smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)OC([C@H](OC(C)=O)C(=O)C[N+]#N)[C@H](OC(C)=O)C(=O)C[N+]#N ZINC000005431790 482534241 /nfs/dbraw/zinc/53/42/41/482534241.db2.gz PWMLOHHAGDIDHP-VXGBXAGGSA-N 2 0 354.275 -1.479 40 10 FACBRP CC(=O)OC([C@@H](OC(C)=O)C(=O)C[N+]#N)[C@@H](OC(C)=O)C(=O)C[N+]#N ZINC000005431808 482534279 /nfs/dbraw/zinc/53/42/79/482534279.db2.gz PWMLOHHAGDIDHP-RYUDHWBXSA-N 2 0 354.275 -1.479 40 10 FACBRP