smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(/C=N\[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)cc1 ZINC000005611183 409322131 /nfs/dbraw/zinc/32/21/31/409322131.db2.gz HJAWJHKKIRRCDA-KLNWVNMKSA-N 0 3 310.350 -1.029 40 30 DAEBHN CN(C)c1ccc(/C=N\[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)cc1 ZINC000005611186 282280653 /nfs/dbraw/zinc/28/06/53/282280653.db2.gz HJAWJHKKIRRCDA-MMPFUIMESA-N 0 3 310.350 -1.029 40 30 DAEBHN