smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c(-c2nonc2N)nc2c1c(OCCC[NH3+])cnc2C#CCO ZINC000040955526 487814871 /nfs/dbraw/zinc/81/48/71/487814871.db2.gz LWLOLQIXHMFYND-UHFFFAOYSA-N 1 0 357.374 0.155 30 30 FCECRO