smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc(-c2ccccc2[O-])nc2cccc(Br)c21 ZINC000019509826 212035672 /nfs/dbraw/zinc/03/56/72/212035672.db2.gz CRNMLFXJGFSZGR-UHFFFAOYSA-N -2 3 344.164 4.068 10 0 EIAEHL CC(C)=CCc1c(O)ccc(-c2coc3cc([O-])ccc3c2=O)c1[O-] ZINC000014819472 563765236 /nfs/dbraw/zinc/76/52/36/563765236.db2.gz NNCFAUGCNTZUIW-UHFFFAOYSA-N -2 3 338.359 4.086 10 0 biogenic,in-vitro EIAEHL CC1(C)C=Cc2cc(-c3coc4cc([O-])cc([O-])c4c3=O)ccc2O1 ZINC000014559467 560222395 /nfs/dbraw/zinc/22/23/95/560222395.db2.gz WTNXJYOYGPGIJK-UHFFFAOYSA-N -2 3 336.343 4.055 10 0 biogenic,in-vitro EIAEHL