smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCSC(=S)Nc1ccccc1 ZINC000001692462 528132532 /nfs/dbraw/zinc/13/25/32/528132532.db2.gz IGWTWEINFRRYTK-UHFFFAOYSA-N 0 2 281.490 5.477 40 30 CKEBLN CSc1ccccc1N=CC1Sc2ccccc2C1=O ZINC000006408393 170199136 /nfs/dbraw/zinc/19/91/36/170199136.db2.gz YOEQDVYXSMDYTK-LICLKQGHSA-N 0 2 299.420 5.079 40 30 CKEBLN CSc1ccccc1N=Cc1sc2ccccc2c1O ZINC000006408393 170199135 /nfs/dbraw/zinc/19/91/35/170199135.db2.gz YOEQDVYXSMDYTK-LICLKQGHSA-N 0 2 299.420 5.079 40 30 CKEBLN S=C(Nc1ccccc1)SCc1ccc(Cl)cc1 ZINC000006514429 170208808 /nfs/dbraw/zinc/20/88/08/170208808.db2.gz KVZAZUVADQHIKW-UHFFFAOYSA-N 0 2 293.844 5.191 40 30 CKEBLN