smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c(-c2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000584642389 358328010 /nfs/dbraw/zinc/32/80/10/358328010.db2.gz MSHQATLTZAZFSN-UHFFFAOYSA-N 1 1 242.278 3.582 10 5 BHBEMO