smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc([P@@](=O)([O-])O)c1[N+](=O)[O-] ZINC000026731377 179176227 /nfs/dbraw/zinc/17/62/27/179176227.db2.gz DLQIBCCFOWABRT-UHFFFAOYSA-N -1 2 217.117 0.706 1 5 BCBFLM Cc1cccc([P@](=O)([O-])O)c1[N+](=O)[O-] ZINC000026731377 179176228 /nfs/dbraw/zinc/17/62/28/179176228.db2.gz DLQIBCCFOWABRT-UHFFFAOYSA-N -1 2 217.117 0.706 1 5 BCBFLM