smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1nc2ccc3[nH]c4c(c[nH+]c5ccccc45)c3c2s1 ZINC000045286110 175353298 /nfs/dbraw/zinc/35/32/98/175353298.db2.gz ALKDFQJDQKDPPP-UHFFFAOYSA-N 1 2 275.336 4.479 1 5 CIBFLO