smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C[C@H]1OC(=O)Cc2cc3c(c([O-])c21)C(=O)c1c(O)cccc1C3=O ZINC000006093806 560205243 /nfs/dbraw/zinc/20/52/43/560205243.db2.gz QZENCFIHIPLZMU-LLVKDONJSA-N -1 1 367.313 0.889 1 10 in-vitro FCCFMM NC(=O)C[C@@H]1OC(=O)Cc2cc3c(c([O-])c21)C(=O)c1c(O)cccc1C3=O ZINC000005648475 560202605 /nfs/dbraw/zinc/20/26/05/560202605.db2.gz QZENCFIHIPLZMU-NSHDSACASA-N -1 1 367.313 0.889 1 10 in-vitro FCCFMM