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+]1CCN(N/C(=N/[O-])c2nonc2N)CC1 ZINC000003129357 173089497 /nfs/dbraw/zinc/08/94/97/173089497.db2.gz BEDFRCZLPJFAHQ-UHFFFAOYSA-N 0 1 241.255 -1.460 40 30 BAEBMN