smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)N/N=C\c1cccc2cc3cccnc3nc12 ZINC000027706517 717115307 /nfs/dbraw/zinc/11/53/07/717115307.db2.gz UEZFDXXSVZEFHJ-JAIQZWGSSA-O 1 0 322.392 1.939 1 50 DDGFRO