smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CNC2CC[NH+](C)CC2)cc1C ZINC000035052743 490317519 /nfs/dbraw/zinc/31/75/19/490317519.db2.gz NNMNRVLCPLEQBY-UHFFFAOYSA-N 1 3 248.370 2.187 50 10 BECAHO CC[NH2+]CC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000131463563 170111836 /nfs/dbraw/zinc/11/18/36/170111836.db2.gz IWHCXGZKVGWRGL-UHFFFAOYSA-N 1 3 248.370 2.214 50 10 BECAHO