smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=P([O-])([O-])C[N+]([O-])(CP(=O)([O-])[O-])CP(=O)([O-])[O-] ZINC000139854517 373381584 /nfs/dbraw/zinc/38/15/84/373381584.db2.gz MERLEQFZXKHIFG-UHFFFAOYSA-O -6 3 316.056 -1.402 10 5 DABEHL O=P([O-])([O-])C[N+]([O-])(CP(=O)([O-])[O-])CP(=O)([O-])[O-] ZINC000033992875 372792289 /nfs/dbraw/zinc/79/22/89/372792289.db2.gz RJDKJZWFJWJOOI-UHFFFAOYSA-N -6 3 315.048 -1.293 10 5 DABEHL