smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2c3c(c4n2CCO[C@H]4c2cc([N+](=O)[O-])ccc2[O-])n(C)c(=O)n(C)c3=O)cc1	ZINC000020890395	195236953	/nfs/dbraw/zinc/23/69/53/195236953.db2.gz	LPEPRXIBYCFFSB-QFIPXVFZSA-N	-1	0	478.461	2.448	50	5		JEBARM
CCOC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@H](c2cc([N+](=O)[O-])ccc2[O-])[C@H]1C(=O)OCC	ZINC000102864526	130336595	/nfs/dbraw/zinc/33/65/95/130336595.db2.gz	UJBMHTQZNUGEQA-YRGRVCCFSA-N	-1	0	454.482	2.399	50	5		JEBARM
CCC(=O)N[C@]([N-]c1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)(C(=O)OC)C(F)(F)F	ZINC000002050402	521193015	/nfs/dbraw/zinc/19/30/15/521193015.db2.gz	VYWVXPWBNRZHOT-HNNXBMFYSA-N	-1	0	496.445	2.254	50	5		JEBARM
CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c3ccccc3c(=O)oc2c1C)C(=O)[O-]	ZINC000002125411	554057980	/nfs/dbraw/zinc/05/79/80/554057980.db2.gz	FLVKNLJMPJFGOU-ZSEKCTLFSA-N	-1	0	454.479	2.365	50	5	biogenic	JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@@H]1c1ccccc1OC	ZINC000008400257	554575177	/nfs/dbraw/zinc/57/51/77/554575177.db2.gz	PHROBONFKUOKLK-VOMPUTFMSA-N	-1	0	495.513	2.421	50	5		JEBARM
CCOC(=O)c1ccc2nc3c(=O)[n-]c(=O)nc-3n(CCc3ccc(OC)c(OC)c3)c2c1	ZINC000008783564	554680269	/nfs/dbraw/zinc/68/02/69/554680269.db2.gz	IWJMNCANMKFONX-UHFFFAOYSA-N	-1	0	450.451	2.021	50	5	biogenic,in-vitro	JEBARM
CC(=O)N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1	ZINC000009097058	554895791	/nfs/dbraw/zinc/89/57/91/554895791.db2.gz	CAZIWCDLSZLRNP-UHFFFAOYSA-N	-1	0	466.903	2.353	50	5		JEBARM
COC(CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)[N-]C(=O)N(c1cc(C)cc(C)c1)C2=O)OC	ZINC000009216101	554984247	/nfs/dbraw/zinc/98/42/47/554984247.db2.gz	SOJWUHWEZAIKSK-DEOSSOPVSA-N	-1	0	482.493	2.462	50	5		JEBARM
COC(CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)[N-]C(=O)N(c1ccc(C)cc1)C2=O)OC	ZINC000009253736	555029033	/nfs/dbraw/zinc/02/90/33/555029033.db2.gz	LNLKLRGFUIVWEK-HSZRJFAPSA-N	-1	0	468.466	2.154	50	5		JEBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000035179208	569677505	/nfs/dbraw/zinc/67/75/05/569677505.db2.gz	NEFWYQFITPQLNE-UHFFFAOYSA-N	-1	0	484.494	2.275	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1	ZINC000016682345	520490224	/nfs/dbraw/zinc/49/02/24/520490224.db2.gz	YSLDMUPZTRZVBC-FJJYYWMZSA-N	-1	0	471.516	2.474	50	5		JEBARM
COc1cc([N-]S(=O)(=O)c2ccc(Nc3ccc4nonc4c3[N+](=O)[O-])cc2)nc(OC)n1	ZINC000022589874	522757492	/nfs/dbraw/zinc/75/74/92/522757492.db2.gz	RRYCQMQHEMQSHP-UHFFFAOYSA-N	-1	0	473.427	2.483	50	5		JEBARM
NC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000012374509	526973248	/nfs/dbraw/zinc/97/32/48/526973248.db2.gz	KVVYMIKSWPHUSH-CMILKDJGSA-N	-1	0	497.895	2.144	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000002139850	554063826	/nfs/dbraw/zinc/06/38/26/554063826.db2.gz	NDSSTYXKWDQIKJ-JKALPCAWSA-N	-1	0	495.513	2.421	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@H]1c1cccs1	ZINC000002697598	554292791	/nfs/dbraw/zinc/29/27/91/554292791.db2.gz	KAYLBSGSLYSCHM-FJJYYWMZSA-N	-1	0	471.516	2.474	50	5		JEBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000009123269	554914426	/nfs/dbraw/zinc/91/44/26/554914426.db2.gz	SWBRQCZOTHIJNB-DYESRHJHSA-N	-1	0	456.842	2.279	50	5		JEBARM
O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000009123271	554914433	/nfs/dbraw/zinc/91/44/33/554914433.db2.gz	SWBRQCZOTHIJNB-UTKZUKDTSA-N	-1	0	456.842	2.279	50	5		JEBARM
COc1cc2c(cc1OC)C(C[C@H](c1ccccc1[N+](=O)[O-])c1c([O-])n(C)c(=O)n(C)c1=O)=NCC2	ZINC000009331159	555101129	/nfs/dbraw/zinc/10/11/29/555101129.db2.gz	ULJTTXQHUDMHBD-QGZVFWFLSA-N	-1	0	494.504	2.282	50	5		JEBARM
COC(CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)[N-]C(=O)N(c1cccc(C)c1C)C2=O)OC	ZINC000009433809	555204060	/nfs/dbraw/zinc/20/40/60/555204060.db2.gz	UBVRBNYYIXMABU-XMMPIXPASA-N	-1	0	482.493	2.462	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC	ZINC000013154513	555360281	/nfs/dbraw/zinc/36/02/81/555360281.db2.gz	FIDCXUJDBRDPRI-JCAJYURWSA-N	-1	0	495.513	2.421	50	5		JEBARM
COC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@@H]1c1ccccc1	ZINC000017243156	556243992	/nfs/dbraw/zinc/24/39/92/556243992.db2.gz	UOORXCGPQRPNKZ-GTENMVSRSA-N	-1	0	451.460	2.022	50	5		JEBARM
Cc1ccc([O-])c(C(=O)c2cnn(-c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])c2)c1	ZINC000008692697	562954402	/nfs/dbraw/zinc/95/44/02/562954402.db2.gz	XBQABDFUGMHWGM-UHFFFAOYSA-N	-1	0	472.479	2.046	50	5		JEBARM
Cc1[n-]n(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(=O)c1C(=O)C(=O)Nc1cccc(C)c1C	ZINC000104161696	569842250	/nfs/dbraw/zinc/84/22/50/569842250.db2.gz	KMODGUZTVQRNFI-QGZVFWFLSA-N	-1	0	467.394	2.302	50	5		JEBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000247427160	570068187	/nfs/dbraw/zinc/06/81/87/570068187.db2.gz	SWBRQCZOTHIJNB-LAUBAEHRSA-N	-1	0	456.842	2.279	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@H]1c1ccccc1	ZINC000252669983	570091790	/nfs/dbraw/zinc/09/17/90/570091790.db2.gz	JFHMKKLQAZOWCP-IBGZPJMESA-N	-1	0	465.487	2.412	50	5		JEBARM
O=C(COC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)[N-]C(=O)c1cccc([N+](=O)[O-])c1	ZINC000003378917	194308867	/nfs/dbraw/zinc/30/88/67/194308867.db2.gz	MFXWUADHJWZHLS-HTAPYJJXSA-N	-1	0	487.465	2.124	50	5		JEBARM
COC(CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)[N-]C(=O)N(c1ccc(C)cc1C)C2=O)OC	ZINC000009488034	522533284	/nfs/dbraw/zinc/53/32/84/522533284.db2.gz	IVGIWPGRWSVHLN-XMMPIXPASA-N	-1	0	482.493	2.462	50	5		JEBARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3nn(CC)cc3[N+](=O)[O-])cc2)s1	ZINC000002764687	554333383	/nfs/dbraw/zinc/33/33/83/554333383.db2.gz	QFISKFOPYLSYLP-UHFFFAOYSA-N	-1	0	451.490	2.278	50	5		JEBARM
COc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCC1	ZINC000009493112	555274364	/nfs/dbraw/zinc/27/43/64/555274364.db2.gz	ZVFGASGCBDHZTF-UHFFFAOYSA-N	-1	0	471.513	2.284	50	5		JEBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)NCCCN2CCCC2=O)c1	ZINC000009546193	555340718	/nfs/dbraw/zinc/34/07/18/555340718.db2.gz	IPYBWUIBQXHMAH-UHFFFAOYSA-N	-1	0	476.511	2.147	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@@H]1c1cccs1	ZINC000022242012	555895759	/nfs/dbraw/zinc/89/57/59/555895759.db2.gz	QEMGCKSCVMLZNJ-IUYQLWOBSA-N	-1	0	471.516	2.474	50	5		JEBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000012531028	556000966	/nfs/dbraw/zinc/00/09/66/556000966.db2.gz	ZLRKPOTVTVVHFE-UHFFFAOYSA-N	-1	0	461.905	2.070	50	5		JEBARM
C[C@@H](NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(Br)o1)C(=O)[O-]	ZINC000017143528	556225081	/nfs/dbraw/zinc/22/50/81/556225081.db2.gz	LLTZBKNMLNPHON-ZPBHHCQCSA-N	-1	0	452.217	2.311	50	5		JEBARM
COc1ccc(-c2c3c(c4n2CCO[C@@H]4c2cc([N+](=O)[O-])ccc2[O-])n(C)c(=O)n(C)c3=O)cc1	ZINC000096523157	569740817	/nfs/dbraw/zinc/74/08/17/569740817.db2.gz	LPEPRXIBYCFFSB-JOCHJYFZSA-N	-1	0	478.461	2.448	50	5		JEBARM
O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000230046911	570044090	/nfs/dbraw/zinc/04/40/90/570044090.db2.gz	SWBRQCZOTHIJNB-UWJYYQICSA-N	-1	0	456.842	2.279	50	5		JEBARM
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@H]2[C@H](C)O1	ZINC000248016997	570072907	/nfs/dbraw/zinc/07/29/07/570072907.db2.gz	KUOCMCREKMYJIL-TXVUGPKNSA-N	-1	0	450.451	2.403	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@@H]1c1cccs1	ZINC000252670271	570092069	/nfs/dbraw/zinc/09/20/69/570092069.db2.gz	KAYLBSGSLYSCHM-GOSISDBHSA-N	-1	0	471.516	2.474	50	5		JEBARM
O=C(COC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)[N-]C(=O)c1cccc([N+](=O)[O-])c1	ZINC000003378921	194308818	/nfs/dbraw/zinc/30/88/18/194308818.db2.gz	MFXWUADHJWZHLS-JTSKRJEESA-N	-1	0	487.465	2.124	50	5		JEBARM
O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(NNC(=S)NC[C@H]2CCCO2)c([N+](=O)[O-])c1	ZINC000009631562	194829372	/nfs/dbraw/zinc/82/93/72/194829372.db2.gz	DQRVVVNHKFTPEU-GFCCVEGCSA-N	-1	0	495.539	2.064	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000008400277	554575220	/nfs/dbraw/zinc/57/52/20/554575220.db2.gz	NDSSTYXKWDQIKJ-YWFITGJYSA-N	-1	0	495.513	2.421	50	5		JEBARM
COC(CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)[N-]C(=O)N(c1cccc(C)c1C)C2=O)OC	ZINC000009433810	555204069	/nfs/dbraw/zinc/20/40/69/555204069.db2.gz	UBVRBNYYIXMABU-DEOSSOPVSA-N	-1	0	482.493	2.462	50	5		JEBARM
COC(CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)[N-]C(=O)N(c1ccc(Cl)cc1)C2=O)OC	ZINC000009451213	555223729	/nfs/dbraw/zinc/22/37/29/555223729.db2.gz	OVICNQIKCAQRQL-QFIPXVFZSA-N	-1	0	488.884	2.499	50	5		JEBARM
O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(NNC(=S)NC2CC2)c([N+](=O)[O-])c1	ZINC000009631549	555460513	/nfs/dbraw/zinc/46/05/13/555460513.db2.gz	LXUUZEMKHMBUAS-UHFFFAOYSA-N	-1	0	451.486	2.047	50	5		JEBARM
COc1cc2c(cc1OC)C(C[C@@H](c1ccccc1[N+](=O)[O-])c1c([O-])n(C)c(=O)n(C)c1=O)=NCC2	ZINC000013540783	555488975	/nfs/dbraw/zinc/48/89/75/555488975.db2.gz	ULJTTXQHUDMHBD-KRWDZBQOSA-N	-1	0	494.504	2.282	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@H]1c1cccs1	ZINC000017296822	556251664	/nfs/dbraw/zinc/25/16/64/556251664.db2.gz	KAYLBSGSLYSCHM-BXBHGGAKSA-N	-1	0	471.516	2.474	50	5		JEBARM
CC(C)(CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCOCC1	ZINC000017854384	556269097	/nfs/dbraw/zinc/26/90/97/556269097.db2.gz	YFNAGCGTKRBULS-UHFFFAOYSA-N	-1	0	462.528	2.236	50	5		JEBARM
Cc1ccc(S(=O)(=O)n2cnc(C[C@H](NSc3ncccc3[N+](=O)[O-])C(=O)[O-])c2)cc1	ZINC000028631501	556338324	/nfs/dbraw/zinc/33/83/24/556338324.db2.gz	HREPATZNEVVIAA-HNNXBMFYSA-N	-1	0	463.497	2.024	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000059418497	569603397	/nfs/dbraw/zinc/60/33/97/569603397.db2.gz	IFIHJFIFXHOXAH-JCAJYURWSA-N	-1	0	495.513	2.421	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000252671281	570092460	/nfs/dbraw/zinc/09/24/60/570092460.db2.gz	NDSSTYXKWDQIKJ-HXUWFJFHSA-N	-1	0	495.513	2.421	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000002139845	554063872	/nfs/dbraw/zinc/06/38/72/554063872.db2.gz	NDSSTYXKWDQIKJ-SQWSFHKJSA-N	-1	0	495.513	2.421	50	5		JEBARM
CS(=O)(=O)c1ccc(S([O-])=CC(=O)Oc2ccc(Br)cc2)c([N+](=O)[O-])c1	ZINC000006274905	554523894	/nfs/dbraw/zinc/52/38/94/554523894.db2.gz	QVBVXPYJZJASEJ-RUZDIDTESA-N	-1	0	462.299	2.474	50	5		JEBARM
CSCC[C@@H](NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000013544794	555489772	/nfs/dbraw/zinc/48/97/72/555489772.db2.gz	DLIQXUZVQZDIAU-KGTJKXQDSA-N	-1	0	487.490	2.417	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([O-])c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000015938987	556075237	/nfs/dbraw/zinc/07/52/37/556075237.db2.gz	PYAKHLHQUKLGAW-PRWBYUBPSA-N	-1	0	495.513	2.421	50	5		JEBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C(N2CCOCC2)N2CCOCC2)cc1	ZINC000034000480	569639452	/nfs/dbraw/zinc/63/94/52/569639452.db2.gz	UBDIJLLKPLFKJF-UHFFFAOYSA-N	-1	0	476.555	2.367	50	5		JEBARM
COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000035979679	569741633	/nfs/dbraw/zinc/74/16/33/569741633.db2.gz	HLCJFCHNLMPSTF-QGZVFWFLSA-N	-1	0	453.415	2.232	50	5		JEBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1ccccc1[N+](=O)[O-]	ZINC000100961904	569777975	/nfs/dbraw/zinc/77/79/75/569777975.db2.gz	JLRZGEQAKHTQHR-HZPDHXFCSA-N	-1	0	473.243	2.289	50	5		JEBARM
O=C(COC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)[N-]C(=O)c1cccc([N+](=O)[O-])c1	ZINC000003378918	194308923	/nfs/dbraw/zinc/30/89/23/194308923.db2.gz	MFXWUADHJWZHLS-VGSWGCGISA-N	-1	0	487.465	2.124	50	5		JEBARM
COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000036352293	524587215	/nfs/dbraw/zinc/58/72/15/524587215.db2.gz	HLCJFCHNLMPSTF-KRWDZBQOSA-N	-1	0	453.415	2.232	50	5		JEBARM
C[C@H](NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(Br)o1)C(=O)[O-]	ZINC000033437565	524872389	/nfs/dbraw/zinc/87/23/89/524872389.db2.gz	LLTZBKNMLNPHON-KWINOFQJSA-N	-1	0	452.217	2.311	50	5		JEBARM
O=C(CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000008662206	526561619	/nfs/dbraw/zinc/56/16/19/526561619.db2.gz	FICMTSNJFLMXEZ-IBGZPJMESA-N	-1	0	478.534	2.392	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000008400254	554575278	/nfs/dbraw/zinc/57/52/78/554575278.db2.gz	ZFHSNOVOCBTEKO-YWFITGJYSA-N	-1	0	495.513	2.421	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000008400276	554575298	/nfs/dbraw/zinc/57/52/98/554575298.db2.gz	NDSSTYXKWDQIKJ-VOMPUTFMSA-N	-1	0	495.513	2.421	50	5		JEBARM
C[C@H](NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(Br)o1)C(=O)[O-]	ZINC000017143530	556225086	/nfs/dbraw/zinc/22/50/86/556225086.db2.gz	LLTZBKNMLNPHON-RILYUOAZSA-N	-1	0	452.217	2.311	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@@H]1c1cccs1	ZINC000017296820	556251685	/nfs/dbraw/zinc/25/16/85/556251685.db2.gz	KAYLBSGSLYSCHM-GANRHZMWSA-N	-1	0	471.516	2.474	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@H]1c1ccccc1OC	ZINC000252672126	570092769	/nfs/dbraw/zinc/09/27/69/570092769.db2.gz	PHROBONFKUOKLK-FQEVSTJZSA-N	-1	0	495.513	2.421	50	5		JEBARM
O=C([O-])CNC(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccco2)cc1	ZINC000002821286	194166029	/nfs/dbraw/zinc/16/60/29/194166029.db2.gz	MSUUTKGAIFUMDE-PDGQHHTCSA-N	-1	0	478.417	2.412	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@H]1c1ccccc1	ZINC000008400268	194441779	/nfs/dbraw/zinc/44/17/79/194441779.db2.gz	JFHMKKLQAZOWCP-WPNIOXTASA-N	-1	0	465.487	2.412	50	5		JEBARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)nc(OC)n1	ZINC000009668156	555382111	/nfs/dbraw/zinc/38/21/11/555382111.db2.gz	HUYOKOMAZNWTPP-UHFFFAOYSA-N	-1	0	489.466	2.220	50	5		JEBARM
O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(NNC(=S)NC[C@@H]2CCCO2)c([N+](=O)[O-])c1	ZINC000009631561	555460502	/nfs/dbraw/zinc/46/05/02/555460502.db2.gz	DQRVVVNHKFTPEU-LBPRGKRZSA-N	-1	0	495.539	2.064	50	5		JEBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C(=O)NC(N)=O)C(C)C	ZINC000009112526	554899918	/nfs/dbraw/zinc/89/99/18/554899918.db2.gz	BLPXKMLASWMLER-KRWDZBQOSA-N	-1	0	478.483	2.080	50	5		JEBARM
C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)NC[C@@H]1CCCO1	ZINC000009493733	555276339	/nfs/dbraw/zinc/27/63/39/555276339.db2.gz	AHJDWCACIMMABG-KSSFIOAISA-N	-1	0	477.495	2.236	50	5		JEBARM
NS(=O)(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000009562414	555363191	/nfs/dbraw/zinc/36/31/91/555363191.db2.gz	IEWLGTZUTUKRBQ-UHFFFAOYSA-N	-1	0	476.492	2.295	50	5		JEBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1ccccc1[N+](=O)[O-]	ZINC000100961903	569777943	/nfs/dbraw/zinc/77/79/43/569777943.db2.gz	JLRZGEQAKHTQHR-HOTGVXAUSA-N	-1	0	473.243	2.289	50	5		JEBARM
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@H]2[C@@H](C)O1	ZINC000248017003	570072863	/nfs/dbraw/zinc/07/28/63/570072863.db2.gz	KUOCMCREKMYJIL-UOPMXTKVSA-N	-1	0	450.451	2.403	50	5		JEBARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000003886161	194366614	/nfs/dbraw/zinc/36/66/14/194366614.db2.gz	OSRAXIOMKBPXNK-IBGZPJMESA-N	-1	0	474.495	2.205	50	5		JEBARM
Cc1ccc([O-])c(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)c2)c1	ZINC000009716316	194915164	/nfs/dbraw/zinc/91/51/64/194915164.db2.gz	INFGZBLNRMQBEC-UHFFFAOYSA-N	-1	0	472.479	2.046	50	5		JEBARM
O=C(CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000008662205	526574491	/nfs/dbraw/zinc/57/44/91/526574491.db2.gz	FICMTSNJFLMXEZ-LJQANCHMSA-N	-1	0	478.534	2.392	50	5		JEBARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)nc(OC)n1	ZINC000002026562	554009206	/nfs/dbraw/zinc/00/92/06/554009206.db2.gz	DYKGEWLZIRJLGI-UHFFFAOYSA-N	-1	0	459.440	2.455	50	5		JEBARM
O=C(c1cnn(-c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1)c1cc(Cl)ccc1[O-]	ZINC000009128165	554924583	/nfs/dbraw/zinc/92/45/83/554924583.db2.gz	JJYNFDNGCXPSAI-UHFFFAOYSA-N	-1	0	492.897	2.391	50	5		JEBARM
COC(CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)[N-]C(=O)N(c1cc(C)cc(C)c1)C2=O)OC	ZINC000009216099	554984153	/nfs/dbraw/zinc/98/41/53/554984153.db2.gz	SOJWUHWEZAIKSK-XMMPIXPASA-N	-1	0	482.493	2.462	50	5		JEBARM
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@@H]2[C@H](C)O1	ZINC000009236651	555010654	/nfs/dbraw/zinc/01/06/54/555010654.db2.gz	KUOCMCREKMYJIL-PEYHYLNSSA-N	-1	0	450.451	2.403	50	5		JEBARM
CC(C)[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)C(=O)NC(N)=O	ZINC000009283171	555053842	/nfs/dbraw/zinc/05/38/42/555053842.db2.gz	XHRGBXWLDJKHER-INIZCTEOSA-N	-1	0	498.901	2.425	50	5		JEBARM
CC(C)[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)C(=O)NC(N)=O	ZINC000009283172	555053910	/nfs/dbraw/zinc/05/39/10/555053910.db2.gz	XHRGBXWLDJKHER-MRXNPFEDSA-N	-1	0	498.901	2.425	50	5		JEBARM
C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)NC[C@H]1CCCO1	ZINC000009493735	555276387	/nfs/dbraw/zinc/27/63/87/555276387.db2.gz	AHJDWCACIMMABG-KBXCAEBGSA-N	-1	0	477.495	2.236	50	5		JEBARM
C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)NC[C@H]1CCCO1	ZINC000009493907	555277015	/nfs/dbraw/zinc/27/70/15/555277015.db2.gz	AHJDWCACIMMABG-RDTXWAMCSA-N	-1	0	477.495	2.236	50	5		JEBARM
COC(CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)[N-]C(=O)N(c1ccc(C)cc1C)C2=O)OC	ZINC000009580724	555386517	/nfs/dbraw/zinc/38/65/17/555386517.db2.gz	IVGIWPGRWSVHLN-DEOSSOPVSA-N	-1	0	482.493	2.462	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@H]1c1ccccc1	ZINC000017296818	556251785	/nfs/dbraw/zinc/25/17/85/556251785.db2.gz	UHQWTQXDPCQBGP-YWFITGJYSA-N	-1	0	465.487	2.412	50	5		JEBARM
COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCC[C@H]43)C2=O)cc1OC	ZINC000229900952	570041913	/nfs/dbraw/zinc/04/19/13/570041913.db2.gz	XXMOFHNHUMANIH-SQJMNOBHSA-N	-1	0	494.504	2.444	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000252671279	570092418	/nfs/dbraw/zinc/09/24/18/570092418.db2.gz	NDSSTYXKWDQIKJ-FQEVSTJZSA-N	-1	0	495.513	2.421	50	5		JEBARM
COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c([N+](=O)[O-])cc1OC	ZINC000002989184	194195967	/nfs/dbraw/zinc/19/59/67/194195967.db2.gz	DFABUFSOETYUEF-UHFFFAOYSA-N	-1	0	459.440	2.455	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC	ZINC000013154511	520490158	/nfs/dbraw/zinc/49/01/58/520490158.db2.gz	FIDCXUJDBRDPRI-JAORQVBISA-N	-1	0	495.513	2.421	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1	ZINC000016682344	520490175	/nfs/dbraw/zinc/49/01/75/520490175.db2.gz	YSLDMUPZTRZVBC-CFINBHSISA-N	-1	0	471.516	2.474	50	5		JEBARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)nc(OC)n1	ZINC000002134753	554061526	/nfs/dbraw/zinc/06/15/26/554061526.db2.gz	IHGOIHHXMULYNS-UHFFFAOYSA-N	-1	0	489.466	2.220	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000008400249	554575210	/nfs/dbraw/zinc/57/52/10/554575210.db2.gz	ZFHSNOVOCBTEKO-VOMPUTFMSA-N	-1	0	495.513	2.421	50	5		JEBARM
O=C([O-])CCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)o1	ZINC000008738728	554640326	/nfs/dbraw/zinc/64/03/26/554640326.db2.gz	LMYGSYGXSHSMJK-FMIVXFBMSA-N	-1	0	452.217	2.312	50	5		JEBARM
COC(CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)[N-]C(=O)N(c1ccc(C)cc1)C2=O)OC	ZINC000009253739	555029059	/nfs/dbraw/zinc/02/90/59/555029059.db2.gz	LNLKLRGFUIVWEK-QHCPKHFHSA-N	-1	0	468.466	2.154	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@H]1c1cccs1	ZINC000022242015	555895733	/nfs/dbraw/zinc/89/57/33/555895733.db2.gz	QEMGCKSCVMLZNJ-OBHPCNEJSA-N	-1	0	471.516	2.474	50	5		JEBARM
COC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@H]1c1ccccc1	ZINC000017243161	556243934	/nfs/dbraw/zinc/24/39/34/556243934.db2.gz	UOORXCGPQRPNKZ-OXRZLYTFSA-N	-1	0	451.460	2.022	50	5		JEBARM
Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](NSc3ncccc3[N+](=O)[O-])C(=O)[O-])c2)cc1	ZINC000028631498	556338175	/nfs/dbraw/zinc/33/81/75/556338175.db2.gz	HREPATZNEVVIAA-OAHLLOKOSA-N	-1	0	463.497	2.024	50	5		JEBARM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	ZINC000004022970	194370556	/nfs/dbraw/zinc/37/05/56/194370556.db2.gz	JWXOBDFXTSOVES-UHFFFAOYSA-N	-1	0	461.905	2.070	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@@H]1c1ccccc1	ZINC000008400264	554575236	/nfs/dbraw/zinc/57/52/36/554575236.db2.gz	JFHMKKLQAZOWCP-XYSGSMRZSA-N	-1	0	465.487	2.412	50	5		JEBARM
COC(CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)[N-]C(=O)N(c1ccc(Cl)cc1)C2=O)OC	ZINC000009451219	555223677	/nfs/dbraw/zinc/22/36/77/555223677.db2.gz	OVICNQIKCAQRQL-JOCHJYFZSA-N	-1	0	488.884	2.499	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([O-])c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1	ZINC000015938991	556075533	/nfs/dbraw/zinc/07/55/33/556075533.db2.gz	HBZKSFLMPWSZQV-VOMPUTFMSA-N	-1	0	465.487	2.412	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@H]1c1cccs1	ZINC000252670272	570092090	/nfs/dbraw/zinc/09/20/90/570092090.db2.gz	KAYLBSGSLYSCHM-SFHVURJKSA-N	-1	0	471.516	2.474	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000252677584	570093905	/nfs/dbraw/zinc/09/39/05/570093905.db2.gz	ZFHSNOVOCBTEKO-FQEVSTJZSA-N	-1	0	495.513	2.421	50	5		JEBARM
O=C(COC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)[N-]C(=O)c1cccc([N+](=O)[O-])c1	ZINC000003378914	194308789	/nfs/dbraw/zinc/30/87/89/194308789.db2.gz	MFXWUADHJWZHLS-VGOFRKELSA-N	-1	0	487.465	2.124	50	5		JEBARM
COc1cc2c(cc1OC)C(C[C@H](c1ccccc1[N+](=O)[O-])c1c([O-])[nH]c(=O)[nH]c1=O)=NCC2	ZINC000004648392	194393502	/nfs/dbraw/zinc/39/35/02/194393502.db2.gz	FBNPRSCBVQHWAQ-OAHLLOKOSA-N	-1	0	466.450	2.262	50	5		JEBARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)nc(OC)n1	ZINC000002132551	554060948	/nfs/dbraw/zinc/06/09/48/554060948.db2.gz	ZEJYHTIMXYMBFJ-UHFFFAOYSA-N	-1	0	459.440	2.455	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@H]1c1ccccc1	ZINC000002139822	554063809	/nfs/dbraw/zinc/06/38/09/554063809.db2.gz	JFHMKKLQAZOWCP-GTVARFKMSA-N	-1	0	465.487	2.412	50	5		JEBARM
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000002654494	554270344	/nfs/dbraw/zinc/27/03/44/554270344.db2.gz	KBWYKVRMPGLYON-UHFFFAOYSA-N	-1	0	487.475	2.087	50	5		JEBARM
O=[N+]([O-])c1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(CCO)CC2)cc1	ZINC000022852304	555959494	/nfs/dbraw/zinc/95/94/94/555959494.db2.gz	XZNDYMMMXJRRQZ-KRWDZBQOSA-N	-1	0	470.511	2.364	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([O-])c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1	ZINC000015938993	556075697	/nfs/dbraw/zinc/07/56/97/556075697.db2.gz	HBZKSFLMPWSZQV-YWFITGJYSA-N	-1	0	465.487	2.412	50	5		JEBARM
O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000019799489	556376592	/nfs/dbraw/zinc/37/65/92/556376592.db2.gz	HJMFNYHJPZYNLB-UHFFFAOYSA-N	-1	0	470.511	2.444	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000059418496	569603340	/nfs/dbraw/zinc/60/33/40/569603340.db2.gz	IFIHJFIFXHOXAH-JAORQVBISA-N	-1	0	495.513	2.421	50	5		JEBARM
COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCC[C@H]43)C2=O)cc1OC	ZINC000229900944	570042061	/nfs/dbraw/zinc/04/20/61/570042061.db2.gz	XXMOFHNHUMANIH-OFVILXPXSA-N	-1	0	494.504	2.444	50	5		JEBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)Nc2nc[nH]n2)ccc1Cl	ZINC000003231052	194245819	/nfs/dbraw/zinc/24/58/19/194245819.db2.gz	IYTJVLFXNOKOQF-UHFFFAOYSA-N	-1	0	452.836	2.428	50	5		JEBARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000003886162	194366646	/nfs/dbraw/zinc/36/66/46/194366646.db2.gz	OSRAXIOMKBPXNK-LJQANCHMSA-N	-1	0	474.495	2.205	50	5		JEBARM
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000058007137	195361863	/nfs/dbraw/zinc/36/18/63/195361863.db2.gz	XOGWKYAFCXXTCI-UHFFFAOYSA-N	-1	0	465.440	2.002	50	5		JEBARM
C[C@@H](NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(Br)o1)C(=O)[O-]	ZINC000033437564	525037191	/nfs/dbraw/zinc/03/71/91/525037191.db2.gz	LLTZBKNMLNPHON-YXYQAXARSA-N	-1	0	452.217	2.311	50	5		JEBARM
NC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000012374508	526972580	/nfs/dbraw/zinc/97/25/80/526972580.db2.gz	KVVYMIKSWPHUSH-CZCWKNBQSA-N	-1	0	497.895	2.144	50	5		JEBARM
CSCC[C@H](NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000013544796	555489799	/nfs/dbraw/zinc/48/97/99/555489799.db2.gz	DLIQXUZVQZDIAU-SLHXSTLSSA-N	-1	0	487.490	2.417	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c([O-])c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccco1	ZINC000013914405	555646426	/nfs/dbraw/zinc/64/64/26/555646426.db2.gz	LBVTXHVPRLZYTL-BXBHGGAKSA-N	-1	0	485.474	2.014	50	5		JEBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1ccccc1[N+](=O)[O-]	ZINC000010272368	555665916	/nfs/dbraw/zinc/66/59/16/555665916.db2.gz	JLRZGEQAKHTQHR-CVEARBPZSA-N	-1	0	473.243	2.289	50	5		JEBARM
O=[N+]([O-])c1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(CCO)CC2)cc1	ZINC000022852306	555959527	/nfs/dbraw/zinc/95/95/27/555959527.db2.gz	XZNDYMMMXJRRQZ-QGZVFWFLSA-N	-1	0	470.511	2.364	50	5		JEBARM
CCC(=O)N[C@@]([N-]c1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)(C(=O)OC)C(F)(F)F	ZINC000002050401	554010842	/nfs/dbraw/zinc/01/08/42/554010842.db2.gz	VYWVXPWBNRZHOT-OAHLLOKOSA-N	-1	0	496.445	2.254	50	5		JEBARM
CS(=O)(=O)c1ccc(S([O-])=CC(=O)Oc2ccc(Br)cc2)c([N+](=O)[O-])c1	ZINC000006274906	554523981	/nfs/dbraw/zinc/52/39/81/554523981.db2.gz	QVBVXPYJZJASEJ-VWLOTQADSA-N	-1	0	462.299	2.474	50	5		JEBARM
COc1cc2c(cc1OC)C(C[C@@H](c1ccccc1[N+](=O)[O-])c1c([O-])[nH]c(=O)[nH]c1=O)=NCC2	ZINC000009012284	554864552	/nfs/dbraw/zinc/86/45/52/554864552.db2.gz	FBNPRSCBVQHWAQ-HNNXBMFYSA-N	-1	0	466.450	2.262	50	5		JEBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C	ZINC000009112527	554899944	/nfs/dbraw/zinc/89/99/44/554899944.db2.gz	BLPXKMLASWMLER-QGZVFWFLSA-N	-1	0	478.483	2.080	50	5		JEBARM
C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)NC[C@@H]1CCCO1	ZINC000009493734	555276448	/nfs/dbraw/zinc/27/64/48/555276448.db2.gz	AHJDWCACIMMABG-KDOFPFPSSA-N	-1	0	477.495	2.236	50	5		JEBARM
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@@H]2[C@@H](C)O1	ZINC000102775102	569823590	/nfs/dbraw/zinc/82/35/90/569823590.db2.gz	KUOCMCREKMYJIL-WXVMNIFVSA-N	-1	0	450.451	2.403	50	5		JEBARM
Cc1[n-]n(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(=O)c1C(=O)C(=O)Nc1cccc(C)c1C	ZINC000104161693	569842252	/nfs/dbraw/zinc/84/22/52/569842252.db2.gz	KMODGUZTVQRNFI-KRWDZBQOSA-N	-1	0	467.394	2.302	50	5		JEBARM
COc1ccccc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C)C3=O)[C@@H]2C1	ZINC000227079101	570039871	/nfs/dbraw/zinc/03/98/71/570039871.db2.gz	DGLRVUMSDVUZHM-WMZHIEFXSA-N	-1	0	465.466	2.390	50	5		JEBARM
COc1cc(NS(=O)(=O)c2ccc([N-]c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)nc(OC)n1	ZINC000004417476	522756655	/nfs/dbraw/zinc/75/66/55/522756655.db2.gz	QIGXGHFLGZVQAO-UHFFFAOYSA-N	-1	0	477.415	2.250	50	5		JEBARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)nc(OC)n1	ZINC000002030810	554009818	/nfs/dbraw/zinc/00/98/18/554009818.db2.gz	DMZCXRMYFBBVCO-UHFFFAOYSA-N	-1	0	459.440	2.455	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@@H]1c1ccccc1	ZINC000002139825	554063880	/nfs/dbraw/zinc/06/38/80/554063880.db2.gz	JFHMKKLQAZOWCP-LYPXWFNGSA-N	-1	0	465.487	2.412	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@H]1c1ccccc1OC	ZINC000008400262	554575304	/nfs/dbraw/zinc/57/53/04/554575304.db2.gz	PHROBONFKUOKLK-YWFITGJYSA-N	-1	0	495.513	2.421	50	5		JEBARM
Cc1cc(C(=O)NC(=S)N[N-]S(=O)(=O)c2ccc(Br)cc2)ccc1[N+](=O)[O-]	ZINC000009373283	555134928	/nfs/dbraw/zinc/13/49/28/555134928.db2.gz	IGAGTZRYXPHJFP-UHFFFAOYSA-N	-1	0	473.330	2.164	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c([O-])c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccco1	ZINC000013914403	555646330	/nfs/dbraw/zinc/64/63/30/555646330.db2.gz	LBVTXHVPRLZYTL-GANRHZMWSA-N	-1	0	485.474	2.014	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@@H]1c1ccccc1	ZINC000017296816	556251755	/nfs/dbraw/zinc/25/17/55/556251755.db2.gz	UHQWTQXDPCQBGP-VOMPUTFMSA-N	-1	0	465.487	2.412	50	5		JEBARM
CCOC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H](c2cc([N+](=O)[O-])ccc2[O-])[C@H]1C(=O)OCC	ZINC000245241943	570058626	/nfs/dbraw/zinc/05/86/26/570058626.db2.gz	UJBMHTQZNUGEQA-OUCADQQQSA-N	-1	0	454.482	2.399	50	5		JEBARM
NC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1	ZINC000247712546	570069019	/nfs/dbraw/zinc/06/90/19/570069019.db2.gz	KVVYMIKSWPHUSH-VIQGIDMASA-N	-1	0	497.895	2.144	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@@H]1c1ccccc1OC	ZINC000252672127	570092794	/nfs/dbraw/zinc/09/27/94/570092794.db2.gz	PHROBONFKUOKLK-HXUWFJFHSA-N	-1	0	495.513	2.421	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@@H]1c1cccs1	ZINC000002697602	554292862	/nfs/dbraw/zinc/29/28/62/554292862.db2.gz	KAYLBSGSLYSCHM-CFINBHSISA-N	-1	0	471.516	2.474	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([O-])c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000015938989	556075323	/nfs/dbraw/zinc/07/53/23/556075323.db2.gz	PYAKHLHQUKLGAW-SRKIZSPNSA-N	-1	0	495.513	2.421	50	5		JEBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1ccccc1[N+](=O)[O-]	ZINC000100961901	569777903	/nfs/dbraw/zinc/77/79/03/569777903.db2.gz	JLRZGEQAKHTQHR-JKSUJKDBSA-N	-1	0	473.243	2.289	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@@H]1c1ccccc1	ZINC000252669984	570091845	/nfs/dbraw/zinc/09/18/45/570091845.db2.gz	JFHMKKLQAZOWCP-LJQANCHMSA-N	-1	0	465.487	2.412	50	5		JEBARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3[O-])c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000252677585	570093962	/nfs/dbraw/zinc/09/39/62/570093962.db2.gz	ZFHSNOVOCBTEKO-HXUWFJFHSA-N	-1	0	495.513	2.421	50	5		JEBARM