smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCn1c(=O)c2ccc3c4c(nn3CC[NH+](C)C)-c3cc([N+](=O)[O-])ccc3-n(c42)c1=O ZINC000003842819 562929642 /nfs/dbraw/zinc/92/96/42/562929642.db2.gz MZPDKSMUCXBFFA-UHFFFAOYSA-N 1 3 463.498 1.514 1 5 JDBFHO