smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCSC[C@H](C)[N@@H+]1CCCNCC1 ZINC000159495769 388017842 /nfs/dbraw/zinc/01/78/42/388017842.db2.gz YELSOHRDLDBEHU-JTQLQIEISA-N 1 3 202.367 1.423 50 70 BDIAHO CCSC[C@H](C)[N@H+]1CCCNCC1 ZINC000159495769 388017843 /nfs/dbraw/zinc/01/78/43/388017843.db2.gz YELSOHRDLDBEHU-JTQLQIEISA-N 1 3 202.367 1.423 50 70 BDIAHO CCSC[C@@H](C)[N@@H+]1CCCNCC1 ZINC000159495620 388018642 /nfs/dbraw/zinc/01/86/42/388018642.db2.gz YELSOHRDLDBEHU-SNVBAGLBSA-N 1 3 202.367 1.423 50 70 BDIAHO CCSC[C@@H](C)[N@H+]1CCCNCC1 ZINC000159495620 388018647 /nfs/dbraw/zinc/01/86/47/388018647.db2.gz YELSOHRDLDBEHU-SNVBAGLBSA-N 1 3 202.367 1.423 50 70 BDIAHO