smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH2+]=C(NC(=[NH2+])N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000223069161 569898397 /nfs/dbraw/zinc/89/83/97/569898397.db2.gz CNGBGNLGOGHETO-UHFFFAOYSA-N 2 0 461.613 5.641 30 30 JKECRP