smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC(CNC(=[NH2+])NCCCN2CCOCC2)([NH+]2CCCCC2)CC1 ZINC000304783887 1197026029 /nfs/dbraw/zinc/02/60/29/1197026029.db2.gz HJMZBZKWYZXHRV-UHFFFAOYSA-N 2 3 380.581 0.563 10 30 GCEEHP