smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)N/C=C/c1cc(O)c(O)c(O)c1 ZINC000013403309 560216364 /nfs/dbraw/zinc/21/63/64/560216364.db2.gz YTHSWGAFCFXWGB-XGACYXMMSA-N 1 0 432.274 2.704 10 10 in-vitro IFCERO CCOC(=O)COc1ccc(C(=O)c2cc(C[NH3+])c([O-])c(C[NH3+])c2)c(Cl)c1Cl ZINC000029344357 563078639 /nfs/dbraw/zinc/07/86/39/563078639.db2.gz CHANDFQUJOQEGD-UHFFFAOYSA-N 1 0 427.284 2.789 10 10 IFCERO