10 70 FGIEHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)c(=O)[n-]1 ZINC000159526453 495752710 /nfs/dbraw/zinc/75/27/10/495752710.db2.gz LWVKFDKTJXIATB-AWEZNQCLSA-N -1 3 371.481 3.232 10 70 FGIEHM