smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[n+]1ccc(C2=CC[NH2+]C2)cc1 28873883 171047720 /nfs/dbraw/zinc/04/77/20/171047720.db2.gz SLGDWRBUCQPWRT-UHFFFAOYSA-N 2 0 161.228 0.498 1 10 ACCFRP