smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)CC[NH3+])O2)c(=O)[nH]c1=O ZINC000028236589 212609040 /nfs/dbraw/zinc/60/90/40/212609040.db2.gz DYTGENHMRAAUFU-OPRDCNLKSA-N 1 0 338.324 -0.297 1 10 EBCFRO CC(=O)NCC(=O)NCCC[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC000027719795 212573980 /nfs/dbraw/zinc/57/39/80/212573980.db2.gz NEYMLQXRWUSASQ-CQSZACIVSA-N 1 0 325.365 -0.637 1 10 EBCFRO