smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[NH2+]C(C)(C)[NH2+]CCCC 238236703 573476071 /nfs/dbraw/zinc/47/60/71/573476071.db2.gz SAIBJIUVWXIPRZ-UHFFFAOYSA-N 2 1 186.343 2.502 10 0 AFAEMP