smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-][N+]([O-])(O)C[C@H]1O[C@@H](n2cnc3c2nc(Cl)nc3NC2CCCC2)[C@H](O)[C@@H]1O ZINC000169697574 717157068 /nfs/dbraw/zinc/15/70/68/717157068.db2.gz LQGVCUKRGRNXFR-IDTAVKCVSA-N -1 2 416.822 0.546 1 5 HCBFLM