smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name ON=C1CC(=NO)c2ccccc21 254478387 572741597 /nfs/dbraw/zinc/74/15/97/572741597.db2.gz VPQPJUDANCCIRW-UHFFFAOYSA-N -2 2 176.175 1.447 10 30 ADEELL O=CCC(=O)c1ccccc1O 138941609 343991397 /nfs/dbraw/zinc/99/13/97/343991397.db2.gz INSPSAHTPWMTAG-WAYWQWQTSA-N -2 2 164.160 1.647 10 30 ADEELL O=CCC(=O)c1ccccc1O 138941688 343991444 /nfs/dbraw/zinc/99/14/44/343991444.db2.gz INSPSAHTPWMTAG-AATRIKPKSA-N -2 2 164.160 1.647 10 30 ADEELL