smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)C[C@@H](O)CNc1c2ccc([N+](=O)[O-])cc2[nH+]c2cc(OC)c(OC)cc21 ZINC000017146604 563021425 /nfs/dbraw/zinc/02/14/25/563021425.db2.gz CUFPWHJUFXFYBJ-HNNXBMFYSA-N 2 1 428.489 3.428 10 10 IGCEMP CC[NH+](CC)C[C@H](O)CNc1c2ccc([N+](=O)[O-])cc2[nH+]c2cc(OC)c(OC)cc21 ZINC000004428559 562943313 /nfs/dbraw/zinc/94/33/13/562943313.db2.gz CUFPWHJUFXFYBJ-OAHLLOKOSA-N 2 1 428.489 3.428 10 10 IGCEMP