smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1coc(-c2nc3c([nH]2)c2ccoc2c2ccccc32)c1 ZINC000045348846 175361761 /nfs/dbraw/zinc/36/17/61/175361761.db2.gz KVKQKVAKCXJGRP-UHFFFAOYSA-N 0 1 274.279 4.722 1 5 CJBFMN CC1(C)c2ccccc2N=C1/C=C/c1ccccc1[N+](=O)[O-] ZINC000096934721 185133316 /nfs/dbraw/zinc/13/33/16/185133316.db2.gz QLBDBWAZLVBJNV-VAWYXSNFSA-N 0 1 292.338 4.672 1 5 CJBFMN