smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)c1cccc(Nc2cc(N)c3c(c2O)C(=[NH2+])C=C(Br)C3=O)c1 ZINC000005159420 717099603 /nfs/dbraw/zinc/09/96/03/717099603.db2.gz KYLAXXINCKZIBT-UHFFFAOYSA-O 2 0 416.299 3.758 10 30 HHEERP