smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-] ZINC000005167283 373367679 /nfs/dbraw/zinc/36/76/79/373367679.db2.gz QDSLHWJDSQGPEE-LXGUWJNJSA-N -2 0 301.188 -3.118 10 30 in-vitro DAEERL