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(Nc1ccccc1)c1nn(-c2ccccc2Br)c(=O)[nH]1 ZINC000036533603 208164124 /nfs/dbraw/zinc/16/41/24/208164124.db2.gz VRHYBLWUDUQWBX-UHFFFAOYSA-N 0 2 359.183 2.988 30 0 FFACLN O=C(OCc1ccccc1)c1nn(-c2ccc(Br)cc2)c(=O)[nH]1 ZINC000036533609 506407252 /nfs/dbraw/zinc/40/72/52/506407252.db2.gz MRDZDMUBDGRJFO-UHFFFAOYSA-N 0 2 374.194 2.680 30 0 FFACLN