smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c(Br)cccc1[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228974639 1033213941 /nfs/dbraw/zinc/21/39/41/1033213941.db2.gz VAIGSLZROFTDOF-QMMMGPOBSA-N -2 2 384.182 3.917 20 5 GHBDLL