smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](O)[C@@H](N)CC(N)=O)[C@@H]1Cc2cccc(O)c2C(=O)O1 ZINC000014417871 560221287 /nfs/dbraw/zinc/22/12/87/560221287.db2.gz DCPWYLSPIAHJFU-YKRRISCLSA-N 0 3 423.466 -1.071 1 0 in-vitro HAAFHN