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+]1CCC(CCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)CC1 ZINC000217030522 570311869 /nfs/dbraw/zinc/31/18/69/570311869.db2.gz ZAKYKKDFIGHUKU-UHFFFAOYSA-N 2 1 395.950 3.539 40 70 GHIBMP