smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC[C@@H](CC(=O)[O-])C(=O)O ZINC000002510057 346163232 /nfs/dbraw/zinc/16/32/32/346163232.db2.gz FPOGSOBFOIGXPR-JTQLQIEISA-N -1 2 230.304 2.913 10 30 BFEELM CCCCCCCCCC(C(=O)[O-])C(=O)O ZINC000002170162 346496894 /nfs/dbraw/zinc/49/68/94/346496894.db2.gz FWQNYUYRXNWOOM-UHFFFAOYSA-N -1 2 230.304 2.913 10 30 BFEELM CCCCCC/C=C/[C@@H](CC(=O)O)C(=O)[O-] ZINC000002568354 322811398 /nfs/dbraw/zinc/81/13/98/322811398.db2.gz KCYQMQGPYWZZNJ-JARNTUPDSA-N -1 2 228.288 2.689 10 30 BFEELM CCCCCCCCCO[P@@](=O)([O-])O ZINC000002560060 342724227 /nfs/dbraw/zinc/72/42/27/342724227.db2.gz WYAKJXQRALMWPB-UHFFFAOYSA-N -1 2 224.237 2.846 10 30 BFEELM CCCCCCCCCO[P@](=O)([O-])O ZINC000002560060 342724229 /nfs/dbraw/zinc/72/42/29/342724229.db2.gz WYAKJXQRALMWPB-UHFFFAOYSA-N -1 2 224.237 2.846 10 30 BFEELM CCCCCC/C=C/[C@H](CC(=O)O)C(=O)[O-] ZINC000100050289 384612836 /nfs/dbraw/zinc/61/28/36/384612836.db2.gz KCYQMQGPYWZZNJ-QROSGCPLSA-N -1 2 228.288 2.689 10 30 BFEELM