smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1-n1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1[O-]	ZINC000002072192	554022754	/nfs/dbraw/zinc/02/27/54/554022754.db2.gz	BAUIMHKZCQZDRW-UHFFFAOYSA-N	-1	3	477.502	4.288	40	5		JIBBHM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1	ZINC000033572570	569628178	/nfs/dbraw/zinc/62/81/78/569628178.db2.gz	QAHKLWFSEVPVRP-UHFFFAOYSA-N	-1	3	455.492	4.030	40	5		JIBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000102766341	569823124	/nfs/dbraw/zinc/82/31/24/569823124.db2.gz	MIZCSTOGSNAMQH-HKBOAZHASA-N	-1	3	467.840	4.438	40	5		JIBBHM
COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2cccc([N+](=O)[O-])c2)c1	ZINC000104149909	569842031	/nfs/dbraw/zinc/84/20/31/569842031.db2.gz	GBYKXNJAMLIMQC-BDTNDASRSA-N	-1	3	479.876	4.308	40	5		JIBBHM
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000408590997	570209118	/nfs/dbraw/zinc/20/91/18/570209118.db2.gz	HRHLFTBOAJVYDJ-IBGZPJMESA-N	-1	3	494.356	4.430	40	5		JIBBHM
O=C(CSc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2)s1)Nc1ccccc1C(F)(F)F	ZINC000008791109	554684278	/nfs/dbraw/zinc/68/42/78/554684278.db2.gz	YXCSDLROZSTHKV-UHFFFAOYSA-N	-1	3	483.453	4.448	40	5		JIBBHM
Cc1ccc(C(=O)[N-]c2nnc(CCS(=O)(=O)c3ccc4ccccc4c3)s2)cc1[N+](=O)[O-]	ZINC000008892292	554780654	/nfs/dbraw/zinc/78/06/54/554780654.db2.gz	RLBYMUQKIPFYOY-UHFFFAOYSA-N	-1	3	482.543	4.177	40	5		JIBBHM
COc1c(C)cc(Br)cc1C(=O)NC(=S)[N-]c1c(C)c(C)ccc1[N+](=O)[O-]	ZINC000014269677	555759778	/nfs/dbraw/zinc/75/97/78/555759778.db2.gz	KZMQETXNMHAGSB-UHFFFAOYSA-N	-1	3	452.330	4.418	40	5		JIBBHM
CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000017950086	556272632	/nfs/dbraw/zinc/27/26/32/556272632.db2.gz	INKGUAIAJDNUEY-VJBWXMMDSA-N	-1	3	461.449	4.347	40	5		JIBBHM
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000018177513	556298389	/nfs/dbraw/zinc/29/83/89/556298389.db2.gz	JOMCFRDCHSYCOG-FSSWDIPSSA-N	-1	3	495.875	4.014	40	5		JIBBHM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)c1	ZINC000033777857	569634358	/nfs/dbraw/zinc/63/43/58/569634358.db2.gz	VPIXXQQBOJHAIO-UHFFFAOYSA-N	-1	3	469.519	4.338	40	5		JIBBHM
COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000101094959	569782339	/nfs/dbraw/zinc/78/23/39/569782339.db2.gz	TVXUPODSUZCLEI-FKBYEOEOSA-N	-1	3	479.876	4.308	40	5		JIBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000102732481	569818268	/nfs/dbraw/zinc/81/82/68/569818268.db2.gz	HVWIMHKWGKNUJZ-HKBOAZHASA-N	-1	3	494.301	4.408	40	5		JIBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000102732475	569818326	/nfs/dbraw/zinc/81/83/26/569818326.db2.gz	HVWIMHKWGKNUJZ-ACRUOGEOSA-N	-1	3	494.301	4.408	40	5		JIBBHM
O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000408543762	570192288	/nfs/dbraw/zinc/19/22/88/570192288.db2.gz	QBHLBDGZBNRANT-UHFFFAOYSA-N	-1	3	484.719	4.232	40	5		JIBBHM
O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000408543762	570192289	/nfs/dbraw/zinc/19/22/89/570192289.db2.gz	QBHLBDGZBNRANT-UHFFFAOYSA-N	-1	3	484.719	4.232	40	5		JIBBHM
CC(=O)[C@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12	ZINC000008974856	554846330	/nfs/dbraw/zinc/84/63/30/554846330.db2.gz	WVFGNIMBQFZYTP-MEWSVHOLSA-N	-1	3	479.492	4.157	40	5		JIBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1	ZINC000013645922	555550431	/nfs/dbraw/zinc/55/04/31/555550431.db2.gz	KCPCMULNQZKOGI-HJOGWXRNSA-N	-1	3	473.485	4.435	40	5		JIBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000013660012	555555806	/nfs/dbraw/zinc/55/58/06/555555806.db2.gz	ABHSKXFQMILWRZ-HJOGWXRNSA-N	-1	3	473.485	4.435	40	5		JIBBHM
Cc1ccc([N+](=O)[O-])c([N-]C(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1C	ZINC000014269575	555759460	/nfs/dbraw/zinc/75/94/60/555759460.db2.gz	MSYCXDSCYSUNJM-UHFFFAOYSA-N	-1	3	457.512	4.237	40	5		JIBBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000014831616	555840467	/nfs/dbraw/zinc/84/04/67/555840467.db2.gz	YIHDCUTVNMPGQF-FZSIALSZSA-N	-1	3	467.503	4.446	40	5		JIBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccc(Cl)cc1)[C@H]2c1cccs1	ZINC000012017515	555885335	/nfs/dbraw/zinc/88/53/35/555885335.db2.gz	YTBKTEVAVYLOSN-FHWLQOOXSA-N	-1	3	455.879	4.361	40	5		JIBBHM
COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2cccc([N+](=O)[O-])c2)c1	ZINC000096024011	569732019	/nfs/dbraw/zinc/73/20/19/569732019.db2.gz	GBYKXNJAMLIMQC-FSSWDIPSSA-N	-1	3	479.876	4.308	40	5		JIBBHM
COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4cccc([N+](=O)[O-])c4)C(=O)[C@]32C)cc1	ZINC000102700022	569816230	/nfs/dbraw/zinc/81/62/30/569816230.db2.gz	IFZCGEDPQUXAFJ-SLSDLSHTSA-N	-1	3	459.458	4.045	40	5		JIBBHM
Cc1c(Cl)cccc1-n1c(O)c2n(-c3ccccc3)[n-]c(-c3ccc([N+](=O)[O-])cc3)c-2c1=O	ZINC000103769169	569837978	/nfs/dbraw/zinc/83/79/78/569837978.db2.gz	DAPJEZMBURUODK-RBBKRZOGSA-N	-1	3	460.877	4.339	40	5		JIBBHM
Cc1c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-]	ZINC000109031879	569860365	/nfs/dbraw/zinc/86/03/65/569860365.db2.gz	QPHMVSZOZGQGSU-UHFFFAOYSA-N	-1	3	475.910	4.375	40	5		JIBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1	ZINC000009210344	554979745	/nfs/dbraw/zinc/97/97/45/554979745.db2.gz	WBNRSNDIXOEGFN-HBMCJLEFSA-N	-1	3	494.301	4.408	40	5		JIBBHM
COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000009235648	555009580	/nfs/dbraw/zinc/00/95/80/555009580.db2.gz	WFWHOMVDKSSNJY-BDTNDASRSA-N	-1	3	479.876	4.308	40	5		JIBBHM
COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000013787923	555619784	/nfs/dbraw/zinc/61/97/84/555619784.db2.gz	WFWHOMVDKSSNJY-FKBYEOEOSA-N	-1	3	479.876	4.308	40	5		JIBBHM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000014831606	555840624	/nfs/dbraw/zinc/84/06/24/555840624.db2.gz	QGRQNMLMSBQNJN-SYZQJQIISA-N	-1	3	453.476	4.056	40	5		JIBBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)c(C)c2)cc1	ZINC000408675072	570010025	/nfs/dbraw/zinc/01/00/25/570010025.db2.gz	QLBOJXWMBMQQNR-UHFFFAOYSA-N	-1	3	499.545	4.429	40	5		JIBBHM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)c1	ZINC000408551309	570195107	/nfs/dbraw/zinc/19/51/07/570195107.db2.gz	HGXCMODIVCQYLO-UHFFFAOYSA-N	-1	3	469.519	4.338	40	5		JIBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1C	ZINC000408551910	570195385	/nfs/dbraw/zinc/19/53/85/570195385.db2.gz	JNPZDUDXIZYMLO-UHFFFAOYSA-N	-1	3	469.519	4.338	40	5		JIBBHM
COc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-]	ZINC000016227697	523681361	/nfs/dbraw/zinc/68/13/61/523681361.db2.gz	KDIUSEHMXFBDDL-UHFFFAOYSA-N	-1	3	464.459	4.244	40	5		JIBBHM
O=C([N-]c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000008902456	554796297	/nfs/dbraw/zinc/79/62/97/554796297.db2.gz	ANWRJJJLPXEEFC-UHFFFAOYSA-N	-1	3	462.871	4.460	40	5		JIBBHM
Cc1ccc(C)c([N-]c2c(C(=O)N3CC(=O)Nc4ccccc43)cc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000004256178	194386187	/nfs/dbraw/zinc/38/61/87/194386187.db2.gz	LKSIUXHDJAWWOH-UHFFFAOYSA-N	-1	3	461.434	4.462	40	5		JIBBHM
O=C1[C@@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccc(Cl)cc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000008741644	554644002	/nfs/dbraw/zinc/64/40/02/554644002.db2.gz	NHZSTDKVUILCCA-HBMCJLEFSA-N	-1	3	494.847	4.208	40	5		JIBBHM
Cc1ccc(C([O-])=C2[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1	ZINC000008915309	554808853	/nfs/dbraw/zinc/80/88/53/554808853.db2.gz	QROPNDQWOQPCBZ-WOIUINJBSA-N	-1	3	489.406	4.267	40	5		JIBBHM
CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1	ZINC000011582419	555788199	/nfs/dbraw/zinc/78/81/99/555788199.db2.gz	PXQIWNKHRHOWMU-VABKMULXSA-N	-1	3	459.458	4.045	40	5		JIBBHM
CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1	ZINC000100615817	569765581	/nfs/dbraw/zinc/76/55/81/569765581.db2.gz	PXQIWNKHRHOWMU-ZRBLBEILSA-N	-1	3	459.458	4.045	40	5		JIBBHM
CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000101177458	569786252	/nfs/dbraw/zinc/78/62/52/569786252.db2.gz	ZNSABAHOLSKQRR-ZLNRFVROSA-N	-1	3	459.458	4.045	40	5		JIBBHM
COc1cccc(C([O-])=C(CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)c1	ZINC000408682130	570012791	/nfs/dbraw/zinc/01/27/91/570012791.db2.gz	IYMDGRYKBVAGLS-HSZRJFAPSA-N	-1	3	467.499	4.210	40	5		JIBBHM
CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1ccc([O-])c(OCC)c1[N+](=O)[O-]	ZINC000261363239	570167840	/nfs/dbraw/zinc/16/78/40/570167840.db2.gz	QFEFZYVPUASSNR-FQEVSTJZSA-O	-1	3	470.531	4.014	40	5		JIBBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000014831568	555840494	/nfs/dbraw/zinc/84/04/94/555840494.db2.gz	PVDAWWVXIGNURP-GIDUJCDVSA-N	-1	3	467.503	4.446	40	5		JIBBHM
CSc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)N1CCCCC1	ZINC000026116890	556246613	/nfs/dbraw/zinc/24/66/13/556246613.db2.gz	LRLMSJJNIFWTCQ-UHFFFAOYSA-N	-1	3	469.972	4.397	40	5		JIBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1Cl	ZINC000096791732	569743077	/nfs/dbraw/zinc/74/30/77/569743077.db2.gz	XUFBQHDQWQSUOO-HBMCJLEFSA-N	-1	3	467.840	4.438	40	5		JIBBHM
COc1ccc(C(=O)CC(=C([O-])c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000408687822	570014375	/nfs/dbraw/zinc/01/43/75/570014375.db2.gz	VEWSKTLNNCYWAV-HSZRJFAPSA-N	-1	3	467.499	4.210	40	5		JIBBHM
CCOC(=O)c1ccc([N-]c2ncc([N+](=O)[O-])c(Nc3ccc(C(=O)OCC)cc3)n2)cc1	ZINC000016687879	521523173	/nfs/dbraw/zinc/52/31/73/521523173.db2.gz	WQUIVASXZVVBME-UHFFFAOYSA-N	-1	3	451.439	4.225	40	5		JIBBHM
O=C(Nc1c(Br)cc(Br)cc1[N+](=O)[O-])C(=S)[N-]CCc1ccccc1	ZINC000020522220	527089883	/nfs/dbraw/zinc/08/98/83/527089883.db2.gz	QCYMIUSRYBEJPQ-UHFFFAOYSA-N	-1	3	487.173	4.218	40	5		JIBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009412001	555178926	/nfs/dbraw/zinc/17/89/26/555178926.db2.gz	KCPCMULNQZKOGI-VXNXHJTFSA-N	-1	3	473.485	4.435	40	5		JIBBHM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000013997907	555668314	/nfs/dbraw/zinc/66/83/14/555668314.db2.gz	YAJOYBGMNQZDST-UHFFFAOYSA-N	-1	3	470.463	4.173	40	5		JIBBHM
COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000018211360	556311265	/nfs/dbraw/zinc/31/12/65/556311265.db2.gz	WFWHOMVDKSSNJY-FSSWDIPSSA-N	-1	3	479.876	4.308	40	5		JIBBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1	ZINC000033771922	569634189	/nfs/dbraw/zinc/63/41/89/569634189.db2.gz	ANFHCDCDKXLNEI-UHFFFAOYSA-N	-1	3	485.518	4.120	40	5		JIBBHM
COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000018213113	556311545	/nfs/dbraw/zinc/31/15/45/556311545.db2.gz	TVXUPODSUZCLEI-FSSWDIPSSA-N	-1	3	479.876	4.308	40	5		JIBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccc(Cl)cc1)[C@H]2c1cccs1	ZINC000100634063	569765973	/nfs/dbraw/zinc/76/59/73/569765973.db2.gz	YTBKTEVAVYLOSN-QYZOEREBSA-N	-1	3	455.879	4.361	40	5		JIBBHM
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000101166464	569785662	/nfs/dbraw/zinc/78/56/62/569785662.db2.gz	JOMCFRDCHSYCOG-FKBYEOEOSA-N	-1	3	495.875	4.014	40	5		JIBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000102768248	569823456	/nfs/dbraw/zinc/82/34/56/569823456.db2.gz	YPBYBVVATNWJDL-HBMCJLEFSA-N	-1	3	467.840	4.438	40	5		JIBBHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)c(C)c2)cc1	ZINC000408674602	570009224	/nfs/dbraw/zinc/00/92/24/570009224.db2.gz	CDEZCHGHMDPCRM-UHFFFAOYSA-N	-1	3	485.518	4.039	40	5		JIBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)c(C)c2)cc1	ZINC000408562531	570201856	/nfs/dbraw/zinc/20/18/56/570201856.db2.gz	QSCMRXQIVNPMOZ-UHFFFAOYSA-N	-1	3	469.519	4.338	40	5		JIBBHM
COc1ccc(-n2c(=O)c3ccc4c5ccc6c(=O)[n-]c(=O)c7ccc(c8ccc(c2=O)c3c48)c5c67)cc1	ZINC000005387000	523308288	/nfs/dbraw/zinc/30/82/88/523308288.db2.gz	OURAFCLGFLACQM-UHFFFAOYSA-N	-1	3	496.478	4.487	40	5		JIBBHM
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1[O-]	ZINC000214980102	569877072	/nfs/dbraw/zinc/87/70/72/569877072.db2.gz	RWKPNNXMZUEPSU-OVCLIPMQSA-N	-1	3	465.281	4.308	40	5		JIBBHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C	ZINC000408678646	570011373	/nfs/dbraw/zinc/01/13/73/570011373.db2.gz	UHLKBEKYZRIFAG-UHFFFAOYSA-N	-1	3	455.492	4.030	40	5		JIBBHM
CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1ccc([O-])c(OC)c1[N+](=O)[O-]	ZINC000261363691	570168213	/nfs/dbraw/zinc/16/82/13/570168213.db2.gz	VVQQBQXNGVNDGX-HXUWFJFHSA-O	-1	3	470.531	4.014	40	5		JIBBHM
CSc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)N1CCCC1	ZINC000026115559	556246071	/nfs/dbraw/zinc/24/60/71/556246071.db2.gz	RYDKSHJMRSECCH-UHFFFAOYSA-N	-1	3	455.945	4.007	40	5		JIBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1	ZINC000101075914	569781612	/nfs/dbraw/zinc/78/16/12/569781612.db2.gz	WBNRSNDIXOEGFN-HKBOAZHASA-N	-1	3	494.301	4.408	40	5		JIBBHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(C)c2)cc1	ZINC000408674547	570009241	/nfs/dbraw/zinc/00/92/41/570009241.db2.gz	AEVLLHMKENEFDD-UHFFFAOYSA-N	-1	3	485.518	4.039	40	5		JIBBHM
CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1ccc([O-])c(OC)c1[N+](=O)[O-]	ZINC000261363690	570168219	/nfs/dbraw/zinc/16/82/19/570168219.db2.gz	VVQQBQXNGVNDGX-FQEVSTJZSA-O	-1	3	470.531	4.014	40	5		JIBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1	ZINC000016293510	525305142	/nfs/dbraw/zinc/30/51/42/525305142.db2.gz	HEBCBIRJXDZGMA-UHFFFAOYSA-N	-1	3	455.492	4.030	40	5		JIBBHM
COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4cccc([N+](=O)[O-])c4)C(=O)[C@]32C)cc1	ZINC000009334840	555102239	/nfs/dbraw/zinc/10/22/39/555102239.db2.gz	IFZCGEDPQUXAFJ-RQTOMXEWSA-N	-1	3	459.458	4.045	40	5		JIBBHM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000033713635	569631473	/nfs/dbraw/zinc/63/14/73/569631473.db2.gz	FKLVWAUJEWPLQA-UHFFFAOYSA-N	-1	3	455.492	4.030	40	5		JIBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1C	ZINC000033718968	569631715	/nfs/dbraw/zinc/63/17/15/569631715.db2.gz	RYKPHOUXBYWSCR-UHFFFAOYSA-N	-1	3	455.492	4.030	40	5		JIBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000101188273	569786470	/nfs/dbraw/zinc/78/64/70/569786470.db2.gz	XXIMKWSBZNDJIM-SGNDLWITSA-N	-1	3	473.485	4.435	40	5		JIBBHM
CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102749453	569820716	/nfs/dbraw/zinc/82/07/16/569820716.db2.gz	INKGUAIAJDNUEY-XPWALMASSA-N	-1	3	461.449	4.347	40	5		JIBBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1	ZINC000107939360	569858029	/nfs/dbraw/zinc/85/80/29/569858029.db2.gz	KFTVXLGCQDKINJ-UHFFFAOYSA-N	-1	3	485.518	4.120	40	5		JIBBHM
O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)Nc1cccc([N+](=O)[O-])c1	ZINC000408552267	570195518	/nfs/dbraw/zinc/19/55/18/570195518.db2.gz	KWWFPEQBDBHZKH-UHFFFAOYSA-N	-1	3	495.435	4.432	40	5		JIBBHM
Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)c1	ZINC000408552760	570195676	/nfs/dbraw/zinc/19/56/76/570195676.db2.gz	NOGXSFHNGSHXKZ-UHFFFAOYSA-N	-1	3	455.492	4.030	40	5		JIBBHM
O=C([N-]c1nnc(CCS(=O)(=O)c2cc(Cl)ccc2Cl)s1)c1ccc([N+](=O)[O-])cc1	ZINC000013371522	555392282	/nfs/dbraw/zinc/39/22/82/555392282.db2.gz	QQUDKQDIMDAVDE-UHFFFAOYSA-N	-1	3	487.346	4.022	40	5		JIBBHM
COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000011582385	555788147	/nfs/dbraw/zinc/78/81/47/555788147.db2.gz	OAHWDTQRGQNEJU-FKBYEOEOSA-N	-1	3	479.876	4.308	40	5		JIBBHM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000014831558	555840359	/nfs/dbraw/zinc/84/03/59/555840359.db2.gz	SIMPVAWEJOIYRI-LHHJGKSTSA-N	-1	3	453.476	4.056	40	5		JIBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccccc2)cc1	ZINC000018141519	556293390	/nfs/dbraw/zinc/29/33/90/556293390.db2.gz	NMSXMQASPHSVCT-SMIHKQSGSA-N	-1	3	473.485	4.435	40	5		JIBBHM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000034869868	569668328	/nfs/dbraw/zinc/66/83/28/569668328.db2.gz	MFRMRYXOWLUYDF-UHFFFAOYSA-N	-1	3	455.492	4.030	40	5		JIBBHM
O=C1[C@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccc(Cl)cc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000095909129	569729456	/nfs/dbraw/zinc/72/94/56/569729456.db2.gz	NHZSTDKVUILCCA-HKBOAZHASA-N	-1	3	494.847	4.208	40	5		JIBBHM
COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000101217299	569787332	/nfs/dbraw/zinc/78/73/32/569787332.db2.gz	YBVDIFBWHOGWLW-VSKRKVRLSA-N	-1	3	479.876	4.308	40	5		JIBBHM
COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2c(F)cccc2Cl)c1	ZINC000101249540	569788026	/nfs/dbraw/zinc/78/80/26/569788026.db2.gz	XFTLROUOYLTKNN-VSKRKVRLSA-N	-1	3	497.866	4.447	40	5		JIBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1C	ZINC000107570744	569856567	/nfs/dbraw/zinc/85/65/67/569856567.db2.gz	NRCIUMNYXKUBCU-UHFFFAOYSA-N	-1	3	469.519	4.338	40	5		JIBBHM
COc1cccc(C([O-])=C(CC(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)c1	ZINC000408682949	570013120	/nfs/dbraw/zinc/01/31/20/570013120.db2.gz	KJOGJEBPPOYUHQ-HSZRJFAPSA-N	-1	3	467.499	4.210	40	5		JIBBHM
Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc(Br)ccc1[O-]	ZINC000408544104	570192457	/nfs/dbraw/zinc/19/24/57/570192457.db2.gz	RZYIXFRXGLTUGW-UHFFFAOYSA-N	-1	3	498.746	4.243	40	5		JIBBHM
CSc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000101206397	569787043	/nfs/dbraw/zinc/78/70/43/569787043.db2.gz	LJXSTPREHRDJNC-FSSWDIPSSA-N	-1	3	461.499	4.368	40	5		JIBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1Cl	ZINC000001316106	194083851	/nfs/dbraw/zinc/08/38/51/194083851.db2.gz	XUFBQHDQWQSUOO-NJYVYQBISA-N	-1	3	467.840	4.438	40	5		JIBBHM
COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2cccc([N+](=O)[O-])c2)c1	ZINC000033687854	569630839	/nfs/dbraw/zinc/63/08/39/569630839.db2.gz	GBYKXNJAMLIMQC-VSKRKVRLSA-N	-1	3	479.876	4.308	40	5		JIBBHM
CC(=O)[C@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12	ZINC000008974854	554846309	/nfs/dbraw/zinc/84/63/09/554846309.db2.gz	WVFGNIMBQFZYTP-YKKMPQLRSA-N	-1	3	479.492	4.157	40	5		JIBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1Cl	ZINC000013758365	555611553	/nfs/dbraw/zinc/61/15/53/555611553.db2.gz	XUFBQHDQWQSUOO-ACRUOGEOSA-N	-1	3	467.840	4.438	40	5		JIBBHM
O=C(Nc1c(Br)cc([N+](=O)[O-])cc1Br)C(=S)[N-]CCc1ccccc1	ZINC000012376319	555963737	/nfs/dbraw/zinc/96/37/37/555963737.db2.gz	NRPXNMYMFIPFPJ-UHFFFAOYSA-N	-1	3	487.173	4.218	40	5		JIBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccccc2)cc1	ZINC000101165433	569785398	/nfs/dbraw/zinc/78/53/98/569785398.db2.gz	NMSXMQASPHSVCT-VXNXHJTFSA-N	-1	3	473.485	4.435	40	5		JIBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000101188279	569786444	/nfs/dbraw/zinc/78/64/44/569786444.db2.gz	XXIMKWSBZNDJIM-VXNXHJTFSA-N	-1	3	473.485	4.435	40	5		JIBBHM
Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000408679259	570011611	/nfs/dbraw/zinc/01/16/11/570011611.db2.gz	VQUYIRRBPJLEGF-UHFFFAOYSA-N	-1	3	473.482	4.169	40	5		JIBBHM
COc1ccc(C([O-])=C(CC(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000408688697	570014672	/nfs/dbraw/zinc/01/46/72/570014672.db2.gz	WVWWSVVXTVWQRN-QHCPKHFHSA-N	-1	3	467.499	4.210	40	5		JIBBHM
CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000013787379	555619749	/nfs/dbraw/zinc/61/97/49/555619749.db2.gz	ZNSABAHOLSKQRR-VABKMULXSA-N	-1	3	459.458	4.045	40	5		JIBBHM
Cc1ccc(C([O-])=C2[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1	ZINC000012946446	556157771	/nfs/dbraw/zinc/15/77/71/556157771.db2.gz	QROPNDQWOQPCBZ-KNKQGSTJSA-N	-1	3	489.406	4.267	40	5		JIBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1	ZINC000100920820	569775884	/nfs/dbraw/zinc/77/58/84/569775884.db2.gz	KCPCMULNQZKOGI-SMIHKQSGSA-N	-1	3	473.485	4.435	40	5		JIBBHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1	ZINC000408636528	569986786	/nfs/dbraw/zinc/98/67/86/569986786.db2.gz	RRHUTNZYGTZBJV-UHFFFAOYSA-N	-1	3	491.909	4.075	40	5		JIBBHM
COc1ccc(C([O-])=C(CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000408682537	570013013	/nfs/dbraw/zinc/01/30/13/570013013.db2.gz	JOEVHVOETFDUJI-QHCPKHFHSA-N	-1	3	467.499	4.210	40	5		JIBBHM
O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000408544285	570192366	/nfs/dbraw/zinc/19/23/66/570192366.db2.gz	VBBCMHGIQUSPNV-UHFFFAOYSA-N	-1	3	484.719	4.232	40	5		JIBBHM
O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000408544285	570192368	/nfs/dbraw/zinc/19/23/68/570192368.db2.gz	VBBCMHGIQUSPNV-UHFFFAOYSA-N	-1	3	484.719	4.232	40	5		JIBBHM
COc1cc([N-]C(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc([N+](=O)[O-])c1	ZINC000003139478	194231157	/nfs/dbraw/zinc/23/11/57/194231157.db2.gz	RCZKQEFFOWCVDX-UHFFFAOYSA-N	-1	3	464.385	4.041	40	5		JIBBHM
COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2c(F)cccc2Cl)c1	ZINC000009345850	555112145	/nfs/dbraw/zinc/11/21/45/555112145.db2.gz	XFTLROUOYLTKNN-BDTNDASRSA-N	-1	3	497.866	4.447	40	5		JIBBHM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1	ZINC000015439141	555909148	/nfs/dbraw/zinc/90/91/48/555909148.db2.gz	MOXOZDMFALMDGV-UHFFFAOYSA-N	-1	3	461.883	4.310	40	5		JIBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1Br)ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000102710923	569817024	/nfs/dbraw/zinc/81/70/24/569817024.db2.gz	VUCDUKWQOFVHBX-HBMCJLEFSA-N	-1	3	494.301	4.408	40	5		JIBBHM
CSc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102761751	569822363	/nfs/dbraw/zinc/82/23/63/569822363.db2.gz	LJXSTPREHRDJNC-BHIFYINESA-N	-1	3	461.499	4.368	40	5		JIBBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(C)c2)cc1	ZINC000408674983	570009866	/nfs/dbraw/zinc/00/98/66/570009866.db2.gz	OEGBJTSNAVMORS-UHFFFAOYSA-N	-1	3	499.545	4.429	40	5		JIBBHM
COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1[O-]	ZINC000408916331	570075447	/nfs/dbraw/zinc/07/54/47/570075447.db2.gz	CASAHTURTDYENE-OVCLIPMQSA-N	-1	3	465.281	4.308	40	5		JIBBHM
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000408920796	570077070	/nfs/dbraw/zinc/07/70/70/570077070.db2.gz	NFNJSNTUTGYLBS-UHFFFAOYSA-N	-1	3	475.523	4.407	40	5		JIBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1C	ZINC000013980893	555666507	/nfs/dbraw/zinc/66/65/07/555666507.db2.gz	XRKBTJSWPXURQW-UHFFFAOYSA-N	-1	3	470.463	4.173	40	5		JIBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccc(Cl)cc1)[C@@H]2c1cccs1	ZINC000100634062	569765921	/nfs/dbraw/zinc/76/59/21/569765921.db2.gz	YTBKTEVAVYLOSN-QRVBRYPASA-N	-1	3	455.879	4.361	40	5		JIBBHM
COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000101217290	569787387	/nfs/dbraw/zinc/78/73/87/569787387.db2.gz	YBVDIFBWHOGWLW-FSSWDIPSSA-N	-1	3	479.876	4.308	40	5		JIBBHM
CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000009356704	555121923	/nfs/dbraw/zinc/12/19/23/555121923.db2.gz	WGZWDBGGJLQTEJ-ZLNRFVROSA-N	-1	3	459.458	4.045	40	5		JIBBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cc1	ZINC000015438987	555909021	/nfs/dbraw/zinc/90/90/21/555909021.db2.gz	MLTBXYWOMMSKKX-UHFFFAOYSA-N	-1	3	455.492	4.355	40	5		JIBBHM
CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000018102155	556288047	/nfs/dbraw/zinc/28/80/47/556288047.db2.gz	ZNSABAHOLSKQRR-VJBWXMMDSA-N	-1	3	459.458	4.045	40	5		JIBBHM
COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000101185698	569786380	/nfs/dbraw/zinc/78/63/80/569786380.db2.gz	WFWHOMVDKSSNJY-VSKRKVRLSA-N	-1	3	479.876	4.308	40	5		JIBBHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000102768250	569823492	/nfs/dbraw/zinc/82/34/92/569823492.db2.gz	YPBYBVVATNWJDL-NJYVYQBISA-N	-1	3	467.840	4.438	40	5		JIBBHM
Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)c1	ZINC000107737664	569857230	/nfs/dbraw/zinc/85/72/30/569857230.db2.gz	FVEMMDCNVNCJOY-UHFFFAOYSA-N	-1	3	455.492	4.030	40	5		JIBBHM
Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000408677899	570011132	/nfs/dbraw/zinc/01/11/32/570011132.db2.gz	SFLSIOHSOVQYTE-UHFFFAOYSA-N	-1	3	455.492	4.030	40	5		JIBBHM
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000408590999	570209112	/nfs/dbraw/zinc/20/91/12/570209112.db2.gz	HRHLFTBOAJVYDJ-LJQANCHMSA-N	-1	3	494.356	4.430	40	5		JIBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c(C)c1	ZINC000012482626	555985787	/nfs/dbraw/zinc/98/57/87/555985787.db2.gz	MAKLMHHGEVPYQQ-UHFFFAOYSA-N	-1	3	470.463	4.173	40	5		JIBBHM
COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2cccc([N+](=O)[O-])c2)c1	ZINC000025560043	556221242	/nfs/dbraw/zinc/22/12/42/556221242.db2.gz	GBYKXNJAMLIMQC-FKBYEOEOSA-N	-1	3	479.876	4.308	40	5		JIBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1Cl	ZINC000096791731	569743015	/nfs/dbraw/zinc/74/30/15/569743015.db2.gz	XUFBQHDQWQSUOO-HKBOAZHASA-N	-1	3	467.840	4.438	40	5		JIBBHM
COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000100562477	569764802	/nfs/dbraw/zinc/76/48/02/569764802.db2.gz	OAHWDTQRGQNEJU-FSSWDIPSSA-N	-1	3	479.876	4.308	40	5		JIBBHM
Cc1c(Cl)cccc1-n1c(O)c2n(-c3ccccc3)[n-]c(-c3ccc([N+](=O)[O-])cc3)c-2c1=O	ZINC000103769173	569837926	/nfs/dbraw/zinc/83/79/26/569837926.db2.gz	DAPJEZMBURUODK-IFMALSPDSA-N	-1	3	460.877	4.339	40	5		JIBBHM
Cc1c(Cl)cccc1-n1c(O)c2n(-c3ccccc3)[n-]c(-c3ccc([N+](=O)[O-])cc3)c-2c1=O	ZINC000103769164	569837937	/nfs/dbraw/zinc/83/79/37/569837937.db2.gz	DAPJEZMBURUODK-IRLDBZIGSA-N	-1	3	460.877	4.339	40	5		JIBBHM
Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000408678558	570011354	/nfs/dbraw/zinc/01/13/54/570011354.db2.gz	SQJLTTRMNOMBGR-UHFFFAOYSA-N	-1	3	475.910	4.375	40	5		JIBBHM
COc1ccc(C([O-])=C(CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000408682536	570012883	/nfs/dbraw/zinc/01/28/83/570012883.db2.gz	JOEVHVOETFDUJI-HSZRJFAPSA-N	-1	3	467.499	4.210	40	5		JIBBHM
O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)Nc1cccc([N+](=O)[O-])c1	ZINC000408562119	570201480	/nfs/dbraw/zinc/20/14/80/570201480.db2.gz	MUSQECXYSQDGQK-UHFFFAOYSA-N	-1	3	479.873	4.206	40	5		JIBBHM
O=C(NC(=S)[N-]c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000014269574	555759473	/nfs/dbraw/zinc/75/94/73/555759473.db2.gz	FBDVATAOOSWRDW-UHFFFAOYSA-N	-1	3	463.903	4.274	40	5		JIBBHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000033688961	569630809	/nfs/dbraw/zinc/63/08/09/569630809.db2.gz	GCHQLYYKGVMITP-UHFFFAOYSA-N	-1	3	475.910	4.375	40	5		JIBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000217430914	569879987	/nfs/dbraw/zinc/87/99/87/569879987.db2.gz	BZSCIBJFJDDIMP-NJYVYQBISA-N	-1	3	494.847	4.208	40	5		JIBBHM
O=c1sc2cc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3Cl)ccc2n1Cc1ccccc1	ZINC000225748298	570019725	/nfs/dbraw/zinc/01/97/25/570019725.db2.gz	JMGXSOMPKLIZNW-UHFFFAOYSA-N	-1	3	475.935	4.474	40	5		JIBBHM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1	ZINC000030862802	556382466	/nfs/dbraw/zinc/38/24/66/556382466.db2.gz	NHTHGWRVFWWNLF-UHFFFAOYSA-N	-1	3	461.883	4.310	40	5		JIBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccccc2)cc1	ZINC000101165426	569785403	/nfs/dbraw/zinc/78/54/03/569785403.db2.gz	NMSXMQASPHSVCT-SGNDLWITSA-N	-1	3	473.485	4.435	40	5		JIBBHM
Cc1c(Cl)cccc1-n1c(O)c2n(-c3ccccc3)[n-]c(-c3ccc([N+](=O)[O-])cc3)c-2c1=O	ZINC000103769159	569837916	/nfs/dbraw/zinc/83/79/16/569837916.db2.gz	DAPJEZMBURUODK-UNMCSNQZSA-N	-1	3	460.877	4.339	40	5		JIBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000013805556	555623225	/nfs/dbraw/zinc/62/32/25/555623225.db2.gz	IKRQVWJBYZXCQS-ACRUOGEOSA-N	-1	3	467.840	4.438	40	5		JIBBHM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)c1	ZINC000033665836	569630333	/nfs/dbraw/zinc/63/03/33/569630333.db2.gz	GPQOMXHQVXVOOU-UHFFFAOYSA-N	-1	3	469.519	4.338	40	5		JIBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1	ZINC000101075913	569781598	/nfs/dbraw/zinc/78/15/98/569781598.db2.gz	WBNRSNDIXOEGFN-NJYVYQBISA-N	-1	3	494.301	4.408	40	5		JIBBHM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	ZINC000107770058	569857369	/nfs/dbraw/zinc/85/73/69/569857369.db2.gz	VMUAYMGCKZQBBA-UHFFFAOYSA-N	-1	3	455.492	4.030	40	5		JIBBHM
CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1	ZINC000006142192	554508461	/nfs/dbraw/zinc/50/84/61/554508461.db2.gz	PXQIWNKHRHOWMU-ZLNRFVROSA-N	-1	3	459.458	4.045	40	5		JIBBHM
O=C1S/C(=C\c2ccc([O-])c(I)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000106728542	569855244	/nfs/dbraw/zinc/85/52/44/569855244.db2.gz	IAIGGSDNTKOQLR-NVNXTCNLSA-N	-1	3	482.255	4.142	40	5		JIBBHM
COc1ccc(C(=O)CC(=C([O-])c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000408687824	570014357	/nfs/dbraw/zinc/01/43/57/570014357.db2.gz	VEWSKTLNNCYWAV-QHCPKHFHSA-N	-1	3	467.499	4.210	40	5		JIBBHM
O=c1[n-]c(=O)c2ccc3c4ccc5c(=O)n(-c6ccccc6)c(=O)c6ccc(c7ccc1c2c73)c4c65	ZINC000005386999	554489279	/nfs/dbraw/zinc/48/92/79/554489279.db2.gz	GXVMPSBKWSPHIF-UHFFFAOYSA-N	-1	3	466.452	4.479	40	5		JIBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1	ZINC000013787060	555619447	/nfs/dbraw/zinc/61/94/47/555619447.db2.gz	WBNRSNDIXOEGFN-ACRUOGEOSA-N	-1	3	494.301	4.408	40	5		JIBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000018062882	556281888	/nfs/dbraw/zinc/28/18/88/556281888.db2.gz	XXIMKWSBZNDJIM-HJOGWXRNSA-N	-1	3	473.485	4.435	40	5		JIBBHM
CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1	ZINC000100615809	569765584	/nfs/dbraw/zinc/76/55/84/569765584.db2.gz	PXQIWNKHRHOWMU-VJBWXMMDSA-N	-1	3	459.458	4.045	40	5		JIBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000102762137	569822298	/nfs/dbraw/zinc/82/22/98/569822298.db2.gz	IKRQVWJBYZXCQS-HKBOAZHASA-N	-1	3	467.840	4.438	40	5		JIBBHM
COc1cccc(C([O-])=C(CC(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)c1	ZINC000408682951	570013064	/nfs/dbraw/zinc/01/30/64/570013064.db2.gz	KJOGJEBPPOYUHQ-QHCPKHFHSA-N	-1	3	467.499	4.210	40	5		JIBBHM
Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1cc(Br)ccc1[O-]	ZINC000408541785	570191728	/nfs/dbraw/zinc/19/17/28/570191728.db2.gz	FUYNGAJUMMLDJM-UHFFFAOYSA-N	-1	3	498.746	4.243	40	5		JIBBHM
COc1ccccc1-n1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1[O-]	ZINC000006177107	554514679	/nfs/dbraw/zinc/51/46/79/554514679.db2.gz	WJQCZBRFTIWAHE-UHFFFAOYSA-N	-1	3	477.502	4.288	40	5		JIBBHM
O=C1[C@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccc(Cl)cc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000095909130	569729453	/nfs/dbraw/zinc/72/94/53/569729453.db2.gz	NHZSTDKVUILCCA-NJYVYQBISA-N	-1	3	494.847	4.208	40	5		JIBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000100952678	569777736	/nfs/dbraw/zinc/77/77/36/569777736.db2.gz	ABHSKXFQMILWRZ-VXNXHJTFSA-N	-1	3	473.485	4.435	40	5		JIBBHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1Br)ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000102710927	569817001	/nfs/dbraw/zinc/81/70/01/569817001.db2.gz	VUCDUKWQOFVHBX-NJYVYQBISA-N	-1	3	494.301	4.408	40	5		JIBBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(C)c2)cc1	ZINC000408674567	570009197	/nfs/dbraw/zinc/00/91/97/570009197.db2.gz	AQFHPMGZNUHRPO-UHFFFAOYSA-N	-1	3	485.518	4.120	40	5		JIBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(C)c2)cc1C	ZINC000408674981	570009809	/nfs/dbraw/zinc/00/98/09/570009809.db2.gz	ODORKOMOAYXBGL-UHFFFAOYSA-N	-1	3	469.519	4.338	40	5		JIBBHM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000408920427	570076947	/nfs/dbraw/zinc/07/69/47/570076947.db2.gz	HHSBOUZULLZKPA-UHFFFAOYSA-N	-1	3	487.559	4.276	40	5		JIBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1	ZINC000408584169	570207493	/nfs/dbraw/zinc/20/74/93/570207493.db2.gz	MOUUBAPXAIWXEU-UHFFFAOYSA-N	-1	3	475.910	4.375	40	5		JIBBHM
CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000013804791	555623028	/nfs/dbraw/zinc/62/30/28/555623028.db2.gz	WGZWDBGGJLQTEJ-VJBWXMMDSA-N	-1	3	459.458	4.045	40	5		JIBBHM
COc1c(C)cc(Br)cc1C(=O)NC(=S)[N-]c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000014269675	555759809	/nfs/dbraw/zinc/75/98/09/555759809.db2.gz	YHJMUWMNZKBUFS-UHFFFAOYSA-N	-1	3	458.721	4.455	40	5		JIBBHM
COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000006142148	524397267	/nfs/dbraw/zinc/39/72/67/524397267.db2.gz	OAHWDTQRGQNEJU-VSKRKVRLSA-N	-1	3	479.876	4.308	40	5		JIBBHM
O=C(CSc1nnc(-c2ccccc2[O-])n1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1	ZINC000000892329	553829943	/nfs/dbraw/zinc/82/99/43/553829943.db2.gz	GEAQEQVGZGNYRL-UHFFFAOYSA-N	-1	3	461.503	4.338	40	5		JIBBHM
CC(=O)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21	ZINC000008974855	554846288	/nfs/dbraw/zinc/84/62/88/554846288.db2.gz	WVFGNIMBQFZYTP-KALPRAJFSA-N	-1	3	479.492	4.157	40	5		JIBBHM
COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@]32C)cc1	ZINC000009334839	555102219	/nfs/dbraw/zinc/10/22/19/555102219.db2.gz	IFZCGEDPQUXAFJ-TZBSWOFLSA-N	-1	3	459.458	4.045	40	5		JIBBHM
COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000009501937	555286358	/nfs/dbraw/zinc/28/63/58/555286358.db2.gz	YBVDIFBWHOGWLW-BDTNDASRSA-N	-1	3	479.876	4.308	40	5		JIBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000013811062	555626841	/nfs/dbraw/zinc/62/68/41/555626841.db2.gz	MIZCSTOGSNAMQH-ACRUOGEOSA-N	-1	3	467.840	4.438	40	5		JIBBHM
COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2c(F)cccc2Cl)c1	ZINC000018068397	556283597	/nfs/dbraw/zinc/28/35/97/556283597.db2.gz	XFTLROUOYLTKNN-FSSWDIPSSA-N	-1	3	497.866	4.447	40	5		JIBBHM
COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000102738381	569818984	/nfs/dbraw/zinc/81/89/84/569818984.db2.gz	TVXUPODSUZCLEI-BHIFYINESA-N	-1	3	479.876	4.308	40	5		JIBBHM
CSc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102761749	569822325	/nfs/dbraw/zinc/82/23/25/569822325.db2.gz	LJXSTPREHRDJNC-FDFHNCONSA-N	-1	3	461.499	4.368	40	5		JIBBHM
O=C1S/C(=C\c2ccc([O-])c(I)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000106740390	569855379	/nfs/dbraw/zinc/85/53/79/569855379.db2.gz	UYIGUIZIMCNELG-NVNXTCNLSA-N	-1	3	482.255	4.142	40	5		JIBBHM
CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1ccc([O-])c(OCC)c1[N+](=O)[O-]	ZINC000261363241	570167849	/nfs/dbraw/zinc/16/78/49/570167849.db2.gz	QFEFZYVPUASSNR-HXUWFJFHSA-O	-1	3	470.531	4.014	40	5		JIBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1Cl	ZINC000408590140	570208933	/nfs/dbraw/zinc/20/89/33/570208933.db2.gz	JNRRGMQAKPNDBR-UHFFFAOYSA-N	-1	3	475.910	4.375	40	5		JIBBHM
Cc1ccc([N-]c2c(C(=O)N3CC(=O)Nc4ccccc43)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1	ZINC000016284982	525322195	/nfs/dbraw/zinc/32/21/95/525322195.db2.gz	AOSYFTGAYLMYQV-UHFFFAOYSA-N	-1	3	461.434	4.462	40	5		JIBBHM
Cc1ccc(C([O-])=C2[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1	ZINC000012946454	556157667	/nfs/dbraw/zinc/15/76/67/556157667.db2.gz	QROPNDQWOQPCBZ-DXIQSLLYSA-N	-1	3	489.406	4.267	40	5		JIBBHM
COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000018059707	556281512	/nfs/dbraw/zinc/28/15/12/556281512.db2.gz	YBVDIFBWHOGWLW-FKBYEOEOSA-N	-1	3	479.876	4.308	40	5		JIBBHM
COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000095528618	569725364	/nfs/dbraw/zinc/72/53/64/569725364.db2.gz	OAHWDTQRGQNEJU-BDTNDASRSA-N	-1	3	479.876	4.308	40	5		JIBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000100952671	569777746	/nfs/dbraw/zinc/77/77/46/569777746.db2.gz	ABHSKXFQMILWRZ-SGNDLWITSA-N	-1	3	473.485	4.435	40	5		JIBBHM
CCc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101130523	569783968	/nfs/dbraw/zinc/78/39/68/569783968.db2.gz	INKGUAIAJDNUEY-VABKMULXSA-N	-1	3	461.449	4.347	40	5		JIBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccc(Cl)cc1)[C@@H]2c1cccs1	ZINC000004163353	194381937	/nfs/dbraw/zinc/38/19/37/194381937.db2.gz	YTBKTEVAVYLOSN-OTWHNJEPSA-N	-1	3	455.879	4.361	40	5		JIBBHM
O=C1[C@@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccc(Cl)cc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000012017472	555885381	/nfs/dbraw/zinc/88/53/81/555885381.db2.gz	NHZSTDKVUILCCA-ACRUOGEOSA-N	-1	3	494.847	4.208	40	5		JIBBHM
CSc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000018066565	556282200	/nfs/dbraw/zinc/28/22/00/556282200.db2.gz	LJXSTPREHRDJNC-FKBYEOEOSA-N	-1	3	461.499	4.368	40	5		JIBBHM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)c1	ZINC000033770347	569634164	/nfs/dbraw/zinc/63/41/64/569634164.db2.gz	MQFXWXBDBDYUMY-UHFFFAOYSA-N	-1	3	469.519	4.338	40	5		JIBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1	ZINC000100920816	569775898	/nfs/dbraw/zinc/77/58/98/569775898.db2.gz	KCPCMULNQZKOGI-SGNDLWITSA-N	-1	3	473.485	4.435	40	5		JIBBHM
COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1[O-]	ZINC000205697703	569874190	/nfs/dbraw/zinc/87/41/90/569874190.db2.gz	UBBLNHCQWIOPNH-OVCLIPMQSA-N	-1	3	465.281	4.308	40	5		JIBBHM
COc1cccc(C([O-])=C(CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)c1	ZINC000408682131	570012807	/nfs/dbraw/zinc/01/28/07/570012807.db2.gz	IYMDGRYKBVAGLS-QHCPKHFHSA-N	-1	3	467.499	4.210	40	5		JIBBHM
COc1ccc(C([O-])=C(CC(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000408688696	570014664	/nfs/dbraw/zinc/01/46/64/570014664.db2.gz	WVWWSVVXTVWQRN-HSZRJFAPSA-N	-1	3	467.499	4.210	40	5		JIBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000036277648	520386472	/nfs/dbraw/zinc/38/64/72/520386472.db2.gz	XXIMKWSBZNDJIM-SMIHKQSGSA-N	-1	3	473.485	4.435	40	5		JIBBHM
Cc1ccc(C([O-])=C2[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1	ZINC000008915307	554808659	/nfs/dbraw/zinc/80/86/59/554808659.db2.gz	QROPNDQWOQPCBZ-XQBPLPMBSA-N	-1	3	489.406	4.267	40	5		JIBBHM
CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000009232473	555004754	/nfs/dbraw/zinc/00/47/54/555004754.db2.gz	ZNSABAHOLSKQRR-ZRBLBEILSA-N	-1	3	459.458	4.045	40	5		JIBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000009331346	555101074	/nfs/dbraw/zinc/10/10/74/555101074.db2.gz	ABHSKXFQMILWRZ-SMIHKQSGSA-N	-1	3	473.485	4.435	40	5		JIBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccccc2)cc1	ZINC000013786488	555619156	/nfs/dbraw/zinc/61/91/56/555619156.db2.gz	NMSXMQASPHSVCT-HJOGWXRNSA-N	-1	3	473.485	4.435	40	5		JIBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000217430826	569880040	/nfs/dbraw/zinc/88/00/40/569880040.db2.gz	BZSCIBJFJDDIMP-HBMCJLEFSA-N	-1	3	494.847	4.208	40	5		JIBBHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C	ZINC000408675993	570010572	/nfs/dbraw/zinc/01/05/72/570010572.db2.gz	MMWSDQVAYVYZSD-UHFFFAOYSA-N	-1	3	473.482	4.169	40	5		JIBBHM