smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2ccccc2n2c3ccccc3[nH+]c12 ZINC000001637734 178298687 /nfs/dbraw/zinc/29/86/87/178298687.db2.gz MWJNCARPMWGPBR-UHFFFAOYSA-N 1 2 232.286 3.949 1 5 BHBFLO Cc1cc2ccccc2n2c3cc(O)ccc3[nH+]c12 ZINC000001638782 178299153 /nfs/dbraw/zinc/29/91/53/178299153.db2.gz VTOKYGJGDSMCLZ-UHFFFAOYSA-N 1 2 248.285 3.655 1 5 BHBFLO