smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[NH+](CCO)CCO)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826409713 607922908 /nfs/dbraw/zinc/92/29/08/607922908.db2.gz LWBYEZCFDWVCOW-UHFFFAOYSA-N 1 2 349.351 -2.086 20 50 EAGDLO