smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C(=O)[N-]c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)c([N+](=O)[O-])cc1OC	ZINC000008790495	553146609	/nfs/dbraw/zinc/14/66/09/553146609.db2.gz	CIJYMNUEKGIEBZ-UHFFFAOYSA-N	-1	3	508.534	2.495	40	5		KEBBHM
COc1ccc(S(=O)(=O)[N-]CC(=O)NCC(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1	ZINC000100390918	554366706	/nfs/dbraw/zinc/36/67/06/554366706.db2.gz	BZCRHQIFXKJCBS-UHFFFAOYSA-N	-1	3	574.524	2.442	40	5		KEBBHM
Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2)ccc1Br	ZINC000138709928	571451844	/nfs/dbraw/zinc/45/18/44/571451844.db2.gz	FAFHCHPXQFAOJF-CQSZACIVSA-N	-1	3	519.308	2.341	40	5		KEBBHM
Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2)ccc1Br	ZINC000138710048	571451909	/nfs/dbraw/zinc/45/19/09/571451909.db2.gz	FAFHCHPXQFAOJF-AWEZNQCLSA-N	-1	3	519.308	2.341	40	5		KEBBHM
CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1	ZINC000138978328	571452650	/nfs/dbraw/zinc/45/26/50/571452650.db2.gz	FYILTGBMCXJWID-GOSISDBHSA-N	-1	3	526.502	2.227	40	5		KEBBHM
CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1	ZINC000138978441	571452635	/nfs/dbraw/zinc/45/26/35/571452635.db2.gz	FYILTGBMCXJWID-SFHVURJKSA-N	-1	3	526.502	2.227	40	5		KEBBHM
Cc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000138998146	571452803	/nfs/dbraw/zinc/45/28/03/571452803.db2.gz	BSKVOGJNUKDEOZ-CQSZACIVSA-N	-1	3	519.308	2.341	40	5		KEBBHM
Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000138998270	571452799	/nfs/dbraw/zinc/45/27/99/571452799.db2.gz	BSKVOGJNUKDEOZ-AWEZNQCLSA-N	-1	3	519.308	2.341	40	5		KEBBHM
CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1	ZINC000408654623	572305164	/nfs/dbraw/zinc/30/51/64/572305164.db2.gz	KOQFZBKKWSNNML-GOSISDBHSA-N	-1	3	526.502	2.083	40	5		KEBBHM
CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1	ZINC000408654626	572305159	/nfs/dbraw/zinc/30/51/59/572305159.db2.gz	KOQFZBKKWSNNML-SFHVURJKSA-N	-1	3	526.502	2.083	40	5		KEBBHM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Br)cc1	ZINC000408659928	572308142	/nfs/dbraw/zinc/30/81/42/572308142.db2.gz	TYSFXAKDDUIYOT-CYBMUJFWSA-N	-1	3	505.281	2.033	40	5		KEBBHM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Br)cc1	ZINC000408659929	572308123	/nfs/dbraw/zinc/30/81/23/572308123.db2.gz	TYSFXAKDDUIYOT-ZDUSSCGKSA-N	-1	3	505.281	2.033	40	5		KEBBHM