smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=c1c(C(=O)NCC[NH+]2CCOCC2)cc2c(=O)n3ccccc3nc2n1CCCO ZINC000101782609 568791855 /nfs/dbraw/zinc/79/18/55/568791855.db2.gz LCHZJQKGLCRDOB-UHFFFAOYSA-N 1 2 426.477 -0.427 40 5 IBBBLO