smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=NN1CC[N+]2(CC1)CC[N+]1(CCN(N=O)CC1)CC2 ZINC000005377009 304725688 /nfs/dbraw/zinc/72/56/88/304725688.db2.gz ALNJWJWLYKXHNL-UHFFFAOYSA-N 2 0 284.364 -0.372 50 5 CBBARP