smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c(=O)c2cc(Br)cc(Br)c2nc1SCC(=O)[O-] ZINC000004294397 569071183 /nfs/dbraw/zinc/07/11/83/569071183.db2.gz UALNVUDNLMYZJW-UHFFFAOYSA-N -1 0 422.098 3.118 30 0 HGACRM