smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1c(CN2CCNCC[NH2+]CC2)n[nH]c1CN1CCNCC[NH2+]CC1 ZINC000068606315 482601230 /nfs/dbraw/zinc/60/12/30/482601230.db2.gz LIKDWGADZYVEGP-UHFFFAOYSA-N 2 3 350.515 -1.601 50 0 FAAAHP