smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c2cc3c(cc2c(=O)n1CC#CCN1CCCCC1)c(=O)n(CC#CC[NH+]1CCCCC1)c3=O ZINC000001582351 194128700 /nfs/dbraw/zinc/12/87/00/194128700.db2.gz OTOKHVNJWQHYIV-UHFFFAOYSA-N 1 3 486.572 0.891 40 30 JCEBHO