smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CC(=O)OCC[N+](C)(C)C 1677404 342957289 /nfs/dbraw/zinc/95/72/89/342957289.db2.gz KIOYNXICNYWOKF-UHFFFAOYSA-N 2 2 189.279 -0.203 40 5 ABBBLP