smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[PH+](C[P@H+](C)C(C)(C)C)C(C)(C)C ZINC000059313547 385046752 /nfs/dbraw/zinc/04/67/52/385046752.db2.gz YJGHIDMONLDCCH-UHFFFAOYSA-N 2 1 220.277 4.764 50 0 BJAAMP C[PH+](CC[P@H+](C)C(C)(C)C)C(C)(C)C ZINC000083439309 384771662 /nfs/dbraw/zinc/77/16/62/384771662.db2.gz SIMSUOWKMVWQAI-UHFFFAOYSA-N 2 1 234.304 4.807 50 0 BJAAMP