smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc2ccccc2c1CNc1ccccc1 ZINC000001679824 183284528 /nfs/dbraw/zinc/28/45/28/183284528.db2.gz ONZQZPLUYZQTIB-UHFFFAOYSA-N -1 3 249.313 4.158 40 10 BICBHM O=C1C=CC(=NNc2ccc(Cl)cc2)C=C1[O-] ZINC000017835962 183268253 /nfs/dbraw/zinc/26/82/53/183268253.db2.gz LRXYXWXDAXRCMG-CCEZHUSRSA-N -1 3 248.669 4.167 40 10 BICBHM O=C1C=CC(=NNc2ccc(Cl)cc2)C=C1[O-] ZINC000104252010 183267443 /nfs/dbraw/zinc/26/74/43/183267443.db2.gz LRXYXWXDAXRCMG-PFONDFGASA-N -1 3 248.669 4.167 40 10 BICBHM