smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cn([C@@H]2C[C@H]([N+](=O)[O-])[C@@H](CO)O2)c(=O)[nH]c1=O ZINC000027551481 171520641 /nfs/dbraw/zinc/52/06/41/171520641.db2.gz STLCSWMENRFYNO-RNJXMRFFSA-N 0 2 271.229 -1.230 1 5 CABFLN Cc1cn([C@@H]2CC([N+](=O)[O-])[C@@H](CO)O2)c(=O)[nH]c1=O ZINC000027551481 171520642 /nfs/dbraw/zinc/52/06/42/171520642.db2.gz STLCSWMENRFYNO-RNJXMRFFSA-N 0 2 271.229 -1.230 1 5 CABFLN