smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)[N-]C(=O)N(c1ccc(F)cc1)C2=O	ZINC000008974595	132299259	/nfs/dbraw/zinc/29/92/59/132299259.db2.gz	GTAWYQXMOVFEOI-XMSQKQJNSA-N	-1	0	440.431	4.005	50	5		IIBARM
CCOc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3cccc([N+](=O)[O-])c3)n2)cc1OC	ZINC000020492282	520808003	/nfs/dbraw/zinc/80/80/03/520808003.db2.gz	KGKCVMJYOFJRBI-UHFFFAOYSA-N	-1	0	434.408	4.306	50	5		IIBARM
C[C@@H]1CCCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)C1	ZINC000022852287	524246745	/nfs/dbraw/zinc/24/67/45/524246745.db2.gz	HULICWCIKLNCFS-DYVFJYSZSA-N	-1	0	439.497	4.486	50	5		IIBARM
Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C	ZINC000013137102	569311391	/nfs/dbraw/zinc/31/13/91/569311391.db2.gz	JDXYWQJIIIGSRJ-UHFFFAOYSA-N	-1	0	425.466	4.265	50	5		IIBARM
Cc1cc([N+](=O)[O-])nn1[C@H](C)c1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1	ZINC000002732706	569418976	/nfs/dbraw/zinc/41/89/76/569418976.db2.gz	CGQGXTYRZORXPW-GFCCVEGCSA-N	-1	0	444.908	4.202	50	5		IIBARM
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000003144895	569440837	/nfs/dbraw/zinc/44/08/37/569440837.db2.gz	TWHILJWAHSKUGX-UHFFFAOYSA-N	-1	0	440.433	4.451	50	5		IIBARM
CCCCn1nc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2cc3cccc(C)c3nc21	ZINC000009331417	569523098	/nfs/dbraw/zinc/52/30/98/569523098.db2.gz	FSGMCVYFDRGUPS-UHFFFAOYSA-N	-1	0	439.497	4.402	50	5		IIBARM
O=c1cc2oc3cc([O-])c(-c4ccc(O)cc4O)cc3nc-2cc1-c1ccc(O)cc1O	ZINC000004282770	555982878	/nfs/dbraw/zinc/98/28/78/555982878.db2.gz	VBELMRDAQMYTOU-UHFFFAOYSA-N	-1	0	429.384	4.155	50	5		IIBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)[nH]1	ZINC000032689375	556439022	/nfs/dbraw/zinc/43/90/22/556439022.db2.gz	KBIXDCSGKIOZKA-HJWRWDBZSA-N	-1	0	440.818	4.350	50	5		IIBARM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccccc1Cl	ZINC000100744979	556660517	/nfs/dbraw/zinc/66/05/17/556660517.db2.gz	ALTKAENICPQOPG-PZJWPPBQSA-N	-1	0	446.850	4.031	50	5		IIBARM
O=C(Nc1ccccc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1	ZINC000001196072	568736585	/nfs/dbraw/zinc/73/65/85/568736585.db2.gz	KUUPMDSFXHTNSJ-UHFFFAOYSA-N	-1	0	431.857	4.301	50	5		IIBARM
O=C([O-])[C@@H]1CS[C@H](c2ccccc2Cl)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000015303639	568755044	/nfs/dbraw/zinc/75/50/44/568755044.db2.gz	MDRVSRNVAYIPRD-GOEBONIOSA-N	-1	0	427.265	4.243	50	5		IIBARM
O=C([O-])[C@@H](Cc1ccccc1[N+](=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002244131	569213498	/nfs/dbraw/zinc/21/34/98/569213498.db2.gz	KVLRWXBYPKSBFY-OAQYLSRUSA-N	-1	0	432.432	4.129	50	5		IIBARM
O=C([N-]n1c(=O)c2ccccc2nc1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000027528048	569263457	/nfs/dbraw/zinc/26/34/57/569263457.db2.gz	BPWDFLZWHDVYCJ-UHFFFAOYSA-N	-1	0	438.802	4.148	50	5		IIBARM
O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002522584	569407267	/nfs/dbraw/zinc/40/72/67/569407267.db2.gz	RZRRJPNDKJOLHI-QFIPXVFZSA-N	-1	0	432.432	4.129	50	5		IIBARM
Cc1nn([C@@H](C)c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)cc1[N+](=O)[O-]	ZINC000002731620	569419546	/nfs/dbraw/zinc/41/95/46/569419546.db2.gz	SRZFAVIQPVJXND-LBPRGKRZSA-N	-1	0	444.908	4.202	50	5		IIBARM
Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000002805111	569422627	/nfs/dbraw/zinc/42/26/27/569422627.db2.gz	TXQKVARDPNOBGL-UHFFFAOYSA-N	-1	0	438.868	4.050	50	5		IIBARM
CCn1cc([N+](=O)[O-])c(-c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)n1	ZINC000002809337	569422915	/nfs/dbraw/zinc/42/29/15/569422915.db2.gz	XUSDCGOEOGVIGN-UHFFFAOYSA-N	-1	0	448.871	4.111	50	5		IIBARM
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000137834678	568893741	/nfs/dbraw/zinc/89/37/41/568893741.db2.gz	LRTXWKMPYITVEG-YTFSRNRJSA-N	-1	0	443.459	4.263	50	5		IIBARM
CCCn1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc3cc(C)ccc3nc21	ZINC000016975750	569168346	/nfs/dbraw/zinc/16/83/46/569168346.db2.gz	PEYYHROLOZDPAS-UHFFFAOYSA-N	-1	0	425.470	4.012	50	5		IIBARM
O=C([O-])c1ccc(N2C(=O)c3cccc4c(Br)c([N+](=O)[O-])cc(c43)C2=O)cc1	ZINC000095470786	569371680	/nfs/dbraw/zinc/37/16/80/569371680.db2.gz	ABEATHSMYWEUAV-UHFFFAOYSA-N	-1	0	441.193	4.009	50	5		IIBARM
CC(C)(c1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1)n1cc([N+](=O)[O-])cn1	ZINC000002731134	569419052	/nfs/dbraw/zinc/41/90/52/569419052.db2.gz	XDLVCVWQJNFSJD-UHFFFAOYSA-N	-1	0	444.908	4.068	50	5		IIBARM
O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000002751114	569420267	/nfs/dbraw/zinc/42/02/67/569420267.db2.gz	PRKQJZMYYXYJBS-QFIPXVFZSA-N	-1	0	440.415	4.433	50	5		IIBARM
O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC3	ZINC000023779179	526384951	/nfs/dbraw/zinc/38/49/51/526384951.db2.gz	BRQRJIZVOMPOEV-SDNWHVSQSA-N	-1	0	429.388	4.207	50	5		IIBARM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccccc1Cl	ZINC000100744977	556660159	/nfs/dbraw/zinc/66/01/59/556660159.db2.gz	ALTKAENICPQOPG-CTNGQTDRSA-N	-1	0	446.850	4.031	50	5		IIBARM
CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102756653	557384324	/nfs/dbraw/zinc/38/43/24/557384324.db2.gz	IYRZRYZMLBGFCS-DNVJHFABSA-N	-1	0	443.459	4.208	50	5		IIBARM
Cc1cc(I)ccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000003151760	569440966	/nfs/dbraw/zinc/44/09/66/569440966.db2.gz	RFVCTKCBUHUCBX-UHFFFAOYSA-N	-1	0	432.601	4.119	50	5		IIBARM
O=C([O-])C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Cl)cc1	ZINC000009060600	569499497	/nfs/dbraw/zinc/49/94/97/569499497.db2.gz	OLYOHABVKPJNFO-KRWDZBQOSA-N	-1	0	448.906	4.183	50	5		IIBARM
COc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)sc2C(=O)[O-])cc1OC	ZINC000009451134	569536320	/nfs/dbraw/zinc/53/63/20/569536320.db2.gz	MCFUWOOCHIXWQO-UHFFFAOYSA-N	-1	0	428.422	4.291	50	5		IIBARM
C[C@H]1CCCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)C1	ZINC000105735405	557510788	/nfs/dbraw/zinc/51/07/88/557510788.db2.gz	HULICWCIKLNCFS-SUMWQHHRSA-N	-1	0	439.497	4.486	50	5		IIBARM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2nc(C)cs2)c(F)c1	ZINC000328596174	569317827	/nfs/dbraw/zinc/31/78/27/569317827.db2.gz	VWRDXIZNCMUOBR-UHFFFAOYSA-N	-1	0	439.446	4.101	50	5		IIBARM
CCCc1oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2c1C(=O)OCC	ZINC000004008758	569457919	/nfs/dbraw/zinc/45/79/19/569457919.db2.gz	CSXFGWFCKSUFIB-UHFFFAOYSA-N	-1	0	432.454	4.271	50	5		IIBARM
COc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c([N+](=O)[O-])c1	ZINC000008628153	569469415	/nfs/dbraw/zinc/46/94/15/569469415.db2.gz	ZHPLVZXPXUFTDQ-UHFFFAOYSA-N	-1	0	444.309	4.442	50	5		IIBARM
CCCCn1nc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2cc3ccccc3nc21	ZINC000009329703	569522939	/nfs/dbraw/zinc/52/29/39/569522939.db2.gz	KGMSRHFPKNZKSB-UHFFFAOYSA-N	-1	0	425.470	4.094	50	5		IIBARM
CCCC[C@@H](CC)CNC(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000012467342	521033234	/nfs/dbraw/zinc/03/32/34/521033234.db2.gz	RUBGGORAFVZVBJ-FOIQADDNSA-N	-1	0	447.919	4.167	50	5		IIBARM
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)[N-]C(=O)N(c1ccc(F)cc1)C2=O	ZINC000008974596	535495931	/nfs/dbraw/zinc/49/59/31/535495931.db2.gz	GTAWYQXMOVFEOI-PGRDOPGGSA-N	-1	0	440.431	4.005	50	5		IIBARM
COc1ccc(CCn2c(=O)c3sc4ccc([N+](=O)[O-])cc4c3[n-]c2=S)cc1OC	ZINC000102724591	557369556	/nfs/dbraw/zinc/36/95/56/557369556.db2.gz	HDROLMPSZHFNDC-UHFFFAOYSA-N	-1	0	443.506	4.442	50	5		IIBARM
O=[N+]([O-])c1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)ccc1F	ZINC000006142871	568845628	/nfs/dbraw/zinc/84/56/28/568845628.db2.gz	DMTMHSVGPVLNGT-UHFFFAOYSA-N	-1	0	439.428	4.222	50	5		IIBARM
CCCC[C@@H](CC)CNC(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000009763139	569566586	/nfs/dbraw/zinc/56/65/86/569566586.db2.gz	RUBGGORAFVZVBJ-QRWLVFNGSA-N	-1	0	447.919	4.167	50	5		IIBARM
Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC000020035214	556969989	/nfs/dbraw/zinc/96/99/89/556969989.db2.gz	MIDBVJXSBWYOAV-STZFKDTASA-N	-1	0	445.431	4.011	50	5		IIBARM
O=C([N-]n1c(=O)c2ccccc2nc1C1CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000008683141	562961859	/nfs/dbraw/zinc/96/18/59/562961859.db2.gz	MTBJQRCBQJOBQD-UHFFFAOYSA-N	-1	0	426.860	4.390	50	5		IIBARM
Cc1c(S(=O)(=O)[N-]c2nc3ccc([N+](=O)[O-])cc3s2)cnn1-c1ccccc1Cl	ZINC000170617442	569147392	/nfs/dbraw/zinc/14/73/92/569147392.db2.gz	FHOUAUGHRSESSR-UHFFFAOYSA-N	-1	0	449.901	4.153	50	5		IIBARM
O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002745891	569420122	/nfs/dbraw/zinc/42/01/22/569420122.db2.gz	FAPWESYGTXHTQV-QFIPXVFZSA-N	-1	0	440.415	4.433	50	5		IIBARM
CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)cc2Cl	ZINC000008765708	569474248	/nfs/dbraw/zinc/47/42/48/569474248.db2.gz	WKEINBLLSIPADN-UHFFFAOYSA-N	-1	0	438.845	4.280	50	5		IIBARM
CCCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O	ZINC000245326443	569503396	/nfs/dbraw/zinc/50/33/96/569503396.db2.gz	KCDHUFGJZNDAAC-WMZHIEFXSA-N	-1	0	436.468	4.034	50	5		IIBARM
CCCCn1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc3ccccc3nc21	ZINC000009546071	569546186	/nfs/dbraw/zinc/54/61/86/569546186.db2.gz	HRMJFSDHGFZTOH-UHFFFAOYSA-N	-1	0	425.470	4.094	50	5		IIBARM
Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)c(C)c1	ZINC000008994198	132300041	/nfs/dbraw/zinc/30/00/41/132300041.db2.gz	FBUZACFTWAVIGW-HYBUGGRVSA-N	-1	0	448.479	4.236	50	5		IIBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)[nH]1	ZINC000009234957	569294659	/nfs/dbraw/zinc/29/46/59/569294659.db2.gz	SCZRPYDMSXQHON-GQCTYLIASA-N	-1	0	434.235	4.028	50	5		IIBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c(Cl)c1	ZINC000079108541	569326037	/nfs/dbraw/zinc/32/60/37/569326037.db2.gz	ZYLMVGBBJYFELN-UHFFFAOYSA-N	-1	0	431.282	4.221	50	5		IIBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(F)c2)c1	ZINC000008741094	569472833	/nfs/dbraw/zinc/47/28/33/569472833.db2.gz	GYPXPOPENSURJG-UHFFFAOYSA-N	-1	0	439.428	4.222	50	5		IIBARM
CCCn1nc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2cc3cccc(C)c3nc21	ZINC000009187811	569510449	/nfs/dbraw/zinc/51/04/49/569510449.db2.gz	XJJCKNNFVOSDHE-UHFFFAOYSA-N	-1	0	425.470	4.012	50	5		IIBARM
CCCCC[C@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000022512528	520302520	/nfs/dbraw/zinc/30/25/20/520302520.db2.gz	RVXFBIVEBMXHDY-INIZCTEOSA-N	-1	0	433.530	4.023	50	5		IIBARM
CCCCn1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc3cccc(C)c3nc21	ZINC000016995247	521397126	/nfs/dbraw/zinc/39/71/26/521397126.db2.gz	PBLXQHBIZXNHCR-UHFFFAOYSA-N	-1	0	439.497	4.402	50	5		IIBARM
O=C([O-])[C@H]1CS[C@H](c2ccccc2Cl)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000015303642	526332572	/nfs/dbraw/zinc/33/25/72/526332572.db2.gz	MDRVSRNVAYIPRD-GDBMZVCRSA-N	-1	0	427.265	4.243	50	5		IIBARM
O=C([O-])[C@H]1CS[C@@H](c2ccccc2Cl)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000015303637	526332821	/nfs/dbraw/zinc/33/28/21/526332821.db2.gz	MDRVSRNVAYIPRD-ZBFHGGJFSA-N	-1	0	427.265	4.243	50	5		IIBARM
O=c1c2c(oc3ccc(Cl)cc13)C([O-])=C(c1nncs1)C2c1ccc([N+](=O)[O-])cc1	ZINC000011614294	557210842	/nfs/dbraw/zinc/21/08/42/557210842.db2.gz	HQIKSAFJDLQLCK-GOEBONIOSA-N	-1	0	439.836	4.318	50	5		IIBARM
CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)cc3oc1c2-c1ccc(OCC(=O)[O-])cc1	ZINC000085878246	568838674	/nfs/dbraw/zinc/83/86/74/568838674.db2.gz	FAMLLIZNDYSRAP-UHFFFAOYSA-N	-1	0	433.420	4.041	50	5	biogenic	IIBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2F)cc1	ZINC000002280807	569263125	/nfs/dbraw/zinc/26/31/25/569263125.db2.gz	OERRAVXMBOFDAO-UHFFFAOYSA-N	-1	0	439.428	4.222	50	5		IIBARM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000009635314	569554627	/nfs/dbraw/zinc/55/46/27/569554627.db2.gz	CWOJZCPPTAXHQC-UHFFFAOYSA-N	-1	0	425.182	4.177	50	5		IIBARM
Cn1c(=O)c(C2=Nc3ccccc3S[C@H](c3cccc([N+](=O)[O-])c3)C2)c([O-])[nH]c1=S	ZINC000101495099	557289112	/nfs/dbraw/zinc/28/91/12/557289112.db2.gz	IHNHRHOCKQPARK-INIZCTEOSA-N	-1	0	440.506	4.415	50	5		IIBARM
Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000023732633	557372514	/nfs/dbraw/zinc/37/25/14/557372514.db2.gz	MKHWTYWQECPCFA-UHFFFAOYSA-N	-1	0	428.876	4.088	50	5		IIBARM
Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n(-c2ccc(Cl)c(Cl)c2)n1	ZINC000009349222	569524686	/nfs/dbraw/zinc/52/46/86/569524686.db2.gz	MPLYQHRZSVAUIV-UHFFFAOYSA-N	-1	0	427.269	4.197	50	5		IIBARM
Cn1c(=O)c(C2=Nc3ccccc3S[C@H](c3ccc([N+](=O)[O-])cc3)C2)c([O-])[nH]c1=S	ZINC000101767029	557295869	/nfs/dbraw/zinc/29/58/69/557295869.db2.gz	VMVBAQFGYFKXEB-INIZCTEOSA-N	-1	0	440.506	4.415	50	5		IIBARM
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000102736762	557371826	/nfs/dbraw/zinc/37/18/26/557371826.db2.gz	ZZNCQVJBBNCZSD-PWRODBHTSA-N	-1	0	449.850	4.299	50	5		IIBARM
COc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000034908996	568739377	/nfs/dbraw/zinc/73/93/77/568739377.db2.gz	NYLXTTGKKKHHOO-VIZOYTHASA-N	-1	0	438.820	4.338	50	5		IIBARM
CCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21	ZINC000004130714	568781253	/nfs/dbraw/zinc/78/12/53/568781253.db2.gz	WDLNPAXABVKALO-UHFFFAOYSA-N	-1	0	438.845	4.280	50	5		IIBARM
O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)[n+]([O-])c1[N-]c1ccc(Cl)c(C(F)(F)F)c1	ZINC000016429857	568900832	/nfs/dbraw/zinc/90/08/32/568900832.db2.gz	AACDKUUUGVQNOA-UHFFFAOYSA-N	-1	0	434.161	4.483	50	5		IIBARM
CCOC(=O)NC([N-]c1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F	ZINC000002050350	568940358	/nfs/dbraw/zinc/94/03/58/568940358.db2.gz	AMYAOXSAFVMGGQ-UHFFFAOYSA-N	-1	0	432.302	4.183	50	5		IIBARM
O=C([O-])[C@H](Cc1cccc([N+](=O)[O-])c1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002244134	569213530	/nfs/dbraw/zinc/21/35/30/569213530.db2.gz	UDIZJKKIJYRJIN-QFIPXVFZSA-N	-1	0	432.432	4.129	50	5		IIBARM
CC[C@@H](c1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1)n1cc([N+](=O)[O-])cn1	ZINC000002732299	569419078	/nfs/dbraw/zinc/41/90/78/569419078.db2.gz	HDPDPBOYNGXACK-HNNXBMFYSA-N	-1	0	444.908	4.284	50	5		IIBARM
CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000018085690	557235965	/nfs/dbraw/zinc/23/59/65/557235965.db2.gz	IYRZRYZMLBGFCS-ZLNRFVROSA-N	-1	0	443.459	4.208	50	5		IIBARM
Cn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c([O-])[nH]c1=S	ZINC000101767035	557295766	/nfs/dbraw/zinc/29/57/66/557295766.db2.gz	VMVBAQFGYFKXEB-MRXNPFEDSA-N	-1	0	440.506	4.415	50	5		IIBARM
O=C([O-])[C@@H](Cc1cccc([N+](=O)[O-])c1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002244132	569213526	/nfs/dbraw/zinc/21/35/26/569213526.db2.gz	UDIZJKKIJYRJIN-JOCHJYFZSA-N	-1	0	432.432	4.129	50	5		IIBARM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1Cl	ZINC000009850199	569298264	/nfs/dbraw/zinc/29/82/64/569298264.db2.gz	JOOZSPUUJRJULN-UHFFFAOYSA-N	-1	0	445.840	4.333	50	5		IIBARM
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1	ZINC000002731123	569419406	/nfs/dbraw/zinc/41/94/06/569419406.db2.gz	JTPWPHDXHFWXCK-LBPRGKRZSA-N	-1	0	444.908	4.088	50	5		IIBARM
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000227229398	569431879	/nfs/dbraw/zinc/43/18/79/569431879.db2.gz	WEPISVQXWMCQEK-YTFSRNRJSA-N	-1	0	443.459	4.263	50	5		IIBARM
O=C([O-])[C@@H]1CS[C@H](c2cc([N+](=O)[O-])ccc2OCc2c(Cl)cccc2Cl)N1	ZINC000012428389	526288661	/nfs/dbraw/zinc/28/86/61/526288661.db2.gz	AKOMSGJNEOMXLN-GOEBONIOSA-N	-1	0	429.281	4.269	50	5		IIBARM
O=C1N[C@@H](c2cc([O-])ccc2[N+](=O)[O-])Nc2sc3c(c21)CCN(Cc1ccccc1)C3	ZINC000015947321	556568008	/nfs/dbraw/zinc/56/80/08/556568008.db2.gz	VMWVAZYBPOGNED-HXUWFJFHSA-N	-1	0	436.493	4.349	50	5		IIBARM
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000013769931	556729471	/nfs/dbraw/zinc/72/94/71/556729471.db2.gz	LRTXWKMPYITVEG-ZRBLBEILSA-N	-1	0	443.459	4.263	50	5		IIBARM
O=c1c2c(oc3ccc(Cl)cc13)C([O-])=C(c1nncs1)C2c1ccc([N+](=O)[O-])cc1	ZINC000011614291	557210788	/nfs/dbraw/zinc/21/07/88/557210788.db2.gz	HQIKSAFJDLQLCK-HOCLYGCPSA-N	-1	0	439.836	4.318	50	5		IIBARM
O=c1[nH]c(C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)nc([O-])c1[N+](=O)[O-]	ZINC000015009295	557242954	/nfs/dbraw/zinc/24/29/54/557242954.db2.gz	OZJHFPIKURYSMO-QPJJXVBHSA-N	-1	0	434.235	4.440	50	5		IIBARM
O=C([N-]n1c(=O)c2ccccc2nc1C1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000008683140	562961828	/nfs/dbraw/zinc/96/18/28/562961828.db2.gz	IPTLQSJCHAXKAB-UHFFFAOYSA-N	-1	0	426.860	4.390	50	5		IIBARM
CCc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000016382108	568885904	/nfs/dbraw/zinc/88/59/04/568885904.db2.gz	ACKCQHJNVGJWFC-UHFFFAOYSA-N	-1	0	425.466	4.210	50	5		IIBARM
O=C([N-]n1c(=O)c2ccccc2nc1-c1ccccc1F)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000027528465	569263706	/nfs/dbraw/zinc/26/37/06/569263706.db2.gz	MZPDKAWKRIYSAX-UHFFFAOYSA-N	-1	0	438.802	4.148	50	5		IIBARM
Cc1c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cnn1-c1cccc(C(F)(F)F)c1	ZINC000030657066	569445740	/nfs/dbraw/zinc/44/57/40/569445740.db2.gz	OSEOWBULKMPJPF-LLVKDONJSA-N	-1	0	434.374	4.304	50	5		IIBARM
Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n(-c2ccccc2C(F)(F)F)n1	ZINC000058355123	569453524	/nfs/dbraw/zinc/45/35/24/569453524.db2.gz	RZIZAFIJMJKBGO-UHFFFAOYSA-N	-1	0	440.403	4.217	50	5		IIBARM
CCOc1cc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])s3)o2)cc(OCC)c1OCC	ZINC000009274769	569518209	/nfs/dbraw/zinc/51/82/09/569518209.db2.gz	FFNBDVCKESBHTP-UHFFFAOYSA-N	-1	0	448.457	4.155	50	5		IIBARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-]	ZINC000014186266	557313636	/nfs/dbraw/zinc/31/36/36/557313636.db2.gz	PVYVYJVBZKNKEA-INIZCTEOSA-N	-1	0	439.493	4.195	50	5		IIBARM
O=C([O-])[C@@H]1CS[C@@H](c2ccccc2Cl)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000015303635	568754969	/nfs/dbraw/zinc/75/49/69/568754969.db2.gz	MDRVSRNVAYIPRD-HOCLYGCPSA-N	-1	0	427.265	4.243	50	5		IIBARM
Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000006142083	568845477	/nfs/dbraw/zinc/84/54/77/568845477.db2.gz	YVNJZFCILHTZML-UHFFFAOYSA-N	-1	0	435.465	4.391	50	5		IIBARM
O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002244133	569213532	/nfs/dbraw/zinc/21/35/32/569213532.db2.gz	KVLRWXBYPKSBFY-NRFANRHFSA-N	-1	0	432.432	4.129	50	5		IIBARM
Cc1ccc(S(=O)(=O)[N-]c2ncnc3scc(-c4ccccc4)c32)cc1[N+](=O)[O-]	ZINC000328591114	569316946	/nfs/dbraw/zinc/31/69/46/569316946.db2.gz	PLPPCDVYXHEBEK-UHFFFAOYSA-N	-1	0	426.479	4.376	50	5		IIBARM
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000002828515	569423157	/nfs/dbraw/zinc/42/31/57/569423157.db2.gz	WLLGNMFYAANDFS-QHHAFSJGSA-N	-1	0	440.264	4.126	50	5		IIBARM
CCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc21	ZINC000003878240	569456780	/nfs/dbraw/zinc/45/67/80/569456780.db2.gz	AMWYUPBERDGORM-UHFFFAOYSA-N	-1	0	438.845	4.280	50	5		IIBARM
CCCC[C@H](CC)CNC(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000009763138	569566607	/nfs/dbraw/zinc/56/66/07/569566607.db2.gz	RUBGGORAFVZVBJ-MGPUTAFESA-N	-1	0	447.919	4.167	50	5		IIBARM
O=C([O-])c1ccccc1N1C(=O)c2cccc3c(Br)c([N+](=O)[O-])cc(c32)C1=O	ZINC000001433763	132245337	/nfs/dbraw/zinc/24/53/37/132245337.db2.gz	GMRLAEWMGUTTPO-UHFFFAOYSA-N	-1	0	441.193	4.009	50	5		IIBARM
CC1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)CC1	ZINC000022852293	521034233	/nfs/dbraw/zinc/03/42/33/521034233.db2.gz	HYEOZNWMIREMAS-QGZVFWFLSA-N	-1	0	439.497	4.486	50	5		IIBARM
CC1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)CC1	ZINC000022852291	521037722	/nfs/dbraw/zinc/03/77/22/521037722.db2.gz	HYEOZNWMIREMAS-KRWDZBQOSA-N	-1	0	439.497	4.486	50	5		IIBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1[N+](=O)[O-]	ZINC000012520989	525609987	/nfs/dbraw/zinc/60/99/87/525609987.db2.gz	ZVWHFWPAVXWCMI-UHFFFAOYSA-N	-1	0	443.403	4.071	50	5		IIBARM
C[C@@H]1CCCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)C1	ZINC000105735400	557510800	/nfs/dbraw/zinc/51/08/00/557510800.db2.gz	HULICWCIKLNCFS-CXAGYDPISA-N	-1	0	439.497	4.486	50	5		IIBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c(Br)c1	ZINC000084501771	568798071	/nfs/dbraw/zinc/79/80/71/568798071.db2.gz	FYPIHDXXCMDULR-UHFFFAOYSA-N	-1	0	425.182	4.177	50	5		IIBARM
O=C(Nc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000016096067	568870100	/nfs/dbraw/zinc/87/01/00/568870100.db2.gz	FANCDQDOGRZOFP-UHFFFAOYSA-N	-1	0	431.857	4.301	50	5		IIBARM
O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000002745865	569420068	/nfs/dbraw/zinc/42/00/68/569420068.db2.gz	RHTFHZQKEPKSCE-JOCHJYFZSA-N	-1	0	440.415	4.433	50	5		IIBARM
O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000002745864	569420153	/nfs/dbraw/zinc/42/01/53/569420153.db2.gz	RHTFHZQKEPKSCE-QFIPXVFZSA-N	-1	0	440.415	4.433	50	5		IIBARM
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](CC(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000008892220	569483455	/nfs/dbraw/zinc/48/34/55/569483455.db2.gz	BWBYUVWNQFTRDU-MRXNPFEDSA-N	-1	0	429.816	4.157	50	5		IIBARM
Cc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000006142077	568845378	/nfs/dbraw/zinc/84/53/78/568845378.db2.gz	LRMJREWETFXJTJ-UHFFFAOYSA-N	-1	0	435.465	4.391	50	5		IIBARM
CC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Br)c2Cl)c1	ZINC000253425230	569267228	/nfs/dbraw/zinc/26/72/28/569267228.db2.gz	RGELPLJZJBVEJH-UHFFFAOYSA-N	-1	0	433.667	4.014	50	5		IIBARM
O=c1oc2c(cc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc23)s1	ZINC000008857551	569291287	/nfs/dbraw/zinc/29/12/87/569291287.db2.gz	QUWOAIYBVAQOKI-UHFFFAOYSA-N	-1	0	436.854	4.370	50	5		IIBARM
O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000002751115	569420302	/nfs/dbraw/zinc/42/03/02/569420302.db2.gz	PRKQJZMYYXYJBS-JOCHJYFZSA-N	-1	0	440.415	4.433	50	5		IIBARM
O=C(Nc1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000009096960	569501492	/nfs/dbraw/zinc/50/14/92/569501492.db2.gz	NEBBWHHGOHYEDT-UHFFFAOYSA-N	-1	0	449.847	4.440	50	5		IIBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(C(C)C)C2=O)[C@H]1CCC	ZINC000245325943	569503363	/nfs/dbraw/zinc/50/33/63/569503363.db2.gz	ICQQHMIHKDXIRX-XMSQKQJNSA-N	-1	0	430.505	4.240	50	5		IIBARM
O=C([O-])c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc2c(c1)OCCO2	ZINC000009498351	569541400	/nfs/dbraw/zinc/54/14/00/569541400.db2.gz	GDULXRVIAROKII-UHFFFAOYSA-N	-1	0	426.406	4.045	50	5		IIBARM
CCCCC[C@@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000022512523	520282305	/nfs/dbraw/zinc/28/23/05/520282305.db2.gz	RVXFBIVEBMXHDY-MRXNPFEDSA-N	-1	0	433.530	4.023	50	5		IIBARM
Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000012656359	526078903	/nfs/dbraw/zinc/07/89/03/526078903.db2.gz	SLCONXPRTCJBKZ-BKUYFWCQSA-N	-1	0	445.431	4.011	50	5		IIBARM
O=C([O-])[C@H]1CS[C@H](c2cc([N+](=O)[O-])ccc2OCc2c(Cl)cccc2Cl)N1	ZINC000012428391	526332596	/nfs/dbraw/zinc/33/25/96/526332596.db2.gz	AKOMSGJNEOMXLN-GDBMZVCRSA-N	-1	0	429.281	4.269	50	5		IIBARM
O=C([O-])c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C/c1ccccn1	ZINC000100555163	556619254	/nfs/dbraw/zinc/61/92/54/556619254.db2.gz	DNGCNJSKFFTVGD-WLRTZDKTSA-N	-1	0	434.320	4.074	50	5		IIBARM
O=C1[N-]C(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)N1	ZINC000002237797	569209587	/nfs/dbraw/zinc/20/95/87/569209587.db2.gz	BZMFQOLKIYFMPV-WDZFZDKYSA-N	-1	0	427.722	4.240	50	5		IIBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)[nH]1	ZINC000030840525	569449402	/nfs/dbraw/zinc/44/94/02/569449402.db2.gz	SCZRPYDMSXQHON-XQRVVYSFSA-N	-1	0	434.235	4.028	50	5		IIBARM
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)c(C)c1	ZINC000245327397	569503367	/nfs/dbraw/zinc/50/33/67/569503367.db2.gz	PKIPREABKFBABA-DNVJHFABSA-N	-1	0	443.459	4.263	50	5		IIBARM
CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000143595677	569563219	/nfs/dbraw/zinc/56/32/19/569563219.db2.gz	IYRZRYZMLBGFCS-YTFSRNRJSA-N	-1	0	443.459	4.208	50	5		IIBARM
C[C@H]1CCCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)C1	ZINC000022852289	524104763	/nfs/dbraw/zinc/10/47/63/524104763.db2.gz	HULICWCIKLNCFS-GUYCJALGSA-N	-1	0	439.497	4.486	50	5		IIBARM
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000018097471	557236610	/nfs/dbraw/zinc/23/66/10/557236610.db2.gz	WEPISVQXWMCQEK-ZRBLBEILSA-N	-1	0	443.459	4.263	50	5		IIBARM
O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000102726269	557370029	/nfs/dbraw/zinc/37/00/29/557370029.db2.gz	HBXSYPXOUMPLMU-QHAWAJNXSA-N	-1	0	449.850	4.299	50	5		IIBARM
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102751641	557382869	/nfs/dbraw/zinc/38/28/69/557382869.db2.gz	RTJLZRYWKMSIAW-DNVJHFABSA-N	-1	0	443.459	4.263	50	5		IIBARM
COc1ccc2nc(/C=C/c3cccc([N+](=O)[O-])c3)n(-c3ccc(C(=O)[O-])cc3)c(=O)c2c1	ZINC000058568533	563144569	/nfs/dbraw/zinc/14/45/69/563144569.db2.gz	GNLVJIICVWDSNI-LFYBBSHMSA-N	-1	0	443.415	4.171	50	5	in-vitro	IIBARM
CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)cc3oc1c2-c1cccc(OCC(=O)[O-])c1	ZINC000096114862	569382990	/nfs/dbraw/zinc/38/29/90/569382990.db2.gz	SPJNZHPBWYHUCQ-UHFFFAOYSA-N	-1	0	433.420	4.041	50	5	biogenic	IIBARM
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000018177413	557246056	/nfs/dbraw/zinc/24/60/56/557246056.db2.gz	RTJLZRYWKMSIAW-ZRBLBEILSA-N	-1	0	443.459	4.263	50	5		IIBARM
CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101164259	557257703	/nfs/dbraw/zinc/25/77/03/557257703.db2.gz	IYRZRYZMLBGFCS-ZRBLBEILSA-N	-1	0	443.459	4.208	50	5		IIBARM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc2c(Br)cccc12	ZINC000036092149	568950596	/nfs/dbraw/zinc/95/05/96/568950596.db2.gz	CHTRQHRTJIBOPD-UHFFFAOYSA-N	-1	0	446.282	4.343	50	5		IIBARM
Cc1ccc2cc3c([N-]S(=O)(=O)c4ccc([N+](=O)[O-])cc4)nn(CC(C)C)c3nc2c1	ZINC000009329850	569522948	/nfs/dbraw/zinc/52/29/48/569522948.db2.gz	VGBDKJJRQJOJGH-UHFFFAOYSA-N	-1	0	439.497	4.258	50	5		IIBARM
O=C1S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1	ZINC000016401441	527103218	/nfs/dbraw/zinc/10/32/18/527103218.db2.gz	OFEZGRPRAMXJIS-NVNXTCNLSA-N	-1	0	435.255	4.299	50	5		IIBARM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccccc1Cl	ZINC000100744976	556660114	/nfs/dbraw/zinc/66/01/14/556660114.db2.gz	ALTKAENICPQOPG-TZIWHRDSSA-N	-1	0	446.850	4.031	50	5		IIBARM
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101112649	557256167	/nfs/dbraw/zinc/25/61/67/557256167.db2.gz	WEPISVQXWMCQEK-ZLNRFVROSA-N	-1	0	443.459	4.263	50	5		IIBARM
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101141353	557262103	/nfs/dbraw/zinc/26/21/03/557262103.db2.gz	RTJLZRYWKMSIAW-ZLNRFVROSA-N	-1	0	443.459	4.263	50	5		IIBARM
Cn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3cccc([N+](=O)[O-])c3)C2)c([O-])[nH]c1=S	ZINC000101495101	557289188	/nfs/dbraw/zinc/28/91/88/557289188.db2.gz	IHNHRHOCKQPARK-MRXNPFEDSA-N	-1	0	440.506	4.415	50	5		IIBARM
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102743904	557376986	/nfs/dbraw/zinc/37/69/86/557376986.db2.gz	WEPISVQXWMCQEK-DNVJHFABSA-N	-1	0	443.459	4.263	50	5		IIBARM
COc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(C)cc2C)c(Br)c1[N+](=O)[O-]	ZINC000084133507	568793928	/nfs/dbraw/zinc/79/39/28/568793928.db2.gz	MHFBTQOAYIZKKB-UHFFFAOYSA-N	-1	0	449.710	4.437	50	5		IIBARM
Cn1ncc2c1nc1c(oc3cc(O)cc([O-])c31)c2-c1cc2cccc3c2n(c1=O)CCC3	ZINC000524729261	568903975	/nfs/dbraw/zinc/90/39/75/568903975.db2.gz	LOTVEXRWRWYXDO-UHFFFAOYSA-N	-1	0	438.443	4.207	50	5	biogenic	IIBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(F)(F)F)c2)cc1	ZINC000003348341	569447250	/nfs/dbraw/zinc/44/72/50/569447250.db2.gz	JUZUXAVLXBUEKA-UHFFFAOYSA-N	-1	0	425.182	4.177	50	5		IIBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2F)c1	ZINC000008744268	569472899	/nfs/dbraw/zinc/47/28/99/569472899.db2.gz	IJCTUQNJJCVIQI-UHFFFAOYSA-N	-1	0	439.428	4.222	50	5		IIBARM
COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)oc1ccccc12	ZINC000008778899	569475550	/nfs/dbraw/zinc/47/55/50/569475550.db2.gz	CCHIIZODVCSFPT-UHFFFAOYSA-N	-1	0	428.422	4.312	50	5		IIBARM
Cc1nc2scc(-c3ccccc3)c2c(=O)n1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000040051908	569484512	/nfs/dbraw/zinc/48/45/12/569484512.db2.gz	CEVLIWYHILXZDS-UHFFFAOYSA-N	-1	0	440.868	4.379	50	5		IIBARM
CCCn1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc3cccc(C)c3nc21	ZINC000009510903	569542807	/nfs/dbraw/zinc/54/28/07/569542807.db2.gz	OMSBFMQADLVQOH-UHFFFAOYSA-N	-1	0	425.470	4.012	50	5		IIBARM
CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCc4ccccc4C3)c([O-])n2n1	ZINC000012341920	522537133	/nfs/dbraw/zinc/53/71/33/522537133.db2.gz	BRKXKKDYSJVDJL-IBGZPJMESA-N	-1	0	435.509	4.115	50	5		IIBARM
O=[N+]([O-])c1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCCCC2)cc1	ZINC000022852283	527377898	/nfs/dbraw/zinc/37/78/98/527377898.db2.gz	WLZDAFYSLMDWLM-INIZCTEOSA-N	-1	0	425.470	4.240	50	5		IIBARM
O=[N+]([O-])c1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCCCC2)cc1	ZINC000022852285	527378241	/nfs/dbraw/zinc/37/82/41/527378241.db2.gz	WLZDAFYSLMDWLM-MRXNPFEDSA-N	-1	0	425.470	4.240	50	5		IIBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2ccccc2nc1Nc1ccccc1	ZINC000015979271	568861649	/nfs/dbraw/zinc/86/16/49/568861649.db2.gz	YDOIGJNSULAMNT-UHFFFAOYSA-N	-1	0	435.465	4.391	50	5		IIBARM
O=C(Nc1cccc(-c2cnco2)c1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-]	ZINC000241657613	569203419	/nfs/dbraw/zinc/20/34/19/569203419.db2.gz	PXSAIDFPZJJQJO-UHFFFAOYSA-N	-1	0	425.788	4.047	50	5		IIBARM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(Cl)c1OCc1ccccc1	ZINC000009234963	569294725	/nfs/dbraw/zinc/29/47/25/569294725.db2.gz	BBJORWJPPIPUJU-CMDGGOBGSA-N	-1	0	443.843	4.185	50	5		IIBARM
O=C([O-])c1cccc(N2C(=O)c3cccc4c(Br)c([N+](=O)[O-])cc(c43)C2=O)c1	ZINC000095470817	569371724	/nfs/dbraw/zinc/37/17/24/569371724.db2.gz	JGGKAJUEYGYILL-UHFFFAOYSA-N	-1	0	441.193	4.009	50	5		IIBARM
COc1cc(/C=C2/c3ccccc3C(=O)N(c3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000095949695	569376565	/nfs/dbraw/zinc/37/65/65/569376565.db2.gz	IVJCUSFGRQYWOD-ODLFYWEKSA-N	-1	0	430.416	4.345	50	5		IIBARM
COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCC2)cc1[N+](=O)[O-]	ZINC000009126287	569504870	/nfs/dbraw/zinc/50/48/70/569504870.db2.gz	FNWQWKXUGYVKGG-UHFFFAOYSA-N	-1	0	445.419	4.023	50	5		IIBARM
O=C([O-])[C@@H]1CS[C@@H](c2cc([N+](=O)[O-])ccc2OCc2c(Cl)cccc2Cl)N1	ZINC000012428390	526288760	/nfs/dbraw/zinc/28/87/60/526288760.db2.gz	AKOMSGJNEOMXLN-HOCLYGCPSA-N	-1	0	429.281	4.269	50	5		IIBARM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1-c1nnc2n1CCCCC2	ZINC000012521257	527333740	/nfs/dbraw/zinc/33/37/40/527333740.db2.gz	UBXZJCXBCXPEQZ-UHFFFAOYSA-N	-1	0	447.904	4.034	50	5		IIBARM
Cc1c(O[C@@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)ccc2c3ccccc3c(=O)oc12	ZINC000238881584	556681944	/nfs/dbraw/zinc/68/19/44/556681944.db2.gz	AWLOHOKCXNGHMM-ULQDDVLXSA-N	-1	0	437.492	4.029	50	5	biogenic	IIBARM
COc1cc(C(=O)[N-]c2nnc(CSc3ccccc3)s2)c([N+](=O)[O-])cc1OC	ZINC000009355788	569295699	/nfs/dbraw/zinc/29/56/99/569295699.db2.gz	OUHFRNZOIDVBPK-UHFFFAOYSA-N	-1	0	432.483	4.008	50	5		IIBARM
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](CC(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000008892219	569483483	/nfs/dbraw/zinc/48/34/83/569483483.db2.gz	BWBYUVWNQFTRDU-INIZCTEOSA-N	-1	0	429.816	4.157	50	5		IIBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1c1ccccc1	ZINC000008814845	132294852	/nfs/dbraw/zinc/29/48/52/132294852.db2.gz	PQZSVUDTJJTAAD-AUSIDOKSSA-N	-1	0	434.452	4.010	50	5		IIBARM
O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000012791631	526804647	/nfs/dbraw/zinc/80/46/47/526804647.db2.gz	YGKBMWSWXSCSKY-UHFFFAOYSA-N	-1	0	428.448	4.142	50	5		IIBARM
Cc1onc(-c2ccccc2)c1C(=O)N[C@H](CC(=O)[O-])c1cc([N+](=O)[O-])ccc1Cl	ZINC000012372264	526847404	/nfs/dbraw/zinc/84/74/04/526847404.db2.gz	PETPJIULZSABHA-MRXNPFEDSA-N	-1	0	429.816	4.157	50	5		IIBARM
Cc1c(O[C@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)ccc2c3ccccc3c(=O)oc12	ZINC000238881581	556681977	/nfs/dbraw/zinc/68/19/77/556681977.db2.gz	AWLOHOKCXNGHMM-BRWVUGGUSA-N	-1	0	437.492	4.029	50	5	biogenic	IIBARM
Cc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000002321975	569274142	/nfs/dbraw/zinc/27/41/42/569274142.db2.gz	ITZIWBHUTGPDCL-UHFFFAOYSA-N	-1	0	435.465	4.391	50	5		IIBARM
O=C(c1cc(NC[C@H]2CCCO2)c2nc3ccccc3c(=O)n2c1)c1cc(Cl)ccc1[O-]	ZINC000009578694	569548414	/nfs/dbraw/zinc/54/84/14/569548414.db2.gz	DGROSVJMQPEKBM-MRXNPFEDSA-N	-1	0	449.894	4.029	50	5		IIBARM
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCc4ccccc4C3)c([O-])n2n1	ZINC000012341921	522534917	/nfs/dbraw/zinc/53/49/17/522534917.db2.gz	BRKXKKDYSJVDJL-LJQANCHMSA-N	-1	0	435.509	4.115	50	5		IIBARM
O=C1N[C@H](c2cc([O-])ccc2[N+](=O)[O-])Nc2sc3c(c21)CCN(Cc1ccccc1)C3	ZINC000015947323	556568140	/nfs/dbraw/zinc/56/81/40/556568140.db2.gz	VMWVAZYBPOGNED-FQEVSTJZSA-N	-1	0	436.493	4.349	50	5		IIBARM
CCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21	ZINC000006142945	568845236	/nfs/dbraw/zinc/84/52/36/568845236.db2.gz	NSFYPUMVINONBX-UHFFFAOYSA-N	-1	0	432.454	4.407	50	5		IIBARM
Cc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000006142080	568845469	/nfs/dbraw/zinc/84/54/69/568845469.db2.gz	MKQOBFYCDSTXQX-UHFFFAOYSA-N	-1	0	435.465	4.391	50	5		IIBARM
COC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc21	ZINC000008871958	569291588	/nfs/dbraw/zinc/29/15/88/569291588.db2.gz	QPYGOEBGYUBNOK-UHFFFAOYSA-N	-1	0	440.433	4.390	50	5		IIBARM
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1	ZINC000002731124	569419381	/nfs/dbraw/zinc/41/93/81/569419381.db2.gz	JTPWPHDXHFWXCK-GFCCVEGCSA-N	-1	0	444.908	4.088	50	5		IIBARM
CCCn1nc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2cc3cc(C)ccc3nc21	ZINC000009187819	569510477	/nfs/dbraw/zinc/51/04/77/569510477.db2.gz	UQAXMKLNMUDREE-UHFFFAOYSA-N	-1	0	425.470	4.012	50	5		IIBARM
O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1c1ccccc1	ZINC000008814846	132294858	/nfs/dbraw/zinc/29/48/58/132294858.db2.gz	PQZSVUDTJJTAAD-XXBNENTESA-N	-1	0	434.452	4.010	50	5		IIBARM
O=C([O-])c1cc(-c2ccc(OC(F)F)cc2)nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)c21	ZINC000020492307	526342181	/nfs/dbraw/zinc/34/21/81/526342181.db2.gz	MNEYBUYJLNCITF-UHFFFAOYSA-N	-1	0	426.335	4.500	50	5		IIBARM
O=C(c1cc(NC[C@@H]2CCCO2)c2nc3ccccc3c(=O)n2c1)c1cc(Cl)ccc1[O-]	ZINC000012568392	526625988	/nfs/dbraw/zinc/62/59/88/526625988.db2.gz	DGROSVJMQPEKBM-INIZCTEOSA-N	-1	0	449.894	4.029	50	5		IIBARM
O=C([O-])[C@H]1CS[C@@H](c2cc([N+](=O)[O-])ccc2OCc2c(Cl)cccc2Cl)N1	ZINC000004482218	556334086	/nfs/dbraw/zinc/33/40/86/556334086.db2.gz	AKOMSGJNEOMXLN-ZBFHGGJFSA-N	-1	0	429.281	4.269	50	5		IIBARM
O=C([O-])c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1	ZINC000001109227	562920523	/nfs/dbraw/zinc/92/05/23/562920523.db2.gz	CDLVOEXVJYKSPY-UHFFFAOYSA-N	-1	0	428.404	4.398	50	5		IIBARM
Cc1cccc(-c2nc3ccccc3[nH]c2=O)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000095945161	569375798	/nfs/dbraw/zinc/37/57/98/569375798.db2.gz	IRIZTGUSYSFQIC-UHFFFAOYSA-N	-1	0	436.449	4.020	50	5		IIBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nn(Cc3c(F)cccc3Cl)cc2Cl)cc1	ZINC000002781883	569421078	/nfs/dbraw/zinc/42/10/78/569421078.db2.gz	FYGRBSXPHBFMMY-UHFFFAOYSA-N	-1	0	445.259	4.086	50	5		IIBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(F)cc2)c1	ZINC000008934565	569487963	/nfs/dbraw/zinc/48/79/63/569487963.db2.gz	YQQJCFYCSUDUFP-UHFFFAOYSA-N	-1	0	439.428	4.222	50	5		IIBARM
O=C([O-])c1cccc(NC(=O)c2ccccc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1	ZINC000013881486	556748290	/nfs/dbraw/zinc/74/82/90/556748290.db2.gz	WLPLEDVOMDQIKN-JLHYYAGUSA-N	-1	0	431.404	4.197	50	5	biogenic	IIBARM
O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000102726263	557370017	/nfs/dbraw/zinc/37/00/17/557370017.db2.gz	HBXSYPXOUMPLMU-PCCBWWKXSA-N	-1	0	449.850	4.299	50	5		IIBARM
O=c1[nH]c(Sc2c3nsnc3c(Br)cc2[N+](=O)[O-])nc2ccccc12	ZINC000016525164	563020928	/nfs/dbraw/zinc/02/09/28/563020928.db2.gz	WDLICPWHCJUMNC-UHFFFAOYSA-N	-1	0	436.272	4.162	50	5		IIBARM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)ccc1Cl	ZINC000013097347	569309698	/nfs/dbraw/zinc/30/96/98/569309698.db2.gz	XFKILWDJRRCXED-UHFFFAOYSA-N	-1	0	426.075	4.465	50	5		IIBARM
CCCC[C@H](CC)CNC(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000009763140	569566563	/nfs/dbraw/zinc/56/65/63/569566563.db2.gz	RUBGGORAFVZVBJ-YWZLYKJASA-N	-1	0	447.919	4.167	50	5		IIBARM
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](CC(=O)[O-])c1cc([N+](=O)[O-])ccc1Cl	ZINC000012372263	526846459	/nfs/dbraw/zinc/84/64/59/526846459.db2.gz	PETPJIULZSABHA-INIZCTEOSA-N	-1	0	429.816	4.157	50	5		IIBARM
COc1ccc2cc(-c3c4cnn(C)c4nc4c3oc3cc(O)cc([O-])c34)c(=O)[nH]c2c1	ZINC000409415709	556641970	/nfs/dbraw/zinc/64/19/70/556641970.db2.gz	ZKDDLSBSIYVXNU-UHFFFAOYSA-N	-1	0	428.404	4.208	50	5	biogenic	IIBARM
O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000048341223	557071053	/nfs/dbraw/zinc/07/10/53/557071053.db2.gz	PAOJLVZEKVRQMA-UHFFFAOYSA-N	-1	0	432.411	4.222	50	5		IIBARM
O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000000808501	557217411	/nfs/dbraw/zinc/21/74/11/557217411.db2.gz	DAKGIVDCIHCSAJ-UHFFFAOYSA-N	-1	0	431.857	4.301	50	5		IIBARM
COc1ccc(-c2c(C(F)(F)F)[n-]n3c2nc(-c2cccc([N+](=O)[O-])c2)cc3=O)cc1	ZINC000100233330	557375981	/nfs/dbraw/zinc/37/59/81/557375981.db2.gz	FWCXFDIUNXQPDD-UHFFFAOYSA-N	-1	0	430.342	4.292	50	5		IIBARM
O=C([O-])c1ccc2c(c1)nc(SCc1ccc([N+](=O)[O-])cc1)n(Cc1ccccc1)c2=O	ZINC000002626651	562928672	/nfs/dbraw/zinc/92/86/72/562928672.db2.gz	UARBSKYEXAYBJV-UHFFFAOYSA-N	-1	0	447.472	4.344	50	5		IIBARM
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)c(C)c1	ZINC000245246111	569501098	/nfs/dbraw/zinc/50/10/98/569501098.db2.gz	IVBAGKFXHHRVFK-DNVJHFABSA-N	-1	0	443.459	4.263	50	5		IIBARM
CCCn1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc3ccc(C)cc3nc21	ZINC000009187803	569510450	/nfs/dbraw/zinc/51/04/50/569510450.db2.gz	GCAKDCYTOKKHOD-UHFFFAOYSA-N	-1	0	425.470	4.012	50	5		IIBARM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)Nc2ccccc2)c1	ZINC000022412319	525474407	/nfs/dbraw/zinc/47/44/07/525474407.db2.gz	BLZKDMVTVKMJKM-UHFFFAOYSA-N	-1	0	442.453	4.048	50	5		IIBARM
Cc1ccc(Oc2ncccc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2c1CCC2	ZINC000001030316	568653662	/nfs/dbraw/zinc/65/36/62/568653662.db2.gz	CRCONFUGXINWSM-UHFFFAOYSA-N	-1	0	425.466	4.380	50	5		IIBARM
Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002324201	569274089	/nfs/dbraw/zinc/27/40/89/569274089.db2.gz	FBCNMZIYZNMNLF-UHFFFAOYSA-N	-1	0	435.465	4.391	50	5		IIBARM
O=[N+]([O-])c1nn(-c2cccc(Cl)c2)[n+]([O-])c1[N-]c1ccc(Cl)c(C(F)(F)F)c1	ZINC000020177052	569354557	/nfs/dbraw/zinc/35/45/57/569354557.db2.gz	URPAMAVQVPGDKD-UHFFFAOYSA-N	-1	0	434.161	4.483	50	5		IIBARM
O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-]	ZINC000008454260	569464965	/nfs/dbraw/zinc/46/49/65/569464965.db2.gz	FYRQYIFVYYLZPG-UHFFFAOYSA-N	-1	0	429.408	4.016	50	5		IIBARM
CCOc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc([N+](=O)[O-])cc3)n2)cc1OC	ZINC000020492209	520807895	/nfs/dbraw/zinc/80/78/95/520807895.db2.gz	UJUYSBQQTSTMGU-UHFFFAOYSA-N	-1	0	434.408	4.306	50	5		IIBARM
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C3CC3)n2)cc1[N+](=O)[O-]	ZINC000012812904	525747767	/nfs/dbraw/zinc/74/77/67/525747767.db2.gz	PPEVNOXELNFBIV-UHFFFAOYSA-N	-1	0	433.877	4.020	50	5		IIBARM
O=C([O-])c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C/c1ccccc1O	ZINC000100551371	556617437	/nfs/dbraw/zinc/61/74/37/556617437.db2.gz	CIXWYUGIXWIQPP-WLRTZDKTSA-N	-1	0	449.331	4.384	50	5		IIBARM
O=c1oc2cc([O-])c([N+](=O)[O-])cc2cc1-c1csc(-c2cc3ccccc3oc2=O)n1	ZINC000023114763	557003214	/nfs/dbraw/zinc/00/32/14/557003214.db2.gz	NQBUBCJNSJEBSY-UHFFFAOYSA-N	-1	0	434.385	4.304	50	5		IIBARM
O=C([O-])c1ccccc1NC(=O)c1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1	ZINC000002979928	562931448	/nfs/dbraw/zinc/93/14/48/562931448.db2.gz	ROROBXIUVSSHHH-JLHYYAGUSA-N	-1	0	431.404	4.197	50	5		IIBARM
O=C([O-])c1cc(Br)cc(Br)c1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000016667091	568931733	/nfs/dbraw/zinc/93/17/33/568931733.db2.gz	IPBXWEGBGVKJQR-UHFFFAOYSA-N	-1	0	444.035	4.070	50	5		IIBARM
CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)cc1[N+](=O)[O-]	ZINC000009426141	569296097	/nfs/dbraw/zinc/29/60/97/569296097.db2.gz	ZPMIBWVQTHLRCI-UHFFFAOYSA-N	-1	0	430.269	4.133	50	5		IIBARM
Cc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)c(C)c1	ZINC000008994199	132300043	/nfs/dbraw/zinc/30/00/43/132300043.db2.gz	FBUZACFTWAVIGW-YKSBVNFPSA-N	-1	0	448.479	4.236	50	5		IIBARM
O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002745892	560188479	/nfs/dbraw/zinc/18/84/79/560188479.db2.gz	FAPWESYGTXHTQV-JOCHJYFZSA-N	-1	0	440.415	4.433	50	5	in-vitro	IIBARM
COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000037342274	569159993	/nfs/dbraw/zinc/15/99/93/569159993.db2.gz	RQAXTGNZGAWOQJ-GIDUJCDVSA-N	-1	0	438.820	4.338	50	5		IIBARM
Cc1cccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000027527506	569263245	/nfs/dbraw/zinc/26/32/45/569263245.db2.gz	LVUIGSPBIVHGEX-UHFFFAOYSA-N	-1	0	434.839	4.317	50	5		IIBARM
Cc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000002353559	569285894	/nfs/dbraw/zinc/28/58/94/569285894.db2.gz	IJXUHCDSLSBTIH-UHFFFAOYSA-N	-1	0	435.465	4.391	50	5		IIBARM
Cc1cc([N+](=O)[O-])nn1[C@@H](C)c1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1	ZINC000002732705	569418971	/nfs/dbraw/zinc/41/89/71/569418971.db2.gz	CGQGXTYRZORXPW-LBPRGKRZSA-N	-1	0	444.908	4.202	50	5		IIBARM
CC[C@H](c1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1)n1cc([N+](=O)[O-])cn1	ZINC000002732300	569419018	/nfs/dbraw/zinc/41/90/18/569419018.db2.gz	HDPDPBOYNGXACK-OAHLLOKOSA-N	-1	0	444.908	4.284	50	5		IIBARM
Cc1nn([C@H](C)c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)cc1[N+](=O)[O-]	ZINC000002731621	569419531	/nfs/dbraw/zinc/41/95/31/569419531.db2.gz	SRZFAVIQPVJXND-GFCCVEGCSA-N	-1	0	444.908	4.202	50	5		IIBARM
CCCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O	ZINC000245326442	569503413	/nfs/dbraw/zinc/50/34/13/569503413.db2.gz	KCDHUFGJZNDAAC-CVDCTZTESA-N	-1	0	436.468	4.034	50	5		IIBARM
CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C=Cc3onc(C)c3[N+](=O)[O-])s2)c1	ZINC000021112620	518446175	/nfs/dbraw/zinc/44/61/75/518446175.db2.gz	QDFUBTSCRAVNQR-SOFGYWHQSA-N	-1	0	433.467	4.127	50	5		IIBARM
O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000023172620	557034474	/nfs/dbraw/zinc/03/44/74/557034474.db2.gz	PVHRCXFPUGTVPI-UHFFFAOYSA-N	-1	0	437.886	4.363	50	5		IIBARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-]	ZINC000014186264	557313696	/nfs/dbraw/zinc/31/36/96/557313696.db2.gz	PVYVYJVBZKNKEA-MRXNPFEDSA-N	-1	0	439.493	4.195	50	5		IIBARM
O=c1c2c(oc3ccc(Cl)cc13)C([O-])=C(c1nncs1)C2c1ccc([N+](=O)[O-])cc1	ZINC000102484988	557331211	/nfs/dbraw/zinc/33/12/11/557331211.db2.gz	HQIKSAFJDLQLCK-GDBMZVCRSA-N	-1	0	439.836	4.318	50	5		IIBARM
CCOc1ccc(-c2nn3c(-c4ccccc4C(=O)[O-])nc4ccccc4c3nc2=O)cc1	ZINC000065501911	569138889	/nfs/dbraw/zinc/13/88/89/569138889.db2.gz	RURPMYOOBROYCD-UHFFFAOYSA-N	-1	0	438.443	4.069	50	5		IIBARM
Cc1cccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1	ZINC000027527525	569263331	/nfs/dbraw/zinc/26/33/31/569263331.db2.gz	IQBDAZQUHWIIBA-UHFFFAOYSA-N	-1	0	434.839	4.317	50	5		IIBARM
O=C([N-]n1c(=O)c2ccccc2nc1-c1cccs1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000027528038	569263503	/nfs/dbraw/zinc/26/35/03/569263503.db2.gz	WAFUGPNQYMRZPF-UHFFFAOYSA-N	-1	0	426.841	4.071	50	5		IIBARM
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000227069560	569431425	/nfs/dbraw/zinc/43/14/25/569431425.db2.gz	RTJLZRYWKMSIAW-YTFSRNRJSA-N	-1	0	443.459	4.263	50	5		IIBARM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)ccc1Cl	ZINC000012552594	527339907	/nfs/dbraw/zinc/33/99/07/527339907.db2.gz	CVNXGGJCVKMQOW-UHFFFAOYSA-N	-1	0	446.794	4.254	50	5		IIBARM
COc1cc(/C=C2\c3ccccc3C(=O)N(c3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000033749956	556630532	/nfs/dbraw/zinc/63/05/32/556630532.db2.gz	IVJCUSFGRQYWOD-YBFXNURJSA-N	-1	0	430.416	4.345	50	5		IIBARM
O=c1c2c(oc3ccc(Cl)cc13)C([O-])=C(c1nncs1)C2c1ccc([N+](=O)[O-])cc1	ZINC000011614293	557210653	/nfs/dbraw/zinc/21/06/53/557210653.db2.gz	HQIKSAFJDLQLCK-ZBFHGGJFSA-N	-1	0	439.836	4.318	50	5		IIBARM
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101124159	557261122	/nfs/dbraw/zinc/26/11/22/557261122.db2.gz	LRTXWKMPYITVEG-ZLNRFVROSA-N	-1	0	443.459	4.263	50	5		IIBARM
O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)c(Br)c3)sc2c1	ZINC000170613685	569146166	/nfs/dbraw/zinc/14/61/66/569146166.db2.gz	GEHOBKZBIPKKLR-UHFFFAOYSA-N	-1	0	448.707	4.421	50	5		IIBARM
O=C([N-]n1c(=O)c2ccccc2nc1-c1ccccc1F)c1ccc([N+](=O)[O-])cc1Cl	ZINC000027528441	569263587	/nfs/dbraw/zinc/26/35/87/569263587.db2.gz	BDYGCDVXNAWIBH-UHFFFAOYSA-N	-1	0	438.802	4.148	50	5		IIBARM
O=C([O-])[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002560728	569409522	/nfs/dbraw/zinc/40/95/22/569409522.db2.gz	RZRRJPNDKJOLHI-JOCHJYFZSA-N	-1	0	432.432	4.129	50	5		IIBARM
Cc1c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cnn1-c1cccc(C(F)(F)F)c1	ZINC000030657070	569445773	/nfs/dbraw/zinc/44/57/73/569445773.db2.gz	OSEOWBULKMPJPF-NSHDSACASA-N	-1	0	434.374	4.304	50	5		IIBARM