smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2nc(C)cc(Nc3ccccc3)c2c1 ZINC000006079464 342773343 /nfs/dbraw/zinc/77/33/43/342773343.db2.gz PFSFJCDWIOUEJM-UHFFFAOYSA-N 0 3 248.329 4.595 50 0 BJAAHN CC(C)(C)P(C1=CCC=C1)C(C)(C)C ZINC000098074341 368382393 /nfs/dbraw/zinc/38/23/93/368382393.db2.gz TYNWUPVVBOSDQU-UHFFFAOYSA-N 0 3 210.301 4.909 50 0 BJAAHN CC(C)[C@H]1CC[C@H](C(C)C)P1C1C=CC=C1 ZINC000098074350 368381602 /nfs/dbraw/zinc/38/16/02/368381602.db2.gz WNHCTFOUCLLPLV-HUUCEWRRSA-N 0 3 236.339 4.806 50 0 BJAAHN CC(C)[C@@H]1CC[C@@H](C(C)C)P1C1C=CC=C1 ZINC000098074352 368381314 /nfs/dbraw/zinc/38/13/14/368381314.db2.gz WNHCTFOUCLLPLV-GJZGRUSLSA-N 0 3 236.339 4.806 50 0 BJAAHN