smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@H]1O[C@@H](CC(=O)[O-])C[C@@]23O[C@@]12C(=O)c1c(O)cccc1C3=O ZINC000015217862 560229383 /nfs/dbraw/zinc/22/93/83/560229383.db2.gz RJPAAOHQLUUTRQ-BUDJLTQYSA-N -1 2 346.335 1.711 1 10 in-vitro EDCFLM CCO[P@](=O)([O-])[C@H]([NH2+][C@H](C(=O)[O-])[C@@H](C)O)c1ccccc1O ZINC000073277051 216372697 /nfs/dbraw/zinc/37/26/97/216372697.db2.gz OWPKNAOSOJRVNB-ZHAHWJHGSA-N -1 2 333.277 1.036 1 10 EDCFLM CCC[C@@H]1O[C@@H](CC(=O)[O-])C[C@@]23O[C@@]12C(=O)c1c(O)cccc1C3=O ZINC000015217860 560229459 /nfs/dbraw/zinc/22/94/59/560229459.db2.gz RJPAAOHQLUUTRQ-MLSKFCDMSA-N -1 2 346.335 1.711 1 10 in-vitro EDCFLM CCO[P@](=O)([O-])[C@@H]([NH2+][C@H](C(=O)[O-])[C@@H](C)O)c1ccccc1O ZINC000073277055 203263491 /nfs/dbraw/zinc/26/34/91/203263491.db2.gz OWPKNAOSOJRVNB-JFUSQASVSA-N -1 2 333.277 1.036 1 10 EDCFLM