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@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)N/C=C/c1cc(O)c(O)c(O)c1 ZINC000013403309 560216368 /nfs/dbraw/zinc/21/63/68/560216368.db2.gz YTHSWGAFCFXWGB-XGACYXMMSA-N 0 1 432.274 2.704 10 10 in-vitro IFCEMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccccc1Cl ZINC000041077945 520691126 /nfs/dbraw/zinc/69/11/26/520691126.db2.gz AZNUWNJNPFWGTH-UHFFFAOYSA-N 0 1 430.844 2.946 10 10 IFCEMN