smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1nc2n(C[C@@H](O)[C@@H](O)[C@H](O)CO)c3ccccc3nc-2c(=O)[n-]1 ZINC000012495273 571694259 /nfs/dbraw/zinc/69/42/59/571694259.db2.gz ATANIONNQLTUND-CKYFFXLPSA-N -1 0 348.315 -2.340 1 5 endogenous,in-man EABFRM CON=c1nc([N+](=O)[O-])[n-]c2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000049792970 214033212 /nfs/dbraw/zinc/03/32/12/214033212.db2.gz HRMXJUIHGIGGQA-KQYNXXCUSA-N -1 0 342.268 -1.681 1 5 EABFRM