smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2c(NC[C@](O)(CC(C)(C)c3cc(F)cc4c3OCC4)C(F)(F)F)cccc2[nH+]1 ZINC000035952535 563121439 /nfs/dbraw/zinc/12/14/39/563121439.db2.gz VJGFOYBQOIPQFY-XMMPIXPASA-N 1 2 462.487 5.690 30 0 investigational JKACLO