smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1c2ccccc2S(=O)(=O)N=C1NCC[NH+](C)C ZINC000015444039 348041443 /nfs/dbraw/zinc/04/14/43/348041443.db2.gz GVJWRWGDBCKOSJ-UHFFFAOYSA-N 1 1 282.369 0.332 30 0 CCACMO