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+]1(Cc2ccc(P(c3ccccc3)c3ccccc3)cc2)CCCC1 ZINC000100007351 717141922 /nfs/dbraw/zinc/14/19/22/717141922.db2.gz WTEFIGPBGLRRTQ-UHFFFAOYSA-N 1 0 360.461 4.185 50 50 FIGARO