smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CCO)c1nc[nH+]c(NN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000040614050 213358111 /nfs/dbraw/zinc/35/81/11/213358111.db2.gz NSTKKGLMKQSBLF-UHFFFAOYSA-N 2 2 325.373 -0.222 10 5 EBBELP