smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2nc3c(c(N4CCCC4)n2)CN(Cc2ccc([N+](=O)[O-])cc2)CC3)CC1 ZINC000034755413 568738031 /nfs/dbraw/zinc/73/80/31/568738031.db2.gz VBWUVSXXUCCOGR-UHFFFAOYSA-N 2 1 437.548 2.295 50 5 IEBAMP