smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000003884712	204113333	/nfs/dbraw/zinc/11/33/33/204113333.db2.gz	YLLPJSJHTNHCRY-UHFFFAOYSA-N	-1	2	352.324	2.102	50	5		FEBALM
CCOc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1	ZINC000328595874	553794677	/nfs/dbraw/zinc/79/46/77/553794677.db2.gz	HYVFRYUZSKALBU-UHFFFAOYSA-N	-1	2	366.351	2.493	50	5		FEBALM
Cc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc(F)cc4)C3=C2O)cc1[N+](=O)[O-]	ZINC000103555639	206234378	/nfs/dbraw/zinc/23/43/78/206234378.db2.gz	BKCHBGKVJZTYME-GOEBONIOSA-N	-1	2	369.308	2.335	50	5		FEBALM
O=C([O-])c1cccc(-c2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)c1	ZINC000013592481	539588494	/nfs/dbraw/zinc/58/84/94/539588494.db2.gz	LFLKMCIKENDCDD-GQCTYLIASA-N	-1	2	369.289	2.100	50	5		FEBALM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000009220080	539499599	/nfs/dbraw/zinc/49/95/99/539499599.db2.gz	FEZYUYRTBOSPRA-UHFFFAOYSA-N	-1	2	366.351	2.411	50	5		FEBALM
Cn1c(=O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c([O-])c2ccccc21	ZINC000000887921	210285777	/nfs/dbraw/zinc/28/57/77/210285777.db2.gz	DDKBEDLQMNMQFZ-UHFFFAOYSA-N	-1	2	355.306	2.110	50	5		FEBALM
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2ON=C(c3ccc(F)cc3)C2=C1O	ZINC000101343105	222270735	/nfs/dbraw/zinc/27/07/35/222270735.db2.gz	DJVBVKDGXSKYIZ-GOEBONIOSA-N	-1	2	369.308	2.335	50	5		FEBALM
O=C1[C@@H]2ON=C(c3ccc(F)cc3)C2=C(O)N1c1cccc([N+](=O)[O-])c1	ZINC000103560584	222339713	/nfs/dbraw/zinc/33/97/13/222339713.db2.gz	DPCWFQHMPAMFFM-UKRRQHHQSA-N	-1	2	355.281	2.026	50	5		FEBALM
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2ON=C(c3ccc(F)cc3)C2=C1O	ZINC000101343699	222270057	/nfs/dbraw/zinc/27/00/57/222270057.db2.gz	HDHFHLPFEOKSPN-GOEBONIOSA-N	-1	2	369.308	2.335	50	5		FEBALM
O=C([O-])c1ccccc1-c1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])o1	ZINC000004727223	204158724	/nfs/dbraw/zinc/15/87/24/204158724.db2.gz	XHNFNUMONNFFCJ-FNORWQNLSA-N	-1	2	369.289	2.100	50	5		FEBALM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000013026845	206299934	/nfs/dbraw/zinc/29/99/34/206299934.db2.gz	QKMVAWDSOSVRLZ-UHFFFAOYSA-N	-1	2	352.324	2.102	50	5		FEBALM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1	ZINC000036383918	204379153	/nfs/dbraw/zinc/37/91/53/204379153.db2.gz	VYTXLLXFPDNWBF-UHFFFAOYSA-N	-1	2	352.324	2.102	50	5		FEBALM
O=C([O-])c1cccc(-c2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)c1	ZINC000030840491	208005913	/nfs/dbraw/zinc/00/59/13/208005913.db2.gz	LFLKMCIKENDCDD-XQRVVYSFSA-N	-1	2	369.289	2.100	50	5		FEBALM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000005150734	209503628	/nfs/dbraw/zinc/50/36/28/209503628.db2.gz	QIBYCNOVQSWUHR-UHFFFAOYSA-N	-1	2	366.351	2.411	50	5		FEBALM
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2ON=C(c3ccc(F)cc3)C2=C1O	ZINC000101343106	209224459	/nfs/dbraw/zinc/22/44/59/209224459.db2.gz	DJVBVKDGXSKYIZ-GDBMZVCRSA-N	-1	2	369.308	2.335	50	5		FEBALM
O=C([O-])c1ccc(-c2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)cc1	ZINC000005069030	207079080	/nfs/dbraw/zinc/07/90/80/207079080.db2.gz	NLQRAZINIHICHF-FNORWQNLSA-N	-1	2	369.289	2.100	50	5		FEBALM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000042122872	209247430	/nfs/dbraw/zinc/24/74/30/209247430.db2.gz	GWMYMXFLBMUTOP-UHFFFAOYSA-N	-1	2	352.324	2.102	50	5		FEBALM
O=C1[C@H]2ON=C(c3ccc(F)cc3)C2=C(O)N1c1cccc([N+](=O)[O-])c1	ZINC000103560569	222340022	/nfs/dbraw/zinc/34/00/22/222340022.db2.gz	DPCWFQHMPAMFFM-ZFWWWQNUSA-N	-1	2	355.281	2.026	50	5		FEBALM
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3ccc(F)cc3)C2=C1O	ZINC000101343697	222270409	/nfs/dbraw/zinc/27/04/09/222270409.db2.gz	HDHFHLPFEOKSPN-HOCLYGCPSA-N	-1	2	369.308	2.335	50	5		FEBALM
O=C1[C@@H]2ON=C(c3ccc(F)cc3)C2=C(O)N1c1cccc([N+](=O)[O-])c1	ZINC000103560580	222339792	/nfs/dbraw/zinc/33/97/92/222339792.db2.gz	DPCWFQHMPAMFFM-DZGCQCFKSA-N	-1	2	355.281	2.026	50	5		FEBALM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1	ZINC000042122874	540052327	/nfs/dbraw/zinc/05/23/27/540052327.db2.gz	PUIGCBKHGOTWED-UHFFFAOYSA-N	-1	2	352.324	2.102	50	5		FEBALM
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2ON=C(c3ccc(F)cc3)C2=C1O	ZINC000101343104	222269655	/nfs/dbraw/zinc/26/96/55/222269655.db2.gz	DJVBVKDGXSKYIZ-HOCLYGCPSA-N	-1	2	369.308	2.335	50	5		FEBALM
Cn1c(=O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c([O-])c2ccccc21	ZINC000017179838	220209534	/nfs/dbraw/zinc/20/95/34/220209534.db2.gz	CMZGVDCHRQIEKD-UHFFFAOYSA-N	-1	2	355.306	2.110	50	5		FEBALM
Cn1c([O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(=O)c2ccccc21	ZINC000017179838	220209537	/nfs/dbraw/zinc/20/95/37/220209537.db2.gz	CMZGVDCHRQIEKD-UHFFFAOYSA-N	-1	2	355.306	2.110	50	5		FEBALM