smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[C@H](CCCCC)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228971809 1131987688 /nfs/dbraw/zinc/98/76/88/1131987688.db2.gz RXGXHRZDKRJQAK-LLVKDONJSA-N -2 2 281.308 3.520 20 30 CHEDLL