smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CP(C[P@@H+](C)C(C)(C)C)C(C)(C)C ZINC000059313547 385046767 /nfs/dbraw/zinc/04/67/67/385046767.db2.gz YJGHIDMONLDCCH-UHFFFAOYSA-N 1 3 220.277 4.764 50 0 BJAAHO CP(C[P@H+](C)C(C)(C)C)C(C)(C)C ZINC000059313547 385046761 /nfs/dbraw/zinc/04/67/61/385046761.db2.gz YJGHIDMONLDCCH-UHFFFAOYSA-N 1 3 220.277 4.764 50 0 BJAAHO CP(CC[P@@H+](C)C(C)(C)C)C(C)(C)C ZINC000083439309 384771682 /nfs/dbraw/zinc/77/16/82/384771682.db2.gz SIMSUOWKMVWQAI-UHFFFAOYSA-N 1 3 234.304 4.807 50 0 BJAAHO CP(CC[P@H+](C)C(C)(C)C)C(C)(C)C ZINC000083439309 384771672 /nfs/dbraw/zinc/77/16/72/384771672.db2.gz SIMSUOWKMVWQAI-UHFFFAOYSA-N 1 3 234.304 4.807 50 0 BJAAHO