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+]1CCC[NH2+]CC1 ZINC000159495769 388017836 /nfs/dbraw/zinc/01/78/36/388017836.db2.gz YELSOHRDLDBEHU-JTQLQIEISA-N 2 1 202.367 1.423 50 70 BDIAMP CCSC[C@H](C)[N@H+]1CCC[NH2+]CC1 ZINC000159495769 388017839 /nfs/dbraw/zinc/01/78/39/388017839.db2.gz YELSOHRDLDBEHU-JTQLQIEISA-N 2 1 202.367 1.423 50 70 BDIAMP CCSC[C@@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC000159495620 388018634 /nfs/dbraw/zinc/01/86/34/388018634.db2.gz YELSOHRDLDBEHU-SNVBAGLBSA-N 2 1 202.367 1.423 50 70 BDIAMP CCSC[C@@H](C)[N@H+]1CCC[NH2+]CC1 ZINC000159495620 388018638 /nfs/dbraw/zinc/01/86/38/388018638.db2.gz YELSOHRDLDBEHU-SNVBAGLBSA-N 2 1 202.367 1.423 50 70 BDIAMP