smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC[C@H](C(=O)O)[C@@H](C)C(=O)[O-] ZINC000008214926 181535485 /nfs/dbraw/zinc/53/54/85/181535485.db2.gz CADNMISJDLVPCK-CABCVRRESA-N -1 2 300.439 4.719 10 30 in-vitro DJEELM CCCCCCCCCCCC[C@@H](C(=O)O)[C@@H](C)C(=O)[O-] ZINC000008681348 181572219 /nfs/dbraw/zinc/57/22/19/181572219.db2.gz CADNMISJDLVPCK-HUUCEWRRSA-N -1 2 300.439 4.719 10 30 DJEELM CCCCCCCCCCCC[C@@H](C(=O)O)[C@H](C)C(=O)[O-] ZINC000017653842 182085287 /nfs/dbraw/zinc/08/52/87/182085287.db2.gz CADNMISJDLVPCK-LSDHHAIUSA-N -1 2 300.439 4.719 10 30 DJEELM