smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(CCNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000217030406 568470302 /nfs/dbraw/zinc/47/03/02/568470302.db2.gz NGGGFQQTXOJSJP-UHFFFAOYSA-N 2 1 422.411 3.509 40 70 HHIBMP