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(NCCC[NH+]1CCOCC1)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000016400976	527671697	/nfs/dbraw/zinc/67/16/97/527671697.db2.gz	RONNUOTZTBFVAW-UHFFFAOYSA-N	1	1	457.443	2.207	50	5		JEBAMO
Cc1ccc2nc3c(cc(C(=O)NC4CCCCC4)c(=N)n3CCC[NH+]3CCOCC3)c(=O)n2c1	ZINC000015952802	556086848	/nfs/dbraw/zinc/08/68/48/556086848.db2.gz	GTMFTNXGCULFHU-UHFFFAOYSA-N	1	1	478.597	2.222	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000015996696	556103124	/nfs/dbraw/zinc/10/31/24/556103124.db2.gz	AKOZZOGJIMQJRC-QLBZUPSYSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000015996696	556103127	/nfs/dbraw/zinc/10/31/27/556103127.db2.gz	AKOZZOGJIMQJRC-QLBZUPSYSA-N	1	1	462.462	2.343	50	5		JEBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1	ZINC000016994612	556199073	/nfs/dbraw/zinc/19/90/73/556199073.db2.gz	YFDMJGABDQTZBF-RDPSFJRHSA-N	1	1	463.494	2.419	50	5		JEBAMO
CN1CCN(S(=O)(=O)c2ccc(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)c([N+](=O)[O-])c2)CC1	ZINC000035292529	569679702	/nfs/dbraw/zinc/67/97/02/569679702.db2.gz	ONXHSZDJQIECIJ-UHFFFAOYSA-N	1	1	491.589	2.382	50	5		JEBAMO
CCN1C[C@@H](C[N@H+](C)CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)Oc2ccccc21	ZINC000040012113	569813873	/nfs/dbraw/zinc/81/38/73/569813873.db2.gz	JALYYMILKRVJNI-LJQANCHMSA-N	1	1	453.543	2.463	50	5		JEBAMO
CCN1C[C@@H](C[N@@H+](C)CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)Oc2ccccc21	ZINC000040012113	569813875	/nfs/dbraw/zinc/81/38/75/569813875.db2.gz	JALYYMILKRVJNI-LJQANCHMSA-N	1	1	453.543	2.463	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000104046882	569840162	/nfs/dbraw/zinc/84/01/62/569840162.db2.gz	DGSJIPGDKZIUTJ-KCOOYEKVSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000104046882	569840163	/nfs/dbraw/zinc/84/01/63/569840163.db2.gz	DGSJIPGDKZIUTJ-KCOOYEKVSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccc(C)cc21	ZINC000049705696	569850080	/nfs/dbraw/zinc/85/00/80/569850080.db2.gz	UKIMYBMMSAINOY-MDTICMOCSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1cccc2C	ZINC000049721901	569850216	/nfs/dbraw/zinc/85/02/16/569850216.db2.gz	PENSRQGJEMXDOL-NARGUJOISA-N	1	1	462.462	2.343	50	5		JEBAMO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O	ZINC000248117981	570074291	/nfs/dbraw/zinc/07/42/91/570074291.db2.gz	QJYFDCKLGAXMGP-LVBDUCALSA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O	ZINC000248117981	570074293	/nfs/dbraw/zinc/07/42/93/570074293.db2.gz	QJYFDCKLGAXMGP-LVBDUCALSA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O	ZINC000248134608	570075196	/nfs/dbraw/zinc/07/51/96/570075196.db2.gz	YXHHOQGOVZDCFY-YIKPNSEUSA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O	ZINC000248134608	570075198	/nfs/dbraw/zinc/07/51/98/570075198.db2.gz	YXHHOQGOVZDCFY-YIKPNSEUSA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1	ZINC000023847100	556092305	/nfs/dbraw/zinc/09/23/05/556092305.db2.gz	AOMVZTPLZDCOBR-UHFFFAOYSA-N	1	1	482.537	2.241	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016001393	556106406	/nfs/dbraw/zinc/10/64/06/556106406.db2.gz	CYAYEQKWETZYTR-CMCWBKRRSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016001393	556106407	/nfs/dbraw/zinc/10/64/07/556106407.db2.gz	CYAYEQKWETZYTR-CMCWBKRRSA-N	1	1	462.462	2.343	50	5		JEBAMO
O=C(C[N@H+]1CCCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC1)N1CCCC1	ZINC000024765250	556152869	/nfs/dbraw/zinc/15/28/69/556152869.db2.gz	DQQNHBPAAJOTAW-UHFFFAOYSA-N	1	1	493.630	2.294	50	5		JEBAMO
O=C(C[N@@H+]1CCCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC1)N1CCCC1	ZINC000024765250	556152871	/nfs/dbraw/zinc/15/28/71/556152871.db2.gz	DQQNHBPAAJOTAW-UHFFFAOYSA-N	1	1	493.630	2.294	50	5		JEBAMO
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	ZINC000032903060	556529752	/nfs/dbraw/zinc/52/97/52/556529752.db2.gz	NRIOYVOMGHVLTD-OAQYLSRUSA-N	1	1	454.483	2.216	50	5		JEBAMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)c(C)cc1[N+](=O)[O-]	ZINC000035851757	569716541	/nfs/dbraw/zinc/71/65/41/569716541.db2.gz	QJMTVDYYNXWLHH-RXYORGTDSA-N	1	1	480.452	2.482	50	5		JEBAMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)c(C)cc1[N+](=O)[O-]	ZINC000035851757	569716542	/nfs/dbraw/zinc/71/65/42/569716542.db2.gz	QJMTVDYYNXWLHH-RXYORGTDSA-N	1	1	480.452	2.482	50	5		JEBAMO
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12)N1CCOCC1	ZINC000035871051	569718485	/nfs/dbraw/zinc/71/84/85/569718485.db2.gz	PDRLGCCGABIKKU-UPVQGACJSA-N	1	1	466.538	2.196	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000248119096	570074434	/nfs/dbraw/zinc/07/44/34/570074434.db2.gz	CUMJHSMWEYUXTD-VUYBDXIFSA-N	1	1	478.461	2.043	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000248119096	570074435	/nfs/dbraw/zinc/07/44/35/570074435.db2.gz	CUMJHSMWEYUXTD-VUYBDXIFSA-N	1	1	478.461	2.043	50	5		JEBAMO
C[NH+](C)CC(=O)Nc1c(I)cc([N+](=O)[O-])cc1I	ZINC000004015678	194369732	/nfs/dbraw/zinc/36/97/32/194369732.db2.gz	FFZLKONYCYTIDX-UHFFFAOYSA-N	1	1	475.024	2.304	50	5		JEBAMO
Cc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(CCC[NH+]3CCOCC3)c2=N)cc1	ZINC000002427416	554202365	/nfs/dbraw/zinc/20/23/65/554202365.db2.gz	DGNYYJQNUMWKDP-UHFFFAOYSA-N	1	1	486.576	2.089	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000009358677	555122718	/nfs/dbraw/zinc/12/27/18/555122718.db2.gz	CYAYEQKWETZYTR-AZXNSQLWSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000009358677	555122723	/nfs/dbraw/zinc/12/27/23/555122723.db2.gz	CYAYEQKWETZYTR-AZXNSQLWSA-N	1	1	462.462	2.343	50	5		JEBAMO
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1NCCC[NH+]1CCOCC1	ZINC000019597440	556356840	/nfs/dbraw/zinc/35/68/40/556356840.db2.gz	GQLJCRAJQBUXPR-UHFFFAOYSA-N	1	1	489.598	2.240	50	5		JEBAMO
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000248117920	570074280	/nfs/dbraw/zinc/07/42/80/570074280.db2.gz	QJMTVDYYNXWLHH-GKIGCEAWSA-N	1	1	480.452	2.482	50	5		JEBAMO
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000248117920	570074282	/nfs/dbraw/zinc/07/42/82/570074282.db2.gz	QJMTVDYYNXWLHH-GKIGCEAWSA-N	1	1	480.452	2.482	50	5		JEBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O	ZINC000248133458	570075104	/nfs/dbraw/zinc/07/51/04/570075104.db2.gz	YDSDGRPYRSJFHX-RTXPOLOASA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O	ZINC000248133458	570075105	/nfs/dbraw/zinc/07/51/05/570075105.db2.gz	YDSDGRPYRSJFHX-RTXPOLOASA-N	1	1	450.426	2.474	50	5		JEBAMO
CC1CCC(NS(=O)(=O)c2ccc(NCCC[N@H+]3CCC[C@H](C(N)=O)C3)c([N+](=O)[O-])c2)CC1	ZINC000058293284	195376127	/nfs/dbraw/zinc/37/61/27/195376127.db2.gz	MNTYLLFSEWAHFV-ADKAHSJRSA-N	1	1	481.619	2.451	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009327736	555098332	/nfs/dbraw/zinc/09/83/32/555098332.db2.gz	CUMJHSMWEYUXTD-AYFLJRIOSA-N	1	1	478.461	2.043	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009327736	555098334	/nfs/dbraw/zinc/09/83/34/555098334.db2.gz	CUMJHSMWEYUXTD-AYFLJRIOSA-N	1	1	478.461	2.043	50	5		JEBAMO
O=C(CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCC2)Nc1ccc([N+](=O)[O-])cc1	ZINC000022909020	555965919	/nfs/dbraw/zinc/96/59/19/555965919.db2.gz	RCHLGHUUJFLPRD-UHFFFAOYSA-N	1	1	473.555	2.093	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000015998853	556103841	/nfs/dbraw/zinc/10/38/41/556103841.db2.gz	DGSJIPGDKZIUTJ-CMCWBKRRSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000015998853	556103842	/nfs/dbraw/zinc/10/38/42/556103842.db2.gz	DGSJIPGDKZIUTJ-CMCWBKRRSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035419834	569692232	/nfs/dbraw/zinc/69/22/32/569692232.db2.gz	CYAYEQKWETZYTR-MTXNFPGFSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035419834	569692233	/nfs/dbraw/zinc/69/22/33/569692233.db2.gz	CYAYEQKWETZYTR-MTXNFPGFSA-N	1	1	462.462	2.343	50	5		JEBAMO
CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccccc4)C[C@H]32)C1=O	ZINC000230039208	570043869	/nfs/dbraw/zinc/04/38/69/570043869.db2.gz	ZNBNXIPIZWJYMP-OFVILXPXSA-N	1	1	477.521	2.317	50	5		JEBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cccc4C)[C@H]2C1=O	ZINC000248336892	570077903	/nfs/dbraw/zinc/07/79/03/570077903.db2.gz	PENSRQGJEMXDOL-ZBAMRAGRSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O	ZINC000248340206	570078073	/nfs/dbraw/zinc/07/80/73/570078073.db2.gz	UKIMYBMMSAINOY-FROCWPDGSA-N	1	1	462.462	2.343	50	5		JEBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000252430660	570080457	/nfs/dbraw/zinc/08/04/57/570080457.db2.gz	COZVZLVOMBYYJR-GCJKJVERSA-N	1	1	469.885	2.194	50	5		JEBAMO
C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000252430660	570080459	/nfs/dbraw/zinc/08/04/59/570080459.db2.gz	COZVZLVOMBYYJR-GCJKJVERSA-N	1	1	469.885	2.194	50	5		JEBAMO
Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)c(F)cc3[N+](=O)[O-])CC2)cc1	ZINC000016156671	525546969	/nfs/dbraw/zinc/54/69/69/525546969.db2.gz	QMDZOLCMTVSZGU-UHFFFAOYSA-N	1	1	477.562	2.305	50	5		JEBAMO
O=[N+]([O-])c1cccc(-c2noc(CC[N@@H+](Cc3ccccc3)C[C@@H](O)CN3CCOCC3)n2)c1	ZINC000036147750	527383097	/nfs/dbraw/zinc/38/30/97/527383097.db2.gz	BGWPEVHLASFSGX-QFIPXVFZSA-N	1	1	467.526	2.383	50	5		JEBAMO
O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000014801072	527602737	/nfs/dbraw/zinc/60/27/37/527602737.db2.gz	VIWGTOXOLPYWAA-SNAWJCMRSA-N	1	1	475.498	2.031	50	5		JEBAMO
CCN(CC)C(=O)C[N@@H+]1CCCN(c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])CC1	ZINC000012528070	555996559	/nfs/dbraw/zinc/99/65/59/555996559.db2.gz	FWKDLTKAIBVXSN-UHFFFAOYSA-N	1	1	495.646	2.396	50	5		JEBAMO
CCN(CC)C(=O)C[N@H+]1CCCN(c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])CC1	ZINC000012528070	555996565	/nfs/dbraw/zinc/99/65/65/555996565.db2.gz	FWKDLTKAIBVXSN-UHFFFAOYSA-N	1	1	495.646	2.396	50	5		JEBAMO
C[NH+]1CCN(C(=O)C23C[C@H]4C[C@@H](C2)CC(n2nc([N+](=O)[O-])nc2Br)(C4)C3)CC1	ZINC000017136195	556223759	/nfs/dbraw/zinc/22/37/59/556223759.db2.gz	RGULVGMGLOCRSC-NLKGSNSHSA-N	1	1	453.341	2.018	50	5		JEBAMO
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	ZINC000032903059	556529724	/nfs/dbraw/zinc/52/97/24/556529724.db2.gz	NRIOYVOMGHVLTD-NRFANRHFSA-N	1	1	454.483	2.216	50	5		JEBAMO
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12)N1CCOCC1	ZINC000035871017	569718457	/nfs/dbraw/zinc/71/84/57/569718457.db2.gz	MPANCGMMXCOHHF-GMAHTHKFSA-N	1	1	454.502	2.456	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000104055710	569840120	/nfs/dbraw/zinc/84/01/20/569840120.db2.gz	JQLILFXQTBDGDW-ZHNFZGJGSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000104055710	569840121	/nfs/dbraw/zinc/84/01/21/569840121.db2.gz	JQLILFXQTBDGDW-ZHNFZGJGSA-N	1	1	462.462	2.343	50	5		JEBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccc(F)cc21	ZINC000001315935	194083760	/nfs/dbraw/zinc/08/37/60/194083760.db2.gz	YXHHOQGOVZDCFY-QYUDBREXSA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccc(F)cc21	ZINC000001315935	194083763	/nfs/dbraw/zinc/08/37/63/194083763.db2.gz	YXHHOQGOVZDCFY-QYUDBREXSA-N	1	1	450.426	2.474	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000009360042	555123375	/nfs/dbraw/zinc/12/33/75/555123375.db2.gz	JQLILFXQTBDGDW-TYZOXTDXSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000009360042	555123377	/nfs/dbraw/zinc/12/33/77/555123377.db2.gz	JQLILFXQTBDGDW-TYZOXTDXSA-N	1	1	462.462	2.343	50	5		JEBAMO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2ccc(F)cc21	ZINC000016001682	556106697	/nfs/dbraw/zinc/10/66/97/556106697.db2.gz	QJYFDCKLGAXMGP-YWNPBTLJSA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2ccc(F)cc21	ZINC000016001682	556106700	/nfs/dbraw/zinc/10/67/00/556106700.db2.gz	QJYFDCKLGAXMGP-YWNPBTLJSA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1c(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cccc1[N+](=O)[O-]	ZINC000032903062	556529853	/nfs/dbraw/zinc/52/98/53/556529853.db2.gz	WAJCTQUPOWDSLV-OAQYLSRUSA-N	1	1	454.483	2.216	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000035104944	569675016	/nfs/dbraw/zinc/67/50/16/569675016.db2.gz	AKOZZOGJIMQJRC-OKFYXZINSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000035104944	569675018	/nfs/dbraw/zinc/67/50/18/569675018.db2.gz	AKOZZOGJIMQJRC-OKFYXZINSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035840424	569713833	/nfs/dbraw/zinc/71/38/33/569713833.db2.gz	DGSJIPGDKZIUTJ-MTXNFPGFSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035840424	569713834	/nfs/dbraw/zinc/71/38/34/569713834.db2.gz	DGSJIPGDKZIUTJ-MTXNFPGFSA-N	1	1	462.462	2.343	50	5		JEBAMO
C[N@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)n1	ZINC000035926484	569729844	/nfs/dbraw/zinc/72/98/44/569729844.db2.gz	BKWOFHGFQNWPQF-UHFFFAOYSA-N	1	1	462.510	2.273	50	5		JEBAMO
C[N@@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)n1	ZINC000035926484	569729845	/nfs/dbraw/zinc/72/98/45/569729845.db2.gz	BKWOFHGFQNWPQF-UHFFFAOYSA-N	1	1	462.510	2.273	50	5		JEBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1	ZINC000036329155	569763385	/nfs/dbraw/zinc/76/33/85/569763385.db2.gz	YFDMJGABDQTZBF-GBXCKJPGSA-N	1	1	463.494	2.419	50	5		JEBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccc(C)cc21	ZINC000049721906	569850138	/nfs/dbraw/zinc/85/01/38/569850138.db2.gz	UZULCSSVBFAWMU-QLBZUPSYSA-N	1	1	462.462	2.343	50	5		JEBAMO
O=C(NCCC[NH+]1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12	ZINC000169681600	569870877	/nfs/dbraw/zinc/87/08/77/569870877.db2.gz	LGHGKUKMMQNBHB-NOZRDPDXSA-N	1	1	497.571	2.440	50	5		JEBAMO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O	ZINC000248117986	570074456	/nfs/dbraw/zinc/07/44/56/570074456.db2.gz	QJYFDCKLGAXMGP-RTXPOLOASA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O	ZINC000248117986	570074457	/nfs/dbraw/zinc/07/44/57/570074457.db2.gz	QJYFDCKLGAXMGP-RTXPOLOASA-N	1	1	450.426	2.474	50	5		JEBAMO
C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1	ZINC000012416767	523930731	/nfs/dbraw/zinc/93/07/31/523930731.db2.gz	COZVZLVOMBYYJR-PGRDOPGGSA-N	1	1	469.885	2.194	50	5		JEBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1	ZINC000012416767	523930733	/nfs/dbraw/zinc/93/07/33/523930733.db2.gz	COZVZLVOMBYYJR-PGRDOPGGSA-N	1	1	469.885	2.194	50	5		JEBAMO
O=[N+]([O-])c1cccc(-c2noc(CC[N@@H+](Cc3ccccc3)C[C@H](O)CN3CCOCC3)n2)c1	ZINC000036147747	527382727	/nfs/dbraw/zinc/38/27/27/527382727.db2.gz	BGWPEVHLASFSGX-JOCHJYFZSA-N	1	1	467.526	2.383	50	5		JEBAMO
Cc1cccn2c1nc1c(cc(C(=O)NCc3ccccc3)c(=N)n1CCC[NH+]1CCOCC1)c2=O	ZINC000002701186	554294339	/nfs/dbraw/zinc/29/43/39/554294339.db2.gz	DZMMIGSNRKYRLW-UHFFFAOYSA-N	1	1	486.576	2.089	50	5		JEBAMO
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32C(=O)Nc3ccc(F)cc32)cc1[N+](=O)[O-]	ZINC000016000152	556104695	/nfs/dbraw/zinc/10/46/95/556104695.db2.gz	KAWNYORZUKCAHC-FAODYONGSA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3ccc(F)cc32)cc1[N+](=O)[O-]	ZINC000016000152	556104696	/nfs/dbraw/zinc/10/46/96/556104696.db2.gz	KAWNYORZUKCAHC-FAODYONGSA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1cccc(N2CC[NH+](CCNc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)c1	ZINC000031577109	556399776	/nfs/dbraw/zinc/39/97/76/556399776.db2.gz	NJEHZRMMZCVBIG-UHFFFAOYSA-N	1	1	489.598	2.158	50	5		JEBAMO
O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000096931144	569743838	/nfs/dbraw/zinc/74/38/38/569743838.db2.gz	VIWGTOXOLPYWAA-PLNGDYQASA-N	1	1	475.498	2.031	50	5		JEBAMO
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1[N+](=O)[O-]	ZINC000247986848	570072139	/nfs/dbraw/zinc/07/21/39/570072139.db2.gz	KAWNYORZUKCAHC-OSJYTEGDSA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1[N+](=O)[O-]	ZINC000247986848	570072140	/nfs/dbraw/zinc/07/21/40/570072140.db2.gz	KAWNYORZUKCAHC-OSJYTEGDSA-N	1	1	450.426	2.474	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000009350987	555117413	/nfs/dbraw/zinc/11/74/13/555117413.db2.gz	DGSJIPGDKZIUTJ-AZXNSQLWSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000009350987	555117415	/nfs/dbraw/zinc/11/74/15/555117415.db2.gz	DGSJIPGDKZIUTJ-AZXNSQLWSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000015997033	556103620	/nfs/dbraw/zinc/10/36/20/556103620.db2.gz	JQLILFXQTBDGDW-QLBZUPSYSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000015997033	556103623	/nfs/dbraw/zinc/10/36/23/556103623.db2.gz	JQLILFXQTBDGDW-QLBZUPSYSA-N	1	1	462.462	2.343	50	5		JEBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2ccc(F)cc21	ZINC000016001518	556106686	/nfs/dbraw/zinc/10/66/86/556106686.db2.gz	YDSDGRPYRSJFHX-YWNPBTLJSA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2ccc(F)cc21	ZINC000016001518	556106687	/nfs/dbraw/zinc/10/66/87/556106687.db2.gz	YDSDGRPYRSJFHX-YWNPBTLJSA-N	1	1	450.426	2.474	50	5		JEBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2ccc(C)cc21	ZINC000016001989	556107104	/nfs/dbraw/zinc/10/71/04/556107104.db2.gz	UZULCSSVBFAWMU-GHCZAOPSSA-N	1	1	462.462	2.343	50	5		JEBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2ccc(F)cc21	ZINC000016033712	556117927	/nfs/dbraw/zinc/11/79/27/556117927.db2.gz	YXHHOQGOVZDCFY-FAODYONGSA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2ccc(F)cc21	ZINC000016033712	556117929	/nfs/dbraw/zinc/11/79/29/556117929.db2.gz	YXHHOQGOVZDCFY-FAODYONGSA-N	1	1	450.426	2.474	50	5		JEBAMO
CCN1C[C@H](C[N@H+](C)CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)Oc2ccccc21	ZINC000040012112	569813697	/nfs/dbraw/zinc/81/36/97/569813697.db2.gz	JALYYMILKRVJNI-IBGZPJMESA-N	1	1	453.543	2.463	50	5		JEBAMO
CCN1C[C@H](C[N@@H+](C)CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)Oc2ccccc21	ZINC000040012112	569813699	/nfs/dbraw/zinc/81/36/99/569813699.db2.gz	JALYYMILKRVJNI-IBGZPJMESA-N	1	1	453.543	2.463	50	5		JEBAMO
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12)N1CCOCC1	ZINC000104915661	569846749	/nfs/dbraw/zinc/84/67/49/569846749.db2.gz	MPANCGMMXCOHHF-GGAORHGYSA-N	1	1	454.502	2.456	50	5		JEBAMO
CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)[C@H]2C1	ZINC000245326843	570064963	/nfs/dbraw/zinc/06/49/63/570064963.db2.gz	MBWTUNSTIINXQH-YKSBVNFPSA-N	1	1	479.493	2.144	50	5		JEBAMO
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)[C@H]2C1	ZINC000245326843	570064964	/nfs/dbraw/zinc/06/49/64/570064964.db2.gz	MBWTUNSTIINXQH-YKSBVNFPSA-N	1	1	479.493	2.144	50	5		JEBAMO
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12)N1CCOCC1	ZINC000247397650	570068164	/nfs/dbraw/zinc/06/81/64/570068164.db2.gz	MPANCGMMXCOHHF-JTHBVZDNSA-N	1	1	454.502	2.456	50	5		JEBAMO
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000248117925	570074323	/nfs/dbraw/zinc/07/43/23/570074323.db2.gz	QJMTVDYYNXWLHH-MGXMAZEZSA-N	1	1	480.452	2.482	50	5		JEBAMO
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000248117925	570074324	/nfs/dbraw/zinc/07/43/24/570074324.db2.gz	QJMTVDYYNXWLHH-MGXMAZEZSA-N	1	1	480.452	2.482	50	5		JEBAMO
CCCCCn1c(=N)c(C(=O)NCCC[NH+]2CCOCC2)cc2c1nc1c(C)cccn1c2=O	ZINC000016741786	520330746	/nfs/dbraw/zinc/33/07/46/520330746.db2.gz	ZKRLPTWTVHFAQO-UHFFFAOYSA-N	1	1	466.586	2.079	50	5		JEBAMO
Cc1ccc2nc3c(cc(C(=O)NCc4ccccc4)c(=N)n3CCC[NH+]3CCOCC3)c(=O)n2c1	ZINC000016750702	526255940	/nfs/dbraw/zinc/25/59/40/526255940.db2.gz	UGBQEJKFHVREKK-UHFFFAOYSA-N	1	1	486.576	2.089	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000015998834	556103889	/nfs/dbraw/zinc/10/38/89/556103889.db2.gz	CUMJHSMWEYUXTD-MDTICMOCSA-N	1	1	478.461	2.043	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000015998834	556103892	/nfs/dbraw/zinc/10/38/92/556103892.db2.gz	CUMJHSMWEYUXTD-MDTICMOCSA-N	1	1	478.461	2.043	50	5		JEBAMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32C(=O)Nc3ccc(F)cc32)c(C)cc1[N+](=O)[O-]	ZINC000016010190	556109461	/nfs/dbraw/zinc/10/94/61/556109461.db2.gz	QJMTVDYYNXWLHH-ODSAXCBOSA-N	1	1	480.452	2.482	50	5		JEBAMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3ccc(F)cc32)c(C)cc1[N+](=O)[O-]	ZINC000016010190	556109463	/nfs/dbraw/zinc/10/94/63/556109463.db2.gz	QJMTVDYYNXWLHH-ODSAXCBOSA-N	1	1	480.452	2.482	50	5		JEBAMO
O=C([C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000025329623	556209084	/nfs/dbraw/zinc/20/90/84/556209084.db2.gz	WTFDYSRCRZLZBK-FQEVSTJZSA-N	1	1	472.567	2.340	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000035840235	569713752	/nfs/dbraw/zinc/71/37/52/569713752.db2.gz	JQLILFXQTBDGDW-OKFYXZINSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000035840235	569713754	/nfs/dbraw/zinc/71/37/54/569713754.db2.gz	JQLILFXQTBDGDW-OKFYXZINSA-N	1	1	462.462	2.343	50	5		JEBAMO
O=C(NCCC[NH+]1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@H]12	ZINC000104920209	569847417	/nfs/dbraw/zinc/84/74/17/569847417.db2.gz	LGHGKUKMMQNBHB-ILBGXUMGSA-N	1	1	497.571	2.440	50	5		JEBAMO
COc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N2CC[NH+](C)CC2)cc1OC	ZINC000012493775	523617816	/nfs/dbraw/zinc/61/78/16/523617816.db2.gz	NNIAPCPVDOUZBE-RGEXLXHISA-N	1	1	454.483	2.157	50	5		JEBAMO
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1[N+](=O)[O-]	ZINC000020462258	524930217	/nfs/dbraw/zinc/93/02/17/524930217.db2.gz	KAWNYORZUKCAHC-QYUDBREXSA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1[N+](=O)[O-]	ZINC000020462258	524930226	/nfs/dbraw/zinc/93/02/26/524930226.db2.gz	KAWNYORZUKCAHC-QYUDBREXSA-N	1	1	450.426	2.474	50	5		JEBAMO
COc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)CC2)cc1	ZINC000012554160	556038162	/nfs/dbraw/zinc/03/81/62/556038162.db2.gz	ARXQIWRXIMZRFS-UHFFFAOYSA-N	1	1	490.582	2.337	50	5		JEBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2ccc(C)cc21	ZINC000018120856	556290257	/nfs/dbraw/zinc/29/02/57/556290257.db2.gz	UKIMYBMMSAINOY-XXPWESIGSA-N	1	1	462.462	2.343	50	5		JEBAMO
CC[NH+]1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N+](=O)[O-])c2)CC1	ZINC000008661892	562948720	/nfs/dbraw/zinc/94/87/20/562948720.db2.gz	MOKMOOPXIJXQQE-MJGOQNOKSA-N	1	1	451.527	2.158	50	5		JEBAMO
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1	ZINC000040151759	569820060	/nfs/dbraw/zinc/82/00/60/569820060.db2.gz	PWWPTNCHCQKYQK-UHFFFAOYSA-N	1	1	460.437	2.379	50	5		JEBAMO
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12)N1CCOCC1	ZINC000104915715	569846863	/nfs/dbraw/zinc/84/68/63/569846863.db2.gz	PDRLGCCGABIKKU-ISKFKSNPSA-N	1	1	466.538	2.196	50	5		JEBAMO
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1[N+](=O)[O-]	ZINC000247986855	570072236	/nfs/dbraw/zinc/07/22/36/570072236.db2.gz	KAWNYORZUKCAHC-YIKPNSEUSA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1[N+](=O)[O-]	ZINC000247986855	570072237	/nfs/dbraw/zinc/07/22/37/570072237.db2.gz	KAWNYORZUKCAHC-YIKPNSEUSA-N	1	1	450.426	2.474	50	5		JEBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O	ZINC000248340571	570078064	/nfs/dbraw/zinc/07/80/64/570078064.db2.gz	UZULCSSVBFAWMU-CSNZXNIXSA-N	1	1	462.462	2.343	50	5		JEBAMO
CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C1=O	ZINC000014943748	521700245	/nfs/dbraw/zinc/70/02/45/521700245.db2.gz	ZNBNXIPIZWJYMP-BWKNWUBXSA-N	1	1	477.521	2.317	50	5		JEBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccc(F)cc21	ZINC000020477456	525565230	/nfs/dbraw/zinc/56/52/30/525565230.db2.gz	YDSDGRPYRSJFHX-QPXQOZNCSA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccc(F)cc21	ZINC000020477456	525565239	/nfs/dbraw/zinc/56/52/39/525565239.db2.gz	YDSDGRPYRSJFHX-QPXQOZNCSA-N	1	1	450.426	2.474	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000009358682	555122806	/nfs/dbraw/zinc/12/28/06/555122806.db2.gz	CYAYEQKWETZYTR-KCOOYEKVSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000009358682	555122810	/nfs/dbraw/zinc/12/28/10/555122810.db2.gz	CYAYEQKWETZYTR-KCOOYEKVSA-N	1	1	462.462	2.343	50	5		JEBAMO
O=C(NCCC[NH+]1CCOCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12	ZINC000035894662	569723020	/nfs/dbraw/zinc/72/30/20/569723020.db2.gz	LGHGKUKMMQNBHB-ZCYQVOJMSA-N	1	1	497.571	2.440	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000104016192	569839886	/nfs/dbraw/zinc/83/98/86/569839886.db2.gz	AKOZZOGJIMQJRC-ZHNFZGJGSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000104016192	569839887	/nfs/dbraw/zinc/83/98/87/569839887.db2.gz	AKOZZOGJIMQJRC-ZHNFZGJGSA-N	1	1	462.462	2.343	50	5		JEBAMO
CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)[C@H]2C1	ZINC000245326842	570064931	/nfs/dbraw/zinc/06/49/31/570064931.db2.gz	MBWTUNSTIINXQH-HYBUGGRVSA-N	1	1	479.493	2.144	50	5		JEBAMO
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)[C@H]2C1	ZINC000245326842	570064932	/nfs/dbraw/zinc/06/49/32/570064932.db2.gz	MBWTUNSTIINXQH-HYBUGGRVSA-N	1	1	479.493	2.144	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000248119089	570074546	/nfs/dbraw/zinc/07/45/46/570074546.db2.gz	CUMJHSMWEYUXTD-UBPTVHNVSA-N	1	1	478.461	2.043	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000248119089	570074548	/nfs/dbraw/zinc/07/45/48/570074548.db2.gz	CUMJHSMWEYUXTD-UBPTVHNVSA-N	1	1	478.461	2.043	50	5		JEBAMO
Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CC[NH+](C)CC4)c3)CC2)cc1	ZINC000004162585	194381613	/nfs/dbraw/zinc/38/16/13/194381613.db2.gz	WRWTVLFUOGSUHO-UHFFFAOYSA-N	1	1	459.572	2.166	50	5		JEBAMO
O=C(CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCC2)Nc1cccc([N+](=O)[O-])c1	ZINC000022909023	555966492	/nfs/dbraw/zinc/96/64/92/555966492.db2.gz	SULNODWALJBIJK-UHFFFAOYSA-N	1	1	473.555	2.093	50	5		JEBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1cccc2C	ZINC000016001944	556107315	/nfs/dbraw/zinc/10/73/15/556107315.db2.gz	PENSRQGJEMXDOL-DOGKRZLPSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cccc4C)[C@H]2C1=O	ZINC000248336889	570077876	/nfs/dbraw/zinc/07/78/76/570077876.db2.gz	PENSRQGJEMXDOL-AVDZWTPASA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O	ZINC000248340572	570078052	/nfs/dbraw/zinc/07/80/52/570078052.db2.gz	UZULCSSVBFAWMU-PLLBJWBMSA-N	1	1	462.462	2.343	50	5		JEBAMO
CC1CCC(NS(=O)(=O)c2ccc(NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)c([N+](=O)[O-])c2)CC1	ZINC000058293286	195376024	/nfs/dbraw/zinc/37/60/24/195376024.db2.gz	MNTYLLFSEWAHFV-LXPRWKDFSA-N	1	1	481.619	2.451	50	5		JEBAMO
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C1=O	ZINC000012411107	521700435	/nfs/dbraw/zinc/70/04/35/521700435.db2.gz	ZNBNXIPIZWJYMP-PXDATVDWSA-N	1	1	477.521	2.317	50	5		JEBAMO
C[NH+](C)CCN1CCC(CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	ZINC000048290381	521757615	/nfs/dbraw/zinc/75/76/15/521757615.db2.gz	DZXFDGJBKDIFDA-UHFFFAOYSA-N	1	1	453.609	2.455	50	5		JEBAMO
Cc1cccn2c1nc1c(cc(C(=O)NC3CCCCC3)c(=N)n1CCC[NH+]1CCOCC1)c2=O	ZINC000009304906	555078074	/nfs/dbraw/zinc/07/80/74/555078074.db2.gz	BYPCFSSOHOLOCZ-UHFFFAOYSA-N	1	1	478.597	2.222	50	5		JEBAMO
C[C@H](NC(=O)c1cc2c(nc3ccccn3c2=O)n(CCC[NH+]2CCOCC2)c1=N)c1ccccc1	ZINC000008433219	569589572	/nfs/dbraw/zinc/58/95/72/569589572.db2.gz	ZOALHSBJALBQRP-IBGZPJMESA-N	1	1	486.576	2.342	50	5		JEBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000252430661	570080438	/nfs/dbraw/zinc/08/04/38/570080438.db2.gz	COZVZLVOMBYYJR-XMSQKQJNSA-N	1	1	469.885	2.194	50	5		JEBAMO
C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000252430661	570080439	/nfs/dbraw/zinc/08/04/39/570080439.db2.gz	COZVZLVOMBYYJR-XMSQKQJNSA-N	1	1	469.885	2.194	50	5		JEBAMO
COc1ccc(C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N2CC[NH+](C)CC2)cc1OC	ZINC000033409270	523617761	/nfs/dbraw/zinc/61/77/61/523617761.db2.gz	NNIAPCPVDOUZBE-XMHGGMMESA-N	1	1	454.483	2.157	50	5		JEBAMO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccc(F)cc21	ZINC000020477658	525931053	/nfs/dbraw/zinc/93/10/53/525931053.db2.gz	QJYFDCKLGAXMGP-QPXQOZNCSA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccc(F)cc21	ZINC000020477658	525931056	/nfs/dbraw/zinc/93/10/56/525931056.db2.gz	QJYFDCKLGAXMGP-QPXQOZNCSA-N	1	1	450.426	2.474	50	5		JEBAMO
O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CCCCC2)c(S(=O)(=O)N2CCOCC2)c1	ZINC000012516741	527363933	/nfs/dbraw/zinc/36/39/33/527363933.db2.gz	LRXSOPDIYKTMCC-UHFFFAOYSA-N	1	1	468.576	2.063	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000009286862	555060508	/nfs/dbraw/zinc/06/05/08/555060508.db2.gz	AKOZZOGJIMQJRC-TYZOXTDXSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000009286862	555060509	/nfs/dbraw/zinc/06/05/09/555060509.db2.gz	AKOZZOGJIMQJRC-TYZOXTDXSA-N	1	1	462.462	2.343	50	5		JEBAMO
O=[N+]([O-])c1c2nonc2c(NCCCN2CC[NH+](Cc3ccccc3)CC2)cc1NCCO	ZINC000020108077	555642496	/nfs/dbraw/zinc/64/24/96/555642496.db2.gz	VXVABKFZYAAQPU-UHFFFAOYSA-N	1	1	455.519	2.155	50	5		JEBAMO
O=C([C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000025329620	556208947	/nfs/dbraw/zinc/20/89/47/556208947.db2.gz	WTFDYSRCRZLZBK-HXUWFJFHSA-N	1	1	472.567	2.340	50	5		JEBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O	ZINC000248340204	570078086	/nfs/dbraw/zinc/07/80/86/570078086.db2.gz	UKIMYBMMSAINOY-CDNOPDGFSA-N	1	1	462.462	2.343	50	5		JEBAMO
COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCCC[NH+]2CCOCC2)cc1	ZINC000016790626	523618148	/nfs/dbraw/zinc/61/81/48/523618148.db2.gz	MTGLARKACYCRHA-XLNRJJMWSA-N	1	1	468.510	2.213	50	5		JEBAMO
Cn1c(CC[NH+]2CCN(C)CC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	ZINC000009013774	554865192	/nfs/dbraw/zinc/86/51/92/554865192.db2.gz	WZTYNSZXGFOPLK-UHFFFAOYSA-N	1	1	452.515	2.289	50	5		JEBAMO
Cc1c(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cccc1[N+](=O)[O-]	ZINC000032903061	556529841	/nfs/dbraw/zinc/52/98/41/556529841.db2.gz	WAJCTQUPOWDSLV-NRFANRHFSA-N	1	1	454.483	2.216	50	5		JEBAMO
C[C@@H](NC(=O)c1cc2c(nc3ccccn3c2=O)n(CCC[NH+]2CCOCC2)c1=N)c1ccccc1	ZINC000008433220	569589525	/nfs/dbraw/zinc/58/95/25/569589525.db2.gz	ZOALHSBJALBQRP-LJQANCHMSA-N	1	1	486.576	2.342	50	5		JEBAMO
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12)N1CCOCC1	ZINC000169677266	569868541	/nfs/dbraw/zinc/86/85/41/569868541.db2.gz	PDRLGCCGABIKKU-VWNXMTODSA-N	1	1	466.538	2.196	50	5		JEBAMO
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccccc4)C[C@H]32)C1=O	ZINC000230039214	570043930	/nfs/dbraw/zinc/04/39/30/570043930.db2.gz	ZNBNXIPIZWJYMP-SQJMNOBHSA-N	1	1	477.521	2.317	50	5		JEBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O	ZINC000248134604	570075176	/nfs/dbraw/zinc/07/51/76/570075176.db2.gz	YXHHOQGOVZDCFY-OSJYTEGDSA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O	ZINC000248134604	570075178	/nfs/dbraw/zinc/07/51/78/570075178.db2.gz	YXHHOQGOVZDCFY-OSJYTEGDSA-N	1	1	450.426	2.474	50	5		JEBAMO
COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC	ZINC000033332339	521922975	/nfs/dbraw/zinc/92/29/75/521922975.db2.gz	KBVZVLBSXYENLX-QGOAFFKASA-N	1	1	454.483	2.157	50	5		JEBAMO
O=C(CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCCC2)Nc1cccc([N+](=O)[O-])c1	ZINC000022909266	555967190	/nfs/dbraw/zinc/96/71/90/555967190.db2.gz	ITWRNPXYVVAFBF-UHFFFAOYSA-N	1	1	487.582	2.483	50	5		JEBAMO
COc1ccc(/C=C(\NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NCCC[NH+]2CCOCC2)cc1	ZINC000019706701	556360732	/nfs/dbraw/zinc/36/07/32/556360732.db2.gz	YDEUUGUBAVCAJO-XLNRJJMWSA-N	1	1	468.510	2.213	50	5		JEBAMO
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12)N1CCOCC1	ZINC000104915718	569846963	/nfs/dbraw/zinc/84/69/63/569846963.db2.gz	PDRLGCCGABIKKU-LADGPHEKSA-N	1	1	466.538	2.196	50	5		JEBAMO
O=C(NCCC[NH+]1CCOCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@H]12	ZINC000104920212	569847421	/nfs/dbraw/zinc/84/74/21/569847421.db2.gz	LGHGKUKMMQNBHB-UKILVPOCSA-N	1	1	497.571	2.440	50	5		JEBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O	ZINC000248133456	570075183	/nfs/dbraw/zinc/07/51/83/570075183.db2.gz	YDSDGRPYRSJFHX-LVBDUCALSA-N	1	1	450.426	2.474	50	5		JEBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O	ZINC000248133456	570075184	/nfs/dbraw/zinc/07/51/84/570075184.db2.gz	YDSDGRPYRSJFHX-LVBDUCALSA-N	1	1	450.426	2.474	50	5		JEBAMO