smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2[nH+]c3ccc4ccccc4c3cc2c1 ZINC000003876018 387490999 /nfs/dbraw/zinc/49/09/99/387490999.db2.gz JEGZRTMZYUDVBF-UHFFFAOYSA-N 1 2 229.282 4.541 50 5 in-vitro BJBALO Cc1c2ccccc2[nH+]c2ccc3ccccc3c12 ZINC000004117021 368896628 /nfs/dbraw/zinc/89/66/28/368896628.db2.gz IIPYOAZDUATCMJ-UHFFFAOYSA-N 1 2 243.309 4.850 50 5 BJBALO CCc1c2ccccc2[nH+]c2ccc(Cl)cc21 ZINC000004661578 342749972 /nfs/dbraw/zinc/74/99/72/342749972.db2.gz ONYBEJCDWHAYIG-UHFFFAOYSA-N 1 2 241.721 4.604 50 5 BJBALO