smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(C[NH2+]CCN[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575419945	382104032	/nfs/dbraw/zinc/10/40/32/382104032.db2.gz	BKKULMLUTBLNDS-OLZOCXBDSA-N	1	0	329.378	-0.568	40	5		EBBBRO
C[C@H]1C(=O)O[C@H]2CC[N+]3(C)CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	ZINC000005208228	375904296	/nfs/dbraw/zinc/90/42/96/375904296.db2.gz	ASLANYWDKQVZPR-UUDONXOHSA-N	1	0	340.396	-0.248	40	5		EBBBRO
O=[N+]([O-])c1ccc(C[NH2+]CCN[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575419947	382103479	/nfs/dbraw/zinc/10/34/79/382103479.db2.gz	BKKULMLUTBLNDS-STQMWFEESA-N	1	0	329.378	-0.568	40	5		EBBBRO
O=[N+]([O-])c1ccc(C[NH2+]CCN[C@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575419946	382103455	/nfs/dbraw/zinc/10/34/55/382103455.db2.gz	BKKULMLUTBLNDS-QWHCGFSZSA-N	1	0	329.378	-0.568	40	5		EBBBRO
C[C@@H]1C(=O)O[C@@H]2CC[N+]3(C)CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	ZINC000005208224	287190537	/nfs/dbraw/zinc/19/05/37/287190537.db2.gz	ASLANYWDKQVZPR-VMHBHNRLSA-N	1	0	340.396	-0.248	40	5		EBBBRO
C[C@H]1C(=O)O[C@@H]2CC[N+]3(C)CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	ZINC000005208225	375903937	/nfs/dbraw/zinc/90/39/37/375903937.db2.gz	ASLANYWDKQVZPR-NQGXOVPKSA-N	1	0	340.396	-0.248	40	5		EBBBRO
C[C@@H]1C(=O)O[C@H]2CC[N+]3(C)CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	ZINC000005208227	296263843	/nfs/dbraw/zinc/26/38/43/296263843.db2.gz	ASLANYWDKQVZPR-PLIVUGFUSA-N	1	0	340.396	-0.248	40	5		EBBBRO
O=[N+]([O-])c1ccc(C[NH2+]CCN[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575419944	382103056	/nfs/dbraw/zinc/10/30/56/382103056.db2.gz	BKKULMLUTBLNDS-CHWSQXEVSA-N	1	0	329.378	-0.568	40	5		EBBBRO
C[NH+]1CCN(c2nc(=NN)nc(Nc3ccc([N+](=O)[O-])cc3)[nH]2)CC1	ZINC000108415519	421204631	/nfs/dbraw/zinc/20/46/31/421204631.db2.gz	LOIMHNHCIZFMQD-UHFFFAOYSA-N	1	0	345.367	0.561	40	5		EBBBRO