smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000014270357	555762223	/nfs/dbraw/zinc/76/22/23/555762223.db2.gz	NTFXNQAPRINMMG-UHFFFAOYSA-N	-1	0	452.275	4.994	40	5		JJBBRM
COc1ccccc1C(=O)NC([N-]c1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F	ZINC000015276997	555892612	/nfs/dbraw/zinc/89/26/12/555892612.db2.gz	DRJPNLQNMQJUHG-UHFFFAOYSA-N	-1	0	494.373	4.876	40	5		JJBBRM
COc1ccc(S(=O)(=O)c2c(C)c(NC(=O)c3ccc([N+](=O)[O-])cc3)cc(C(C)C)c2[O-])cc1	ZINC000026786949	556263341	/nfs/dbraw/zinc/26/33/41/556263341.db2.gz	PWSLVDKYSRGKIQ-UHFFFAOYSA-N	-1	0	484.530	4.826	40	5		JJBBRM
CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000106726423	569855167	/nfs/dbraw/zinc/85/51/67/569855167.db2.gz	QHEOXCNLRWCZQZ-SXGWCWSVSA-N	-1	0	479.308	4.698	40	5		JJBBRM
COc1cc([N+](=O)[O-])cc(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c1OC	ZINC000408632933	569984161	/nfs/dbraw/zinc/98/41/61/569984161.db2.gz	HRTYLIFZQLTSLK-OVCLIPMQSA-N	-1	0	463.855	4.533	40	5		JJBBRM
CCc1nnc(S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)[O-])o1	ZINC000408633304	569984451	/nfs/dbraw/zinc/98/44/51/569984451.db2.gz	XQUPCWQEHXOWJX-ODLFYWEKSA-N	-1	0	450.476	4.761	40	5		JJBBRM
CCn1c(S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2OC)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408633721	569984724	/nfs/dbraw/zinc/98/47/24/569984724.db2.gz	OTRKNSCPQYGXJY-LICLKQGHSA-N	-1	0	490.925	4.762	40	5		JJBBRM
COc1ccccc1N1C(=O)c2cccc3c(-c4cccc(C(=O)[O-])c4)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408998218	570095830	/nfs/dbraw/zinc/09/58/30/570095830.db2.gz	UBFGMYMFUSLWHA-UHFFFAOYSA-N	-1	0	468.421	4.922	40	5		JJBBRM
CN(C)c1ccc(N2C(=O)c3cccc4c(-c5cccc(C(=O)[O-])c5)c([N+](=O)[O-])cc(c43)C2=O)cc1	ZINC000409000351	570096167	/nfs/dbraw/zinc/09/61/67/570096167.db2.gz	YQUKBLRGLRQBJD-UHFFFAOYSA-N	-1	0	481.464	4.980	40	5		JJBBRM
CCn1c(SCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1Cl	ZINC000409162383	570152316	/nfs/dbraw/zinc/15/23/16/570152316.db2.gz	DKBMRHPJUJYEMQ-UHFFFAOYSA-N	-1	0	468.322	4.616	40	5		JJBBRM
O=C1S/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1	ZINC000409208684	570168319	/nfs/dbraw/zinc/16/83/19/570168319.db2.gz	DUSVFERIOLCQOR-AWNIVKPZSA-N	-1	0	455.673	4.957	40	5		JJBBRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2Cl)c1	ZINC000408549030	570194435	/nfs/dbraw/zinc/19/44/35/570194435.db2.gz	VVORZQZYEMYDMR-UHFFFAOYSA-N	-1	0	459.911	4.918	40	5		JJBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C(C)C	ZINC000409331116	570204207	/nfs/dbraw/zinc/20/42/07/570204207.db2.gz	DTLKHMGCEJWYKF-LUAWRHEFSA-N	-1	0	494.504	4.506	40	5		JJBBRM
O=C1N(c2ccccc2)C([O-])=C2ON(c3ccccc3)[C@H](c3ccccc3)[C@]12c1ccc([N+](=O)[O-])cc1	ZINC000009109204	554897643	/nfs/dbraw/zinc/89/76/43/554897643.db2.gz	XRYDYBKKKRWOKG-GEBXHLAXSA-N	-1	0	491.503	4.968	40	5		JJBBRM
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000014270369	555762560	/nfs/dbraw/zinc/76/25/60/555762560.db2.gz	FPGOJROINPOZCI-UHFFFAOYSA-N	-1	0	469.350	4.724	40	5		JJBBRM
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1[O-]	ZINC000026787005	556263412	/nfs/dbraw/zinc/26/34/12/556263412.db2.gz	PMTOTEPYXOXQRI-UHFFFAOYSA-N	-1	0	460.895	4.656	40	5		JJBBRM
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1	ZINC000032116592	556424336	/nfs/dbraw/zinc/42/43/36/556424336.db2.gz	GXBOBNKJWLMWFJ-UHFFFAOYSA-N	-1	0	484.262	4.889	40	5		JJBBRM
CCCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4[N+](=O)[O-])N(c4ccccc4)O[C@@H]3C2=O)cc1	ZINC000101194408	569786807	/nfs/dbraw/zinc/78/68/07/569786807.db2.gz	DDQWRVUFIHYGNV-DSITVLBTSA-N	-1	0	487.512	4.825	40	5		JJBBRM
O=C1S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C(=O)N1Cc1ccc(Cl)cc1	ZINC000214178908	569876419	/nfs/dbraw/zinc/87/64/19/569876419.db2.gz	DXQFBHJQCUPMRA-MKMNVTDBSA-N	-1	0	469.700	4.953	40	5		JJBBRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1Cl	ZINC000408545357	570192765	/nfs/dbraw/zinc/19/27/65/570192765.db2.gz	KUUNOKXABQUOGY-UHFFFAOYSA-N	-1	0	459.911	4.918	40	5		JJBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)[nH]1	ZINC000409319808	570201002	/nfs/dbraw/zinc/20/10/02/570201002.db2.gz	MFGMWPJSUNCDPG-CLTKARDFSA-N	-1	0	478.686	4.961	40	5		JJBBRM
O=c1[nH]c(C=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)nc([O-])c1[N+](=O)[O-]	ZINC000409327096	570202439	/nfs/dbraw/zinc/20/24/39/570202439.db2.gz	HWKGUAUOVMUYQQ-YWEYNIOJSA-N	-1	0	478.686	4.961	40	5		JJBBRM
O=C(NC([N-]c1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F)c1ccccc1	ZINC000002050344	194156478	/nfs/dbraw/zinc/15/64/78/194156478.db2.gz	RVALRXZLYFQZGR-UHFFFAOYSA-N	-1	0	464.347	4.867	40	5		JJBBRM
CC(C)(C)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2)cc1	ZINC000020489252	519021098	/nfs/dbraw/zinc/02/10/98/519021098.db2.gz	NQYQIPKUWXQGKU-UHFFFAOYSA-N	-1	0	453.520	4.945	40	5		JJBBRM
Cc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2[N+](=O)[O-])N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002746377	554324290	/nfs/dbraw/zinc/32/42/90/554324290.db2.gz	XXLAQTHWGZUYKE-QHCPKHFHSA-N	-1	0	454.442	4.741	40	5		JJBBRM
CC(C)(C)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000020034683	555609309	/nfs/dbraw/zinc/60/93/09/555609309.db2.gz	UHTNTODPOJOHSP-UHFFFAOYSA-N	-1	0	453.520	4.945	40	5		JJBBRM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1	ZINC000014155436	555713776	/nfs/dbraw/zinc/71/37/76/555713776.db2.gz	SJYNHJHTBQYDBT-UHFFFAOYSA-N	-1	0	489.937	4.927	40	5		JJBBRM
Cc1c(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1[O-]	ZINC000026786991	556263291	/nfs/dbraw/zinc/26/32/91/556263291.db2.gz	KWCIMGSZFRCRFU-UHFFFAOYSA-N	-1	0	460.895	4.656	40	5		JJBBRM
COc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000214716955	569876939	/nfs/dbraw/zinc/87/69/39/569876939.db2.gz	HQPDTODRFWGSAZ-VIZOYTHASA-N	-1	0	455.275	4.852	40	5		JJBBRM
CCn1c(S/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408631855	569983379	/nfs/dbraw/zinc/98/33/79/569983379.db2.gz	GVAQXNPLXBLYRH-BOPFTXTBSA-N	-1	0	460.899	4.753	40	5		JJBBRM
Cc1nnc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)[O-])o1	ZINC000408632565	569983829	/nfs/dbraw/zinc/98/38/29/569983829.db2.gz	RJQFHDAXEKVBBV-AUWJEWJLSA-N	-1	0	452.242	4.527	40	5		JJBBRM
O=C([O-])c1ccc(CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1	ZINC000408750641	570034010	/nfs/dbraw/zinc/03/40/10/570034010.db2.gz	PTEVYTQXLFXXHM-UHFFFAOYSA-N	-1	0	491.506	4.996	40	5		JJBBRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000408921949	570077521	/nfs/dbraw/zinc/07/75/21/570077521.db2.gz	MHEHAWGJQGNQDV-UHFFFAOYSA-N	-1	0	475.910	4.618	40	5		JJBBRM
O=C([O-])c1ccc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2cccc(O)c2)C4=O)cc1	ZINC000408993911	570094995	/nfs/dbraw/zinc/09/49/95/570094995.db2.gz	YBMMDIBAALWMDW-UHFFFAOYSA-N	-1	0	454.394	4.619	40	5		JJBBRM
O=C([O-])c1cccc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccccc2O)C4=O)c1	ZINC000408995082	570095254	/nfs/dbraw/zinc/09/52/54/570095254.db2.gz	IPHSDBGVXBPURH-UHFFFAOYSA-N	-1	0	454.394	4.619	40	5		JJBBRM
O=C([O-])CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O	ZINC000409131358	570140244	/nfs/dbraw/zinc/14/02/44/570140244.db2.gz	XRRFRFMGYQLNHN-VIZOYTHASA-N	-1	0	483.285	4.602	40	5		JJBBRM
O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000408545485	570192991	/nfs/dbraw/zinc/19/29/91/570192991.db2.gz	ZELTUGWWHREOOL-UHFFFAOYSA-N	-1	0	495.948	4.856	40	5		JJBBRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1Cl	ZINC000408547236	570193699	/nfs/dbraw/zinc/19/36/99/570193699.db2.gz	XGYKLQJBDIMXRP-UHFFFAOYSA-N	-1	0	459.911	4.918	40	5		JJBBRM
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nnc([N-]c2ccn(Cc3c(Cl)cccc3Cl)n2)s1	ZINC000002731038	554315137	/nfs/dbraw/zinc/31/51/37/554315137.db2.gz	URTQYBTXYZICLC-LLVKDONJSA-N	-1	0	479.353	4.742	40	5		JJBBRM
Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2[N+](=O)[O-])N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002746378	554324311	/nfs/dbraw/zinc/32/43/11/554324311.db2.gz	XXLAQTHWGZUYKE-HSZRJFAPSA-N	-1	0	454.442	4.741	40	5		JJBBRM
O=C1N(c2cccc([N+](=O)[O-])c2)C([O-])=C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]12c1ccccc1	ZINC000009087933	554889766	/nfs/dbraw/zinc/88/97/66/554889766.db2.gz	RYAHVHBGHKSZTJ-WWPJHQMMSA-N	-1	0	491.503	4.968	40	5		JJBBRM
O=C1N(c2ccccc2)C([O-])=C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]12c1ccc([N+](=O)[O-])cc1	ZINC000009427318	555192083	/nfs/dbraw/zinc/19/20/83/555192083.db2.gz	XRYDYBKKKRWOKG-WWPJHQMMSA-N	-1	0	491.503	4.968	40	5		JJBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl	ZINC000033598456	569628504	/nfs/dbraw/zinc/62/85/04/569628504.db2.gz	IGHQVPDGHKPDBD-SOFGYWHQSA-N	-1	0	478.288	4.839	40	5		JJBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c1[O-]	ZINC000106725349	569855200	/nfs/dbraw/zinc/85/52/00/569855200.db2.gz	GTIXGWCEZMFKNF-PXNMLYILSA-N	-1	0	479.308	4.698	40	5		JJBBRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2OC)C(=O)[O-])o1	ZINC000408630814	569982561	/nfs/dbraw/zinc/98/25/61/569982561.db2.gz	BHWHNCVNERFIOM-FRKPEAEDSA-N	-1	0	493.881	4.542	40	5		JJBBRM
CCOc1cc(/C=C(\Sc2nnc(CC)o2)C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408632819	569984042	/nfs/dbraw/zinc/98/40/42/569984042.db2.gz	TVYVFPDFNOWUER-UNOMPAQXSA-N	-1	0	471.491	4.736	40	5		JJBBRM
O=c1[nH]c(-c2cc(I)c([O-])c([N+](=O)[O-])c2)nc2sc3c(c21)CCCCCC3	ZINC000408990892	570093980	/nfs/dbraw/zinc/09/39/80/570093980.db2.gz	OTWILSDRJHTPSV-UHFFFAOYSA-N	-1	0	497.314	4.941	40	5		JJBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000409327435	570202506	/nfs/dbraw/zinc/20/25/06/570202506.db2.gz	TXRGJEBLIXYOIB-DJWKRKHSSA-N	-1	0	494.338	4.694	40	5		JJBBRM
CC(C)(C)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000020490107	519020881	/nfs/dbraw/zinc/02/08/81/519020881.db2.gz	JGWYZQMESFXKAE-UHFFFAOYSA-N	-1	0	453.520	4.945	40	5		JJBBRM
O=C1N(c2ccccc2)C([O-])=C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]12c1ccc([N+](=O)[O-])cc1	ZINC000009109203	554897715	/nfs/dbraw/zinc/89/77/15/554897715.db2.gz	XRYDYBKKKRWOKG-IWVFXYMLSA-N	-1	0	491.503	4.968	40	5		JJBBRM
O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000014270350	555762304	/nfs/dbraw/zinc/76/23/04/555762304.db2.gz	VTRBUVLMXZQVBT-UHFFFAOYSA-N	-1	0	452.275	4.994	40	5		JJBBRM
O=C1[N-]C(=O)/C(=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)N1	ZINC000059427692	569603589	/nfs/dbraw/zinc/60/35/89/569603589.db2.gz	SFKSHINLLUEPAT-JCMHNJIXSA-N	-1	0	450.454	4.900	40	5		JJBBRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)[O-])o2)c1	ZINC000408633140	569984366	/nfs/dbraw/zinc/98/43/66/569984366.db2.gz	LTODJTDSCZGVJR-NDENLUEZSA-N	-1	0	494.485	4.671	40	5		JJBBRM
COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)[O-])n[nH]2)c1	ZINC000408634472	569985188	/nfs/dbraw/zinc/98/51/88/569985188.db2.gz	UZYJERGGSWOZAW-NDENLUEZSA-N	-1	0	494.485	4.875	40	5		JJBBRM
COc1ccccc1N1C(=O)c2cccc3c(-c4ccc(C(=O)[O-])cc4)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408987504	570092854	/nfs/dbraw/zinc/09/28/54/570092854.db2.gz	BFQODVVEKDDHLK-UHFFFAOYSA-N	-1	0	468.421	4.922	40	5		JJBBRM
O=C1S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C(=O)N1c1cccc(Cl)c1	ZINC000409199495	570164709	/nfs/dbraw/zinc/16/47/09/570164709.db2.gz	DTORHZROIBUFEG-WLRTZDKTSA-N	-1	0	455.673	4.957	40	5		JJBBRM
O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000016399967	526346119	/nfs/dbraw/zinc/34/61/19/526346119.db2.gz	HHKFNDMBPAWOAN-UHFFFAOYSA-N	-1	0	480.285	4.987	40	5		JJBBRM
Cc1nn(C[C@H](C)c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)c(C)c1[N+](=O)[O-]	ZINC000002730985	554315220	/nfs/dbraw/zinc/31/52/20/554315220.db2.gz	FYMJULBYTRWOBK-NSHDSACASA-N	-1	0	490.952	4.844	40	5		JJBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCCOc1ccc(C(C)(C)C)cc1	ZINC000033446827	569626479	/nfs/dbraw/zinc/62/64/79/569626479.db2.gz	QWMUKUGPYXATHZ-WUXMJOGZSA-N	-1	0	495.532	4.708	40	5		JJBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000037089070	569781320	/nfs/dbraw/zinc/78/13/20/569781320.db2.gz	WJCSNRYJYSNISQ-UHFFFAOYSA-N	-1	0	452.275	4.994	40	5		JJBBRM
O=C([O-])c1cn(C(=O)c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c2ccccc12	ZINC000226767603	570038278	/nfs/dbraw/zinc/03/82/78/570038278.db2.gz	CZVDRGNCWSHKHW-UHFFFAOYSA-N	-1	0	455.220	4.959	40	5		JJBBRM
O=C([O-])CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O	ZINC000409122615	570136468	/nfs/dbraw/zinc/13/64/68/570136468.db2.gz	AGJFBOIZHPCTMP-VIZOYTHASA-N	-1	0	483.285	4.602	40	5		JJBBRM
O=C1S/C(=C/c2cc([N+](=O)[O-])cc(I)c2[O-])C(=O)N1CC1CCCCC1	ZINC000409141967	570145009	/nfs/dbraw/zinc/14/50/09/570145009.db2.gz	JWCBCLYVLAEGSY-VGOFMYFVSA-N	-1	0	488.303	4.522	40	5		JJBBRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000408573935	570205268	/nfs/dbraw/zinc/20/52/68/570205268.db2.gz	FVLJVCJHFFMVET-UHFFFAOYSA-N	-1	0	475.910	4.618	40	5		JJBBRM
COc1ccc(-c2nc(=O)c3sc4nc(C(F)F)cc(C)c4c3[n-]2)cc1Cn1cc([N+](=O)[O-])cn1	ZINC000022818729	523227729	/nfs/dbraw/zinc/22/77/29/523227729.db2.gz	RYCMOZHZLJZKKT-UHFFFAOYSA-N	-1	0	498.471	4.607	40	5		JJBBRM
Cc1cc([N+](=O)[O-])nn1C[C@@H](C)c1nnc([N-]c2ccn(Cc3c(F)cccc3Cl)n2)s1	ZINC000002731169	554315613	/nfs/dbraw/zinc/31/56/13/554315613.db2.gz	UNLPHLPCAMRPRT-LLVKDONJSA-N	-1	0	476.925	4.536	40	5		JJBBRM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	ZINC000008810302	554689990	/nfs/dbraw/zinc/68/99/90/554689990.db2.gz	JTZRNJRURROKPO-UHFFFAOYSA-N	-1	0	463.874	4.749	40	5		JJBBRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2Cl)c(C)c1	ZINC000014155755	555714257	/nfs/dbraw/zinc/71/42/57/555714257.db2.gz	GELNMQRNXZIOAW-UHFFFAOYSA-N	-1	0	459.911	4.918	40	5		JJBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000032690733	556470769	/nfs/dbraw/zinc/47/07/69/556470769.db2.gz	PPNPGHICZKTISH-YVMONPNESA-N	-1	0	478.288	4.839	40	5		JJBBRM
O=C([O-])C(=Cc1cc([N+](=O)[O-])ccc1N1CCCC1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408633886	569984814	/nfs/dbraw/zinc/98/48/14/569984814.db2.gz	MSTOFSGDQGRWNC-LDADJPATSA-N	-1	0	471.926	4.851	40	5		JJBBRM
O=c1[nH]c(-c2cc(I)c([O-])c([N+](=O)[O-])c2)nc2sc3c(c21)CCCCC3	ZINC000408993960	570095043	/nfs/dbraw/zinc/09/50/43/570095043.db2.gz	XRRKSTAYZAWWHU-UHFFFAOYSA-N	-1	0	483.287	4.551	40	5		JJBBRM
CCOc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409155021	570150357	/nfs/dbraw/zinc/15/03/57/570150357.db2.gz	LEPVKMXNYRDLAV-SXGWCWSVSA-N	-1	0	479.308	4.698	40	5		JJBBRM
O=c1[n-]c(SCc2ccccc2Cl)n[n+]2c1-c1ccccc1N[C@H]2c1ccc([O-])c([N+](=O)[O-])c1	ZINC000261365864	570169209	/nfs/dbraw/zinc/16/92/09/570169209.db2.gz	VXEGGYIXVZTDJZ-OAQYLSRUSA-O	-1	0	494.940	4.669	40	5		JJBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl	ZINC000409312395	570199400	/nfs/dbraw/zinc/19/94/00/570199400.db2.gz	LGCWMDWDNZOMAR-KXFIGUGUSA-N	-1	0	464.261	4.861	40	5		JJBBRM
O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)C=Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000016384217	526346135	/nfs/dbraw/zinc/34/61/35/526346135.db2.gz	JSDMXTILGGLMGE-DUXPYHPUSA-N	-1	0	474.709	4.780	40	5		JJBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000014270325	555762208	/nfs/dbraw/zinc/76/22/08/555762208.db2.gz	IPKGVBMPLHCHLT-UHFFFAOYSA-N	-1	0	452.275	4.994	40	5		JJBBRM
O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000014270356	555762323	/nfs/dbraw/zinc/76/23/23/555762323.db2.gz	YWXZYOOFIDHCGH-UHFFFAOYSA-N	-1	0	469.350	4.724	40	5		JJBBRM
COc1ccc(S(=O)(=O)c2c([O-])c(C)cc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(C)C)cc1	ZINC000026786980	556263318	/nfs/dbraw/zinc/26/33/18/556263318.db2.gz	MNUTWCFYLIAIQN-UHFFFAOYSA-N	-1	0	484.530	4.826	40	5		JJBBRM
O=C1S/C(=C\c2cc([N+](=O)[O-])cc(Br)c2[O-])C(=O)N1c1ccc(Cl)cc1	ZINC000059459836	569604213	/nfs/dbraw/zinc/60/42/13/569604213.db2.gz	JOYGDCMELQMDBZ-MLPAPPSSSA-N	-1	0	455.673	4.957	40	5		JJBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)[nH]1	ZINC000035145776	569675739	/nfs/dbraw/zinc/67/57/39/569675739.db2.gz	YSJXAAUIODRDIU-VQHVLOKHSA-N	-1	0	484.299	4.773	40	5		JJBBRM
CCc1nc(SC(=Cc2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408631231	569982817	/nfs/dbraw/zinc/98/28/17/569982817.db2.gz	GPGYTOBHACFEGJ-NDENLUEZSA-N	-1	0	463.519	4.805	40	5		JJBBRM
COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)[O-])n[nH]2)c1	ZINC000408631397	569982988	/nfs/dbraw/zinc/98/29/88/569982988.db2.gz	DSAVPJDYJUOYTK-NDENLUEZSA-N	-1	0	494.485	4.875	40	5		JJBBRM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000408547952	570194037	/nfs/dbraw/zinc/19/40/37/570194037.db2.gz	OYBRRNJVELCENO-UHFFFAOYSA-N	-1	0	475.910	4.618	40	5		JJBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1	ZINC000409325986	570202177	/nfs/dbraw/zinc/20/21/77/570202177.db2.gz	FFRPXHDCZQTPAZ-HJWRWDBZSA-N	-1	0	488.294	4.707	40	5		JJBBRM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1	ZINC000008810461	554690395	/nfs/dbraw/zinc/69/03/95/554690395.db2.gz	HOVPKNLXNIKLKJ-UHFFFAOYSA-N	-1	0	463.874	4.749	40	5		JJBBRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2Cl)cc1	ZINC000014154879	555712446	/nfs/dbraw/zinc/71/24/46/555712446.db2.gz	FCSLQRUZBUQAGH-UHFFFAOYSA-N	-1	0	459.911	4.918	40	5		JJBBRM
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1[O-]	ZINC000026786924	556263231	/nfs/dbraw/zinc/26/32/31/556263231.db2.gz	RPUUDLSJZVQPKU-UHFFFAOYSA-N	-1	0	460.895	4.656	40	5		JJBBRM
Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)C)c([O-])c1S(=O)(=O)c1ccccc1	ZINC000026786938	556263238	/nfs/dbraw/zinc/26/32/38/556263238.db2.gz	PHRWAOGOZIJMKT-UHFFFAOYSA-N	-1	0	454.504	4.817	40	5		JJBBRM
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1	ZINC000032116779	556425133	/nfs/dbraw/zinc/42/51/33/556425133.db2.gz	YJNYIRJEXRLWHT-UHFFFAOYSA-N	-1	0	484.262	4.889	40	5		JJBBRM
CCCc1nc(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)[O-])n[nH]1	ZINC000408632590	569983853	/nfs/dbraw/zinc/98/38/53/569983853.db2.gz	ROIOHWXZSABWLR-DHDCSXOGSA-N	-1	0	479.312	4.906	40	5		JJBBRM
CCCc1nc(SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C(=O)[O-])n[nH]1	ZINC000408633147	569984364	/nfs/dbraw/zinc/98/43/64/569984364.db2.gz	WKJNSGRKHMDCBI-MOSHPQCFSA-N	-1	0	484.534	4.861	40	5		JJBBRM
CCCc1nc(SC(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408633326	569984457	/nfs/dbraw/zinc/98/44/57/569984457.db2.gz	XRZRAFYZGDCXBS-NDENLUEZSA-N	-1	0	463.519	4.886	40	5		JJBBRM
O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)o2)cc1	ZINC000408917290	570075728	/nfs/dbraw/zinc/07/57/28/570075728.db2.gz	QKMCJDNXYUATII-YBFXNURJSA-N	-1	0	450.428	4.790	40	5		JJBBRM
CCOc1ccc2nc(Sc3ccc([C@@H]4N[C@@H](C(=O)[O-])CS4)cc3[N+](=O)[O-])sc2c1	ZINC000408994620	570095169	/nfs/dbraw/zinc/09/51/69/570095169.db2.gz	ZZWPFTCQRHHKFJ-CXAGYDPISA-N	-1	0	463.562	4.543	40	5		JJBBRM
Cc1nnc(SC(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])[nH]1	ZINC000409190558	570161756	/nfs/dbraw/zinc/16/17/56/570161756.db2.gz	ZMFPONYHEGKQAS-MFOYZWKCSA-N	-1	0	491.323	4.581	40	5		JJBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)[nH]1	ZINC000409319646	570200855	/nfs/dbraw/zinc/20/08/55/570200855.db2.gz	JPXVDDMQIYKKIJ-CLTKARDFSA-N	-1	0	478.686	4.961	40	5		JJBBRM
COc1ccc([N-]S(=O)(=O)c2ccc(NCc3c4ccccc4nc4ccccc43)cc2)nn1	ZINC000005464570	524692606	/nfs/dbraw/zinc/69/26/06/524692606.db2.gz	KVWANGRNPHZGOZ-UHFFFAOYSA-N	-1	0	471.542	4.600	40	5		JJBBRM
O=C([O-])c1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(Cl)cc1Cl	ZINC000020153200	555671819	/nfs/dbraw/zinc/67/18/19/555671819.db2.gz	HBYWNDGTCGETOX-UHFFFAOYSA-N	-1	0	497.360	4.717	40	5		JJBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1	ZINC000014398246	555803970	/nfs/dbraw/zinc/80/39/70/555803970.db2.gz	DTVIKRJWPZTQAF-UHFFFAOYSA-N	-1	0	497.554	4.658	40	5		JJBBRM
C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1	ZINC000016995465	556198907	/nfs/dbraw/zinc/19/89/07/556198907.db2.gz	VIIUZRFDNPKPBJ-DPOVEGGPSA-N	-1	0	468.897	4.519	40	5		JJBBRM
O=C(Nc1cc(Br)c([O-])c(Br)c1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000032116376	556423276	/nfs/dbraw/zinc/42/32/76/556423276.db2.gz	ZNWNRVKRIKCBFT-UHFFFAOYSA-N	-1	0	450.470	4.731	40	5		JJBBRM
O=C(Nc1cc(Br)c([O-])c(Br)c1)c1cc([N+](=O)[O-])ccc1Br	ZINC000032116458	556423649	/nfs/dbraw/zinc/42/36/49/556423649.db2.gz	RFMQDWWCJYVKIB-UHFFFAOYSA-N	-1	0	494.921	4.840	40	5		JJBBRM
COc1ccc(N2C(=O)c3cccc4c(-c5cccc(C(=O)[O-])c5)c([N+](=O)[O-])cc(c34)C2=O)cc1	ZINC000409001150	570096309	/nfs/dbraw/zinc/09/63/09/570096309.db2.gz	UUGJFMDDBYXHDM-UHFFFAOYSA-N	-1	0	468.421	4.922	40	5		JJBBRM
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1	ZINC000409175958	570156806	/nfs/dbraw/zinc/15/68/06/570156806.db2.gz	FZMVXQVSWHNMJJ-MDWZMJQESA-N	-1	0	457.895	4.701	40	5		JJBBRM
Cc1nn(C[C@@H](C)c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)c(C)c1[N+](=O)[O-]	ZINC000002730984	554314970	/nfs/dbraw/zinc/31/49/70/554314970.db2.gz	FYMJULBYTRWOBK-LLVKDONJSA-N	-1	0	490.952	4.844	40	5		JJBBRM
Cc1cc([N+](=O)[O-])nn1C[C@H](C)c1nnc([N-]c2ccn(Cc3c(F)cccc3Cl)n2)s1	ZINC000002731170	554315585	/nfs/dbraw/zinc/31/55/85/554315585.db2.gz	UNLPHLPCAMRPRT-NSHDSACASA-N	-1	0	476.925	4.536	40	5		JJBBRM
CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)cc2Cl	ZINC000008765709	554666530	/nfs/dbraw/zinc/66/65/30/554666530.db2.gz	KCWWLPUOOGXUOJ-UHFFFAOYSA-N	-1	0	473.290	4.934	40	5		JJBBRM
O=C1N(c2cccc([N+](=O)[O-])c2)C([O-])=C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]12c1ccccc1	ZINC000009087934	554889777	/nfs/dbraw/zinc/88/97/77/554889777.db2.gz	RYAHVHBGHKSZTJ-HFASVGIHSA-N	-1	0	491.503	4.968	40	5		JJBBRM
O=C1N(c2ccccc2)C([O-])=C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]12c1ccc([N+](=O)[O-])cc1	ZINC000009109205	554897659	/nfs/dbraw/zinc/89/76/59/554897659.db2.gz	XRYDYBKKKRWOKG-HFASVGIHSA-N	-1	0	491.503	4.968	40	5		JJBBRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2Cl)cc1C	ZINC000014155107	555713103	/nfs/dbraw/zinc/71/31/03/555713103.db2.gz	CEQKAXMLUNTXFE-UHFFFAOYSA-N	-1	0	459.911	4.918	40	5		JJBBRM
CCCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccccc3[N+](=O)[O-])C2=O)cc1	ZINC000101194413	569786771	/nfs/dbraw/zinc/78/67/71/569786771.db2.gz	DDQWRVUFIHYGNV-SDHSZQHLSA-N	-1	0	487.512	4.825	40	5		JJBBRM
Cc1nnc(S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])o1	ZINC000408632257	569983612	/nfs/dbraw/zinc/98/36/12/569983612.db2.gz	PJSQXTVBWGOQHR-MFOYZWKCSA-N	-1	0	492.307	4.846	40	5		JJBBRM
O=C([O-])c1ccc(CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)cc1	ZINC000408750589	570033999	/nfs/dbraw/zinc/03/39/99/570033999.db2.gz	PDGOWAHKXGYESI-UHFFFAOYSA-N	-1	0	491.506	4.996	40	5		JJBBRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1[N+](=O)[O-]	ZINC000408923907	570077980	/nfs/dbraw/zinc/07/79/80/570077980.db2.gz	HZBZBTMVXVZBHN-UHFFFAOYSA-N	-1	0	497.554	4.658	40	5		JJBBRM
CCOc1ccc2nc(Sc3ccc([C@H]4N[C@@H](C(=O)[O-])CS4)cc3[N+](=O)[O-])sc2c1	ZINC000408994624	570095143	/nfs/dbraw/zinc/09/51/43/570095143.db2.gz	ZZWPFTCQRHHKFJ-DYVFJYSZSA-N	-1	0	463.562	4.543	40	5		JJBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)[nH]1	ZINC000409322921	570201451	/nfs/dbraw/zinc/20/14/51/570201451.db2.gz	YPIUDSLBYUPPEK-ALCCZGGFSA-N	-1	0	478.686	4.961	40	5		JJBBRM
O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)o1	ZINC000106728332	195460865	/nfs/dbraw/zinc/46/08/65/195460865.db2.gz	OVJGEJFPOMCSTB-ODLFYWEKSA-N	-1	0	450.428	4.790	40	5		JJBBRM
O=C1N(c2cccc([N+](=O)[O-])c2)C([O-])=C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]12c1ccccc1	ZINC000002195368	554088971	/nfs/dbraw/zinc/08/89/71/554088971.db2.gz	RYAHVHBGHKSZTJ-IWVFXYMLSA-N	-1	0	491.503	4.968	40	5		JJBBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)o1	ZINC000009235010	555008798	/nfs/dbraw/zinc/00/87/98/555008798.db2.gz	MFVMWYPGZRIXOW-SRZZPIQSSA-N	-1	0	492.465	4.781	40	5		JJBBRM
O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)o1	ZINC000106743661	569855457	/nfs/dbraw/zinc/85/54/57/569855457.db2.gz	JLMRJWDRYFPPIP-ODLFYWEKSA-N	-1	0	450.428	4.790	40	5		JJBBRM
COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)[O-])n[nH]2)c1	ZINC000408633778	569984669	/nfs/dbraw/zinc/98/46/69/569984669.db2.gz	PHAHOYKEPNFKOW-NDENLUEZSA-N	-1	0	494.485	4.875	40	5		JJBBRM
CN(C)c1ccc(N2C(=O)c3cccc4c(-c5ccc(C(=O)[O-])cc5)c([N+](=O)[O-])cc(c43)C2=O)cc1	ZINC000408993062	570094734	/nfs/dbraw/zinc/09/47/34/570094734.db2.gz	BSVBGNVHSRCFRU-UHFFFAOYSA-N	-1	0	481.464	4.980	40	5		JJBBRM
O=C([O-])c1cccc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccc(O)cc2)C4=O)c1	ZINC000408994100	570094993	/nfs/dbraw/zinc/09/49/93/570094993.db2.gz	FRJONWWVGJXBSC-UHFFFAOYSA-N	-1	0	454.394	4.619	40	5		JJBBRM
O=C1S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C(=O)N1CCCc1ccccc1	ZINC000409132397	570140810	/nfs/dbraw/zinc/14/08/10/570140810.db2.gz	ZPSMYPMNSUKQDI-MHWRWJLKSA-N	-1	0	463.309	4.732	40	5		JJBBRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000408562909	570201982	/nfs/dbraw/zinc/20/19/82/570201982.db2.gz	GQEARCAJSVBEKN-UHFFFAOYSA-N	-1	0	475.910	4.618	40	5		JJBBRM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(Br)c1OCc1ccccc1	ZINC000409328400	570202954	/nfs/dbraw/zinc/20/29/54/570202954.db2.gz	UJWCPSWTCRAUCB-HJWRWDBZSA-N	-1	0	488.294	4.707	40	5		JJBBRM
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nnc([N-]c2ccn(Cc3c(Cl)cccc3Cl)n2)s1	ZINC000002731037	554315298	/nfs/dbraw/zinc/31/52/98/554315298.db2.gz	URTQYBTXYZICLC-NSHDSACASA-N	-1	0	479.353	4.742	40	5		JJBBRM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1	ZINC000008810143	554689376	/nfs/dbraw/zinc/68/93/76/554689376.db2.gz	JFDYTDGCIPUVHS-UHFFFAOYSA-N	-1	0	463.874	4.749	40	5		JJBBRM
O=C(Nc1cc(Br)c([O-])c(Br)c1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000032116471	556423681	/nfs/dbraw/zinc/42/36/81/556423681.db2.gz	UERJOAQOZRMEOJ-UHFFFAOYSA-N	-1	0	450.470	4.731	40	5		JJBBRM
CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000106722513	569855120	/nfs/dbraw/zinc/85/51/20/569855120.db2.gz	ZTURCZQSGSRNKZ-SXGWCWSVSA-N	-1	0	479.308	4.698	40	5		JJBBRM
CCc1nc(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)[O-])n[nH]1	ZINC000408630941	569982573	/nfs/dbraw/zinc/98/25/73/569982573.db2.gz	DWYLLRFTFSGWLA-ZSOIEALJSA-N	-1	0	465.285	4.516	40	5		JJBBRM
COc1ccc(N2C(=O)c3cccc4c(-c5ccc(C(=O)[O-])cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1	ZINC000408994235	570095003	/nfs/dbraw/zinc/09/50/03/570095003.db2.gz	YJYHNOAKODUTGU-UHFFFAOYSA-N	-1	0	468.421	4.922	40	5		JJBBRM
CCOc1ccc2nc(Sc3ccc([C@H]4N[C@H](C(=O)[O-])CS4)cc3[N+](=O)[O-])sc2c1	ZINC000408994625	570095150	/nfs/dbraw/zinc/09/51/50/570095150.db2.gz	ZZWPFTCQRHHKFJ-GUYCJALGSA-N	-1	0	463.562	4.543	40	5		JJBBRM
O=C1S/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	ZINC000409193554	570162740	/nfs/dbraw/zinc/16/27/40/570162740.db2.gz	GMENOGNCBDARJO-NTUHNPAUSA-N	-1	0	455.673	4.957	40	5		JJBBRM
O=C1N(c2cccc([N+](=O)[O-])c2)C([O-])=C2ON(c3ccccc3)[C@H](c3ccccc3)[C@]12c1ccccc1	ZINC000009427834	555193172	/nfs/dbraw/zinc/19/31/72/555193172.db2.gz	RYAHVHBGHKSZTJ-GEBXHLAXSA-N	-1	0	491.503	4.968	40	5		JJBBRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2Cl)c1	ZINC000014155637	555714020	/nfs/dbraw/zinc/71/40/20/555714020.db2.gz	FSQOSZRJTBIRJF-UHFFFAOYSA-N	-1	0	459.911	4.918	40	5		JJBBRM
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000014270367	555762524	/nfs/dbraw/zinc/76/25/24/555762524.db2.gz	UUOJZQNPPFHMGW-UHFFFAOYSA-N	-1	0	452.275	4.994	40	5		JJBBRM
CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc2[nH]c3c4ccccc4c(=O)c(=O)c=3sc2c1	ZINC000025694036	556230560	/nfs/dbraw/zinc/23/05/60/556230560.db2.gz	RMCXJEISTYKBCM-UHFFFAOYSA-N	-1	0	492.578	4.893	40	5		JJBBRM
COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000026780002	556262080	/nfs/dbraw/zinc/26/20/80/556262080.db2.gz	OBUUISHQKPBILX-UHFFFAOYSA-N	-1	0	476.898	4.702	40	5		JJBBRM
Cc1c(C)c(NC(=O)c2cccc([N+](=O)[O-])c2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1[O-]	ZINC000026787026	556263274	/nfs/dbraw/zinc/26/32/74/556263274.db2.gz	FSYLFOAWQJWQMW-UHFFFAOYSA-N	-1	0	460.895	4.656	40	5		JJBBRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)C(=O)[O-])o1	ZINC000408633359	569984453	/nfs/dbraw/zinc/98/44/53/569984453.db2.gz	MRZYRPLVUUFXJH-PXNMLYILSA-N	-1	0	463.855	4.533	40	5		JJBBRM
CCOc1ccc2nc(Sc3ccc([C@@H]4N[C@H](C(=O)[O-])CS4)cc3[N+](=O)[O-])sc2c1	ZINC000408994627	570095086	/nfs/dbraw/zinc/09/50/86/570095086.db2.gz	ZZWPFTCQRHHKFJ-SUMWQHHRSA-N	-1	0	463.562	4.543	40	5		JJBBRM
O=C([O-])c1ccc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccc(O)cc2)C4=O)cc1	ZINC000408997999	570095725	/nfs/dbraw/zinc/09/57/25/570095725.db2.gz	PRYIIOOJORSKCF-UHFFFAOYSA-N	-1	0	454.394	4.619	40	5		JJBBRM
CC(=O)Nc1ccc(N2C(=O)c3cccc4c(-c5cccc(C(=O)[O-])c5)c([N+](=O)[O-])cc(c34)C2=O)cc1	ZINC000409002031	570096628	/nfs/dbraw/zinc/09/66/28/570096628.db2.gz	SBSKDGLVZBPQGR-UHFFFAOYSA-N	-1	0	495.447	4.872	40	5		JJBBRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2Cl)c1	ZINC000408547282	570193703	/nfs/dbraw/zinc/19/37/03/570193703.db2.gz	YHZGNJASUBDGLJ-UHFFFAOYSA-N	-1	0	459.911	4.918	40	5		JJBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]1	ZINC000409325004	570201940	/nfs/dbraw/zinc/20/19/40/570201940.db2.gz	WNWWSXBLDJNQCP-ALCCZGGFSA-N	-1	0	464.312	4.686	40	5		JJBBRM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc3c4c(oc3c(Br)c2)CCCC4)c1	ZINC000006088984	527394343	/nfs/dbraw/zinc/39/43/43/527394343.db2.gz	SILHENOUKQMPIM-UHFFFAOYSA-N	-1	0	451.298	4.783	40	5		JJBBRM
Cc1ccc(S(=O)(=O)Nc2ccc3oc(-c4ccccc4)c(C(=O)[O-])c3c2)cc1[N+](=O)[O-]	ZINC000011615805	555791924	/nfs/dbraw/zinc/79/19/24/555791924.db2.gz	BZELKXNCEXQTJA-UHFFFAOYSA-N	-1	0	452.444	4.815	40	5		JJBBRM
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)C)c(S(=O)(=O)c2ccccc2)c1[O-]	ZINC000026786957	556263330	/nfs/dbraw/zinc/26/33/30/556263330.db2.gz	LLYAMOSARGGGSP-UHFFFAOYSA-N	-1	0	454.504	4.817	40	5		JJBBRM
O=C(Nc1cc(Br)c([O-])c(Br)c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000032116695	556424882	/nfs/dbraw/zinc/42/48/82/556424882.db2.gz	UHOUYAJWLPZDMH-UHFFFAOYSA-N	-1	0	450.470	4.731	40	5		JJBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000037089072	569781404	/nfs/dbraw/zinc/78/14/04/569781404.db2.gz	YUAHLMCGKFOWKM-UHFFFAOYSA-N	-1	0	452.275	4.994	40	5		JJBBRM
COc1c([N+](=O)[O-])cc([N-]C(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc1[N+](=O)[O-]	ZINC000103933738	569839419	/nfs/dbraw/zinc/83/94/19/569839419.db2.gz	YEIKKRWIXCXHKJ-UHFFFAOYSA-N	-1	0	452.788	4.540	40	5		JJBBRM
CCc1nnc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)[O-])o1	ZINC000408630755	569982495	/nfs/dbraw/zinc/98/24/95/569982495.db2.gz	CLUYQIWTCOHUKM-ZSOIEALJSA-N	-1	0	466.269	4.781	40	5		JJBBRM
Cc1nnc(S/C(=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)[O-])o1	ZINC000408632105	569983451	/nfs/dbraw/zinc/98/34/51/569983451.db2.gz	WHEKHFYEXSFIJA-JAIQZWGSSA-N	-1	0	450.476	4.815	40	5		JJBBRM
COc1cc(C(=O)[O-])cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000408635526	569985759	/nfs/dbraw/zinc/98/57/59/569985759.db2.gz	DAACEBQTUWFABS-UHFFFAOYSA-N	-1	0	483.136	4.717	40	5		JJBBRM
O=C([O-])CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O	ZINC000409139403	570143859	/nfs/dbraw/zinc/14/38/59/570143859.db2.gz	APNUDVKICDRTSK-VIZOYTHASA-N	-1	0	468.365	4.527	40	5		JJBBRM
O=C1S/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000409228836	570176880	/nfs/dbraw/zinc/17/68/80/570176880.db2.gz	FWJNFMBGAZMEIX-VGOFMYFVSA-N	-1	0	469.700	4.953	40	5		JJBBRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2Cl)c1	ZINC000408546785	570193524	/nfs/dbraw/zinc/19/35/24/570193524.db2.gz	GKUPYEDLSYGSGY-UHFFFAOYSA-N	-1	0	459.911	4.918	40	5		JJBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)[nH]1	ZINC000409324360	570201822	/nfs/dbraw/zinc/20/18/22/570201822.db2.gz	SFZHGOOUJZFZFR-XQRVVYSFSA-N	-1	0	464.312	4.686	40	5		JJBBRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(Cl)cc1Cl	ZINC000020153056	555671604	/nfs/dbraw/zinc/67/16/04/555671604.db2.gz	YWXGIBHNILMLMG-UHFFFAOYSA-N	-1	0	497.360	4.717	40	5		JJBBRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)[O-])o2)c1	ZINC000408634293	569985055	/nfs/dbraw/zinc/98/50/55/569985055.db2.gz	TYJVWWWURYRZCT-NDENLUEZSA-N	-1	0	494.485	4.671	40	5		JJBBRM
O=C1S/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)N1CCCc1ccccc1	ZINC000409127869	570138856	/nfs/dbraw/zinc/13/88/56/570138856.db2.gz	RUQDHMBYSRSGBN-LFIBNONCSA-N	-1	0	463.309	4.732	40	5		JJBBRM
O=c1[n-]c(SCc2ccccc2Cl)n[n+]2c1-c1ccccc1N[C@@H]2c1ccc([O-])c([N+](=O)[O-])c1	ZINC000261365863	570169223	/nfs/dbraw/zinc/16/92/23/570169223.db2.gz	VXEGGYIXVZTDJZ-NRFANRHFSA-O	-1	0	494.940	4.669	40	5		JJBBRM