smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000790392389	1078013707	/nfs/dbraw/zinc/01/37/07/1078013707.db2.gz	USJXGVGAIJOFFU-UHFFFAOYSA-N	-2	0	413.339	2.758	20	5		HFBDRL
Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c(C)c1[N+](=O)[O-]	ZINC000790399551	1078025885	/nfs/dbraw/zinc/02/58/85/1078025885.db2.gz	QNKQDPCXWJGROW-UHFFFAOYSA-N	-2	0	413.339	2.758	20	5		HFBDRL
Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c(C)c1[N+](=O)[O-]	ZINC000790394182	1078013916	/nfs/dbraw/zinc/01/39/16/1078013916.db2.gz	NRLAKNKACYGNJS-UHFFFAOYSA-N	-2	0	409.376	2.548	20	5		HFBDRL
COc1nc(Br)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000788761644	1077279852	/nfs/dbraw/zinc/27/98/52/1077279852.db2.gz	LOHYIFMRETYTJV-UHFFFAOYSA-N	-2	0	418.225	2.576	20	5		HFBDRL
O=C(Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC001170165276	1077811664	/nfs/dbraw/zinc/81/16/64/1077811664.db2.gz	RLKYFQRGAYYRLE-UHFFFAOYSA-N	-2	0	401.272	2.870	20	5		HFBDRL
Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000790394782	1078014314	/nfs/dbraw/zinc/01/43/14/1078014314.db2.gz	VVPNPWYRKMXUFJ-UHFFFAOYSA-N	-2	0	413.339	2.758	20	5		HFBDRL
Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1[N+](=O)[O-]	ZINC000792697579	1077977787	/nfs/dbraw/zinc/97/77/87/1077977787.db2.gz	JNUZQFVJUDHVBT-UHFFFAOYSA-N	-2	0	421.309	2.575	20	5		HFBDRL
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)cc1[N+](=O)[O-]	ZINC000790403104	1078026470	/nfs/dbraw/zinc/02/64/70/1078026470.db2.gz	HZTHTNYVASGCIT-UHFFFAOYSA-N	-2	0	416.795	2.764	20	5		HFBDRL
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C	ZINC000790393994	1078013974	/nfs/dbraw/zinc/01/39/74/1078013974.db2.gz	OPSQSHFFDMJZLO-UHFFFAOYSA-N	-2	0	409.376	2.927	20	5		HFBDRL
Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c(C)c1[N+](=O)[O-]	ZINC000790386313	1078011923	/nfs/dbraw/zinc/01/19/23/1078011923.db2.gz	MLXYEGZUCJTMEH-UHFFFAOYSA-N	-2	0	409.376	2.548	20	5		HFBDRL
Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C	ZINC000790381815	1078009444	/nfs/dbraw/zinc/00/94/44/1078009444.db2.gz	CDZWNNMSDYXMEY-UHFFFAOYSA-N	-2	0	409.376	2.927	20	5		HFBDRL
O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1	ZINC000003097238	568854639	/nfs/dbraw/zinc/85/46/39/568854639.db2.gz	DQUDBNSXPYZBGR-UHFFFAOYSA-N	-2	0	401.194	2.856	20	5		HFBDRL
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1	ZINC000793404261	1078169245	/nfs/dbraw/zinc/16/92/45/1078169245.db2.gz	FXNVPAZWGAVSIS-UHFFFAOYSA-N	-2	0	420.378	2.931	20	5		HFBDRL
C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000788018365	1077030325	/nfs/dbraw/zinc/03/03/25/1077030325.db2.gz	CQKAGMIWCNQTPJ-ZDUSSCGKSA-N	-2	0	402.407	2.621	20	5		HFBDRL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)c1	ZINC000790086151	1077944913	/nfs/dbraw/zinc/94/49/13/1077944913.db2.gz	ZJILUUVXSGHERM-UHFFFAOYSA-N	-2	0	419.184	2.995	20	5		HFBDRL
C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000788018363	1077029930	/nfs/dbraw/zinc/02/99/30/1077029930.db2.gz	CQKAGMIWCNQTPJ-CYBMUJFWSA-N	-2	0	402.407	2.621	20	5		HFBDRL
O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000747072907	1077862155	/nfs/dbraw/zinc/86/21/55/1077862155.db2.gz	UJQOUIUVFFQGON-UHFFFAOYSA-N	-2	0	419.184	2.995	20	5		HFBDRL
Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1C(=O)[O-]	ZINC000790388890	1078012433	/nfs/dbraw/zinc/01/24/33/1078012433.db2.gz	JAVIPKRSGVRKRJ-UHFFFAOYSA-N	-2	0	409.376	2.927	20	5		HFBDRL