smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C(O)=Cc1cc(Cl)ncc1[N+](=O)[O-] ZINC000115490532 347438468 /nfs/dbraw/zinc/43/84/68/347438468.db2.gz QMPFDBOEONYNNO-UHFFFAOYSA-N -1 1 272.644 1.318 30 0 CDACMM CCOC(=O)C([O-])=Cc1cc(Cl)ncc1[N+](=O)[O-] ZINC000115490532 347438470 /nfs/dbraw/zinc/43/84/70/347438470.db2.gz QMPFDBOEONYNNO-UHFFFAOYSA-N -1 1 272.644 1.318 30 0 CDACMM