smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(Cl)c(O)c(C2CCCC2)c1 ZINC000038615251 372716873 /nfs/dbraw/zinc/71/68/73/372716873.db2.gz HDCOPLJVLHIPBO-UHFFFAOYSA-N 0 2 241.674 3.611 10 5 BHBELN Cc1ccc(-c2ccc(O)c([N+](=O)[O-])c2)c(C)c1 ZINC000095494876 178325906 /nfs/dbraw/zinc/32/59/06/178325906.db2.gz QFSVTECCOXMHAB-UHFFFAOYSA-N 0 2 243.262 3.584 10 5 BHBELN O=[N+]([O-])c1cc(-c2cccc(Cl)c2)ccc1O ZINC000095494897 188145600 /nfs/dbraw/zinc/14/56/00/188145600.db2.gz IURRLPFQHZRASI-UHFFFAOYSA-N 0 2 249.653 3.621 10 5 BHBELN O=[N+]([O-])c1cc(-c2ccc(Cl)cc2)ccc1O ZINC000095494898 187287805 /nfs/dbraw/zinc/28/78/05/187287805.db2.gz ZDWWIOZDQXIJGF-UHFFFAOYSA-N 0 2 249.653 3.621 10 5 BHBELN O=[N+]([O-])c1ccccc1-c1ccc(O)c(Cl)c1 ZINC000536953780 384807341 /nfs/dbraw/zinc/80/73/41/384807341.db2.gz MGFYLJYBCWCZAT-UHFFFAOYSA-N 0 2 249.653 3.621 10 5 BHBELN