smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCCNC(=[NH2+])NCCS 95586623 169142073 /nfs/dbraw/zinc/14/20/73/169142073.db2.gz ASLYUHCEVFDONP-UHFFFAOYSA-N 1 1 162.262 -1.011 1 30 AAEFMO