smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1cc([C@@H](c2cc3c(cc2O)OCO3)[NH+]2CCOCC2)cc(C(C)(C)C)c1O	ZINC000031771971	556526218	/nfs/dbraw/zinc/52/62/18/556526218.db2.gz	XNARHFDDQALZPZ-QHCPKHFHSA-N	1	2	441.568	4.843	10	10		IJCELO
COc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)c1O	ZINC000036348457	569081886	/nfs/dbraw/zinc/08/18/86/569081886.db2.gz	DIKRVUYRNGFQCA-NRFANRHFSA-N	1	2	427.888	4.759	10	10		IJCELO
COc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)c1O	ZINC000036348457	569081887	/nfs/dbraw/zinc/08/18/87/569081887.db2.gz	DIKRVUYRNGFQCA-NRFANRHFSA-N	1	2	427.888	4.759	10	10		IJCELO
COc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cc([N+](=O)[O-])ccc2Cl)c1O	ZINC000036348458	569081895	/nfs/dbraw/zinc/08/18/95/569081895.db2.gz	DIKRVUYRNGFQCA-OAQYLSRUSA-N	1	2	427.888	4.759	10	10		IJCELO
COc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2cc([N+](=O)[O-])ccc2Cl)c1O	ZINC000036348458	569081896	/nfs/dbraw/zinc/08/18/96/569081896.db2.gz	DIKRVUYRNGFQCA-OAQYLSRUSA-N	1	2	427.888	4.759	10	10		IJCELO
CC(C)(C)c1cc([C@H](c2cc3c(cc2O)OCO3)[NH+]2CCOCC2)cc(C(C)(C)C)c1O	ZINC000031771970	556526166	/nfs/dbraw/zinc/52/61/66/556526166.db2.gz	XNARHFDDQALZPZ-HSZRJFAPSA-N	1	2	441.568	4.843	10	10		IJCELO