smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#C/C=C1/c2ccccc2N=C(N2CC[N+]([O-])(CCO)CC2)c2ccccc21 ZINC000040434116 717127118 /nfs/dbraw/zinc/12/71/18/717127118.db2.gz XYWFOEZWLAQWAS-GIJQJNRQSA-N 0 0 374.444 2.656 1 50 FFGFRN