smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1-c1cc([C@@](O)(c2c[nH+]cn2C)c2ccc(C#N)cc2)ccc1C#N ZINC000013488781 581092583 /nfs/dbraw/zinc/09/25/83/581092583.db2.gz KKJPSAVOCOHZGT-AREMUKBSSA-N 1 2 404.473 4.423 1 30 HIEFLO Cc1ccccc1-c1cc([C@](O)(c2c[nH+]cn2C)c2ccc(C#N)cc2)ccc1C#N ZINC000013488780 581092524 /nfs/dbraw/zinc/09/25/24/581092524.db2.gz KKJPSAVOCOHZGT-SANMLTNESA-N 1 2 404.473 4.423 1 30 HIEFLO