smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)/C=C/C(=CC=[N+](C)C)/C=C/[NH+](C)C ZINC000018143367 172349423 /nfs/dbraw/zinc/34/94/23/172349423.db2.gz GAOZRQIEJDHFHP-UHFFFAOYSA-N 2 3 222.356 1.406 1 30 BDEFHP