smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1C	ZINC000007323162	204295707	/nfs/dbraw/zinc/29/57/07/204295707.db2.gz	OKAJGHBWQCLYAC-UHFFFAOYSA-N	-1	1	364.379	2.784	50	5		FFBAMM
O=C1[N-]C(=S)NC(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@@H]12	ZINC000009009365	506677257	/nfs/dbraw/zinc/67/72/57/506677257.db2.gz	IJBKDEZOSVNXCY-CYBMUJFWSA-N	-1	1	374.422	2.669	50	5		FFBAMM
O=C1[N-]C(=S)NC(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@@H]12	ZINC000009009365	506677261	/nfs/dbraw/zinc/67/72/61/506677261.db2.gz	IJBKDEZOSVNXCY-CYBMUJFWSA-N	-1	1	374.422	2.669	50	5		FFBAMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cn2cccn2)c1	ZINC000031722551	507821314	/nfs/dbraw/zinc/82/13/14/507821314.db2.gz	XECLZTNNZXAYEH-UHFFFAOYSA-N	-1	1	372.406	2.949	50	5		FFBAMM
COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC	ZINC000005126772	204192846	/nfs/dbraw/zinc/19/28/46/204192846.db2.gz	GXDHRWRUALKCCD-UHFFFAOYSA-N	-1	1	352.368	2.721	50	5		FFBAMM
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1CO	ZINC000048325602	206083306	/nfs/dbraw/zinc/08/33/06/206083306.db2.gz	FGXCEGWYCHRUPY-UHFFFAOYSA-N	-1	1	366.395	2.513	50	5		FFBAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1	ZINC000011443230	206284564	/nfs/dbraw/zinc/28/45/64/206284564.db2.gz	SDNBWHADIXRMCP-UHFFFAOYSA-N	-1	1	362.411	2.670	50	5		FFBAMM
O=C1[N-]C(=S)NC1=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	ZINC000105417100	508373188	/nfs/dbraw/zinc/37/31/88/508373188.db2.gz	FWVYBQDYOSOHBL-KPKJPENVSA-N	-1	1	359.338	2.871	50	5		FFBAMM
CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1C	ZINC000055615305	205221104	/nfs/dbraw/zinc/22/11/04/205221104.db2.gz	DXJXAEVXDCQASU-UHFFFAOYSA-N	-1	1	363.395	2.971	50	5		FFBAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)cc1[N+](=O)[O-]	ZINC000004263014	206235836	/nfs/dbraw/zinc/23/58/36/206235836.db2.gz	HWCWNRJKSBHSJB-UHFFFAOYSA-N	-1	1	350.352	2.607	50	5		FFBAMM
O=C1C[C@H](c2ccccc2[N+](=O)[O-])c2c(=O)[n-]c(N3CCCCC3)nc2N1	ZINC000670416095	571336698	/nfs/dbraw/zinc/33/66/98/571336698.db2.gz	KHSCQLKHNBRXRX-GFCCVEGCSA-N	-1	1	369.381	2.555	50	5		FFBAMM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc2s1	ZINC000003906376	204115940	/nfs/dbraw/zinc/11/59/40/204115940.db2.gz	FWVIVYOSFMDPFP-UHFFFAOYSA-N	-1	1	351.365	2.711	50	5		FFBAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)sc3c2)cc1[N+](=O)[O-]	ZINC000004148309	204124171	/nfs/dbraw/zinc/12/41/71/204124171.db2.gz	BLZMVYHGYMREBH-UHFFFAOYSA-N	-1	1	366.376	2.872	50	5	biogenic	FFBAMM
CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cc([O-])ccc2[N+](=O)[O-])N3)C1	ZINC000006594381	204256152	/nfs/dbraw/zinc/25/61/52/204256152.db2.gz	SVVGNZYPGCJDLE-OAHLLOKOSA-N	-1	1	374.422	2.594	50	5		FFBAMM
COc1ccc(Oc2ccc(/C=C3\NC(=S)[N-]C3=O)cc2[N+](=O)[O-])cc1	ZINC000008324218	204325763	/nfs/dbraw/zinc/32/57/63/204325763.db2.gz	IPSZERRUGPVSQK-JYRVWZFOSA-N	-1	1	371.374	2.741	50	5		FFBAMM
CCOC(=O)c1ccc([N-]c2cc(OC)c([N+](=O)[O-])nc2[N+](=O)[O-])cc1	ZINC000023283641	507343501	/nfs/dbraw/zinc/34/35/01/507343501.db2.gz	FTBJVVMIWAYQOX-UHFFFAOYSA-N	-1	1	362.298	2.827	50	5		FFBAMM
COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000004817987	204166535	/nfs/dbraw/zinc/16/65/35/204166535.db2.gz	PHOUKODAUMRZRQ-UHFFFAOYSA-N	-1	1	364.379	2.799	50	5		FFBAMM
O=C1[N-]C(=S)NC1=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	ZINC000008324221	204326285	/nfs/dbraw/zinc/32/62/85/204326285.db2.gz	FWVYBQDYOSOHBL-GHXNOFRVSA-N	-1	1	359.338	2.871	50	5		FFBAMM
O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2c(=O)[n-]c(-c3ccccc3)nc2N1	ZINC000009165041	204356415	/nfs/dbraw/zinc/35/64/15/204356415.db2.gz	HGUFKOZVHWBHQM-CQSZACIVSA-N	-1	1	362.345	2.819	50	5		FFBAMM
O=C1[N-]C(=S)NC1=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	ZINC000000993806	506242598	/nfs/dbraw/zinc/24/25/98/506242598.db2.gz	KKMUVOQRACFRHO-OQLLNIDSSA-N	-1	1	355.375	2.930	50	5		FFBAMM
CCN(CC)c1nc([O-])c(CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])s1	ZINC000012687113	506890395	/nfs/dbraw/zinc/89/03/95/506890395.db2.gz	FDKBBGVSPBVJBT-ZDUSSCGKSA-N	-1	1	364.427	2.572	50	5		FFBAMM
CCn1c(=O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c([O-])c2ccccc21	ZINC000100502050	209214952	/nfs/dbraw/zinc/21/49/52/209214952.db2.gz	GOMMEKHRHSEIGS-UHFFFAOYSA-N	-1	1	369.333	2.593	50	5		FFBAMM
CC[C@@H](C)Oc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1OC	ZINC000009010326	207255976	/nfs/dbraw/zinc/25/59/76/207255976.db2.gz	WLSHSLYCMIQQFC-QEHWCHDUSA-N	-1	1	361.354	2.740	50	5		FFBAMM
COc1ccc(C(=O)C=C([O-])C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1	ZINC000101354921	209224275	/nfs/dbraw/zinc/22/42/75/209224275.db2.gz	JOMDZBIQDVFSGX-UHFFFAOYSA-N	-1	1	356.334	2.692	50	5		FFBAMM
O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)c2c(=O)[n-]c(-c3ccccc3)nc2N1	ZINC000008738976	207246608	/nfs/dbraw/zinc/24/66/08/207246608.db2.gz	HGFXAXKLPATAKY-CQSZACIVSA-N	-1	1	362.345	2.819	50	5		FFBAMM
O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NOC2=C([O-])N1c1cccc(Cl)c1	ZINC000103529699	209254012	/nfs/dbraw/zinc/25/40/12/209254012.db2.gz	GHCHCBRODQXBLY-DZGCQCFKSA-N	-1	1	371.736	2.541	50	5		FFBAMM
O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000000792949	206832096	/nfs/dbraw/zinc/83/20/96/206832096.db2.gz	IIJQJWNGBILZCU-UHFFFAOYSA-N	-1	1	356.743	2.747	50	5		FFBAMM
O=C1[C@H]2C(c3ccccc3Cl)=NOC2=C([O-])N1c1cccc([N+](=O)[O-])c1	ZINC000103539526	508317577	/nfs/dbraw/zinc/31/75/77/508317577.db2.gz	VFNIMOBWDOSCKR-DZGCQCFKSA-N	-1	1	371.736	2.541	50	5		FFBAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(C)O)c2)cc1[N+](=O)[O-]	ZINC000170610527	509678775	/nfs/dbraw/zinc/67/87/75/509678775.db2.gz	WLNDMAMQKWRRIZ-UHFFFAOYSA-N	-1	1	350.396	2.931	50	5		FFBAMM
COc1ccccc1C(=O)C=C([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1C	ZINC000101354831	209224363	/nfs/dbraw/zinc/22/43/63/209224363.db2.gz	ZBFVZWBYKCNNSJ-UHFFFAOYSA-N	-1	1	356.334	2.692	50	5		FFBAMM
O=C(Nc1ccccc1[N+](=O)[O-])c1nc[n-]c1C(=O)Nc1ccc(F)cc1	ZINC000004689817	506388853	/nfs/dbraw/zinc/38/88/53/506388853.db2.gz	NKOGVOYFHSQZEN-UHFFFAOYSA-N	-1	1	369.312	2.962	50	5		FFBAMM
O=C(Nc1ccc([N+](=O)[O-])cc1)c1nc[n-]c1C(=O)Nc1ccc(F)cc1	ZINC000013153392	506930238	/nfs/dbraw/zinc/93/02/38/506930238.db2.gz	HLKAEXXJVCZHGX-UHFFFAOYSA-N	-1	1	369.312	2.962	50	5		FFBAMM
O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NOC2=C([O-])N1c1ccc(Cl)cc1	ZINC000103608102	508319150	/nfs/dbraw/zinc/31/91/50/508319150.db2.gz	TXQJNUPPOMOQKK-DZGCQCFKSA-N	-1	1	371.736	2.541	50	5		FFBAMM
CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)cc21	ZINC000095457185	209054479	/nfs/dbraw/zinc/05/44/79/209054479.db2.gz	SRTSLAIXXOLWTG-UHFFFAOYSA-N	-1	1	361.379	2.625	50	5		FFBAMM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1Cl	ZINC000057512914	507283467	/nfs/dbraw/zinc/28/34/67/507283467.db2.gz	OTKKORBNPUMBRC-UHFFFAOYSA-N	-1	1	354.771	2.984	50	5		FFBAMM
CCCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1OCC	ZINC000009234901	207262016	/nfs/dbraw/zinc/26/20/16/207262016.db2.gz	RZSAJVQBRWRKDO-SOFGYWHQSA-N	-1	1	361.354	2.742	50	5		FFBAMM
COc1cc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2N)cc1C	ZINC000095939651	209086742	/nfs/dbraw/zinc/08/67/42/209086742.db2.gz	OLTVXALWUGLUDH-UHFFFAOYSA-N	-1	1	351.384	2.603	50	5		FFBAMM
COc1cc(C=C2NC(=S)[N-]C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000012970972	220047761	/nfs/dbraw/zinc/04/77/61/220047761.db2.gz	KJNJOHKKTPLNHY-WDZFZDKYSA-N	-1	1	372.362	2.547	50	5		FFBAMM
O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-]	ZINC000004596973	506385330	/nfs/dbraw/zinc/38/53/30/506385330.db2.gz	JQGFYFPXSTUEPI-UHFFFAOYSA-N	-1	1	361.379	2.522	50	5		FFBAMM
O=C1C[C@@H](c2ccccc2[N+](=O)[O-])c2c(=O)[n-]c(N3CCCCC3)nc2N1	ZINC000670416096	571336735	/nfs/dbraw/zinc/33/67/35/571336735.db2.gz	KHSCQLKHNBRXRX-LBPRGKRZSA-N	-1	1	369.381	2.555	50	5		FFBAMM
CCCc1cc(=O)[n-]c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1	ZINC000016045265	211153617	/nfs/dbraw/zinc/15/36/17/211153617.db2.gz	YDKWQXNUYAFLFM-UHFFFAOYSA-N	-1	1	363.395	2.789	50	5		FFBAMM
COc1cc(C(=O)[N-]c2nnc(CC(C)C)s2)c([N+](=O)[O-])cc1OC	ZINC000001152751	210326296	/nfs/dbraw/zinc/32/62/96/210326296.db2.gz	QINGNMZERMDILN-UHFFFAOYSA-N	-1	1	366.399	2.914	50	5		FFBAMM
O=[N+]([O-])c1cccc(C2=Nn3c(nnc3-c3ccccc3[O-])SC2)c1	ZINC000003911155	506353428	/nfs/dbraw/zinc/35/34/28/506353428.db2.gz	NPEWMSBNILIWKP-UHFFFAOYSA-N	-1	1	353.363	2.917	50	5		FFBAMM
COC(=O)C1=C(C)Nc2[nH]c(=S)[n-]c(=O)c2[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000028294252	507717896	/nfs/dbraw/zinc/71/78/96/507717896.db2.gz	QWOMQZZKLYJBKI-LLVKDONJSA-N	-1	1	374.378	2.757	50	5		FFBAMM
O=C([N-]c1nnc(C2=COCCO2)o1)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000009427805	210290367	/nfs/dbraw/zinc/29/03/67/210290367.db2.gz	HULPHDATGNYCJW-UHFFFAOYSA-N	-1	1	374.334	2.790	50	5		FFBAMM
COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000008092236	506621929	/nfs/dbraw/zinc/62/19/29/506621929.db2.gz	RACCLZHDELCCHL-UHFFFAOYSA-N	-1	1	370.770	2.836	50	5		FFBAMM
O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2c(=O)[n-]c(-c3ccccc3)nc2N1	ZINC000009165040	506686072	/nfs/dbraw/zinc/68/60/72/506686072.db2.gz	HGUFKOZVHWBHQM-AWEZNQCLSA-N	-1	1	362.345	2.819	50	5		FFBAMM
COc1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1[N+](=O)[O-]	ZINC000011342042	506772514	/nfs/dbraw/zinc/77/25/14/506772514.db2.gz	UQAMRAVMWKONQL-UHFFFAOYSA-N	-1	1	371.301	2.772	50	5		FFBAMM
COCCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1C	ZINC000032831054	506302176	/nfs/dbraw/zinc/30/21/76/506302176.db2.gz	OQOLNRBXWNXOIZ-UHFFFAOYSA-N	-1	1	366.395	2.729	50	5		FFBAMM
O=C1NCCCC[C@H]1[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000004306703	506369438	/nfs/dbraw/zinc/36/94/38/506369438.db2.gz	HHYZNTQFJBNUSS-MRVPVSSYSA-N	-1	1	362.264	2.602	50	5		FFBAMM
Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1	ZINC000004697951	506387459	/nfs/dbraw/zinc/38/74/59/506387459.db2.gz	OOEBNMJGVIVEST-UHFFFAOYSA-N	-1	1	358.379	2.890	50	5		FFBAMM
CC(C)(C)c1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccco2)cc1[N+](=O)[O-]	ZINC000009513810	506700942	/nfs/dbraw/zinc/70/09/42/506700942.db2.gz	CYAHPEFWUCDKPV-UHFFFAOYSA-N	-1	1	374.349	2.599	50	5		FFBAMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCCO2	ZINC000012521250	210962746	/nfs/dbraw/zinc/96/27/46/210962746.db2.gz	BHBSQFNQIDRFHE-UHFFFAOYSA-N	-1	1	364.379	2.865	50	5		FFBAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-]	ZINC000006623217	506492366	/nfs/dbraw/zinc/49/23/66/506492366.db2.gz	YGGOVHKLKZFZRI-UHFFFAOYSA-N	-1	1	364.379	2.865	50	5		FFBAMM
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000008941976	506674000	/nfs/dbraw/zinc/67/40/00/506674000.db2.gz	MEYXBNNMLKQMRV-UHFFFAOYSA-N	-1	1	356.165	2.862	50	5		FFBAMM
CCN(CC)c1nc([O-])c(CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])s1	ZINC000012687106	506889225	/nfs/dbraw/zinc/88/92/25/506889225.db2.gz	FDKBBGVSPBVJBT-CYBMUJFWSA-N	-1	1	364.427	2.572	50	5		FFBAMM
CCOCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1	ZINC000002878132	506300226	/nfs/dbraw/zinc/30/02/26/506300226.db2.gz	CHILFLZIVMMDKP-UHFFFAOYSA-N	-1	1	356.791	2.931	50	5		FFBAMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(=O)sc2c1	ZINC000004148308	506362450	/nfs/dbraw/zinc/36/24/50/506362450.db2.gz	ZOZOTONYJBKVLQ-UHFFFAOYSA-N	-1	1	366.376	2.872	50	5		FFBAMM
CCOc1cc(C(=O)[N-]c2nnc(C3CC3)s2)c([N+](=O)[O-])cc1OC	ZINC000009913920	506718112	/nfs/dbraw/zinc/71/81/12/506718112.db2.gz	YSQBCPYCCZMORO-UHFFFAOYSA-N	-1	1	364.383	2.983	50	5		FFBAMM
CSc1nc(C)c(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(=O)[n-]1	ZINC000012756823	220025882	/nfs/dbraw/zinc/02/58/82/220025882.db2.gz	QWEVXUFNEJYKTM-UHFFFAOYSA-N	-1	1	362.411	2.588	50	5		FFBAMM
Nc1cc(=O)[n-]c(SCc2cc(=O)oc3ccc4ccccc4c23)n1	ZINC000003449534	263329596	/nfs/dbraw/zinc/32/95/96/263329596.db2.gz	ZZLFGECKILMNMT-UHFFFAOYSA-N	-1	1	351.387	2.904	50	5		FFBAMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc[nH]c3c2)c(Cl)c1	ZINC000328595699	534882956	/nfs/dbraw/zinc/88/29/56/534882956.db2.gz	BDHZSQXRSIPPQL-UHFFFAOYSA-N	-1	1	352.759	2.925	50	5		FFBAMM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F	ZINC000055554875	221071534	/nfs/dbraw/zinc/07/15/34/221071534.db2.gz	NQCKPWZJCWFOCG-UHFFFAOYSA-N	-1	1	362.285	2.822	50	5		FFBAMM
COC(=O)C1=C(C)Nc2[nH]c(=S)[n-]c(=O)c2[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000028294254	507719222	/nfs/dbraw/zinc/71/92/22/507719222.db2.gz	QWOMQZZKLYJBKI-NSHDSACASA-N	-1	1	374.378	2.757	50	5		FFBAMM
CCN1CCc2c(sc3c2C(=O)N[C@H](c2cc([O-])ccc2[N+](=O)[O-])N3)C1	ZINC000006594375	506490895	/nfs/dbraw/zinc/49/08/95/506490895.db2.gz	SVVGNZYPGCJDLE-HNNXBMFYSA-N	-1	1	374.422	2.594	50	5		FFBAMM
O=C1NCCCC[C@@H]1[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000004306705	506369622	/nfs/dbraw/zinc/36/96/22/506369622.db2.gz	HHYZNTQFJBNUSS-QMMMGPOBSA-N	-1	1	362.264	2.602	50	5		FFBAMM
COc1cc(C(=O)[N-]c2nnc(C3CC3)s2)c([N+](=O)[O-])cc1OC	ZINC000009912083	506718250	/nfs/dbraw/zinc/71/82/50/506718250.db2.gz	YYGZNUDYLFPQLA-UHFFFAOYSA-N	-1	1	350.356	2.593	50	5		FFBAMM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OC(C)C	ZINC000009234993	204359059	/nfs/dbraw/zinc/35/90/59/204359059.db2.gz	IQDHVHBUPVGLOE-SOFGYWHQSA-N	-1	1	361.354	2.740	50	5		FFBAMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C	ZINC000005000154	506414223	/nfs/dbraw/zinc/41/42/23/506414223.db2.gz	WGMYNIRRKXOJCE-UHFFFAOYSA-N	-1	1	364.379	2.799	50	5		FFBAMM
CCn1c(=O)c2ccccc2c2c([O-])nc(-c3cccc([N+](=O)[O-])c3)n21	ZINC000102224308	570829340	/nfs/dbraw/zinc/82/93/40/570829340.db2.gz	UNDAOYKJLGZTDW-UHFFFAOYSA-N	-1	1	350.334	2.950	50	5		FFBAMM
CCSc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1	ZINC000002187081	204028365	/nfs/dbraw/zinc/02/83/65/204028365.db2.gz	CAAOMJNRPWTFSC-UHFFFAOYSA-N	-1	1	355.357	2.719	50	5		FFBAMM
O=C(Nc1ncc([N+](=O)[O-])s1)c1c[n-]c2ccc(Cl)cc2c1=O	ZINC000044900584	205113458	/nfs/dbraw/zinc/11/34/58/205113458.db2.gz	FBSSRYVMSYRDAD-UHFFFAOYSA-N	-1	1	350.743	2.799	50	5		FFBAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1	ZINC000004980369	204182382	/nfs/dbraw/zinc/18/23/82/204182382.db2.gz	ZWTKBORAWASERZ-UHFFFAOYSA-N	-1	1	352.368	2.803	50	5		FFBAMM
O=C1CCCN1c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000005329210	206193945	/nfs/dbraw/zinc/19/39/45/206193945.db2.gz	NPLHSDQVHDATNM-UHFFFAOYSA-N	-1	1	361.379	2.522	50	5		FFBAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])n1	ZINC000015587204	206315423	/nfs/dbraw/zinc/31/54/23/206315423.db2.gz	CDHQHDBFOWOATK-UHFFFAOYSA-N	-1	1	362.411	2.670	50	5		FFBAMM
O=C(NCCc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000008389562	204330283	/nfs/dbraw/zinc/33/02/83/204330283.db2.gz	YZQYMLKLIAZACS-UHFFFAOYSA-N	-1	1	356.165	2.562	50	5		FFBAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1	ZINC000016045971	206317702	/nfs/dbraw/zinc/31/77/02/206317702.db2.gz	JJRHSIQSFHFFPX-UHFFFAOYSA-N	-1	1	362.411	2.670	50	5		FFBAMM
COc1cc(C=C2NC(=S)[N-]C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000001029135	506243958	/nfs/dbraw/zinc/24/39/58/506243958.db2.gz	KJNJOHKKTPLNHY-IZZDOVSWSA-N	-1	1	372.362	2.547	50	5		FFBAMM
COc1ccccc1C(=O)C=C([O-])C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000101354939	508241438	/nfs/dbraw/zinc/24/14/38/508241438.db2.gz	VVGVCIFTQLNLOQ-UHFFFAOYSA-N	-1	1	356.334	2.692	50	5		FFBAMM
O=C(Nn1cn[n-]c1=S)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	ZINC000009221254	204358202	/nfs/dbraw/zinc/35/82/02/204358202.db2.gz	GINDEHAVIABJMX-UHFFFAOYSA-N	-1	1	356.367	2.976	50	5		FFBAMM
O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(=O)[n-]c(-c3ccccc3)nc2N1	ZINC000008738975	204342406	/nfs/dbraw/zinc/34/24/06/204342406.db2.gz	HGFXAXKLPATAKY-AWEZNQCLSA-N	-1	1	362.345	2.819	50	5		FFBAMM
CS(=O)(=O)[N-]c1ccc(Oc2ccc([N+](=O)[O-])c3cccnc23)cn1	ZINC000225533361	509375925	/nfs/dbraw/zinc/37/59/25/509375925.db2.gz	MUVXDNKLVZNSND-UHFFFAOYSA-N	-1	1	360.351	2.702	50	5		FFBAMM
CC(C)OC(=O)C[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000252548724	509850815	/nfs/dbraw/zinc/85/08/15/509850815.db2.gz	QHPSFQQASBMXOE-UHFFFAOYSA-N	-1	1	351.237	2.885	50	5		FFBAMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)ccc1Cl	ZINC000007052131	206244071	/nfs/dbraw/zinc/24/40/71/206244071.db2.gz	ACRXDXOPEKGWON-UHFFFAOYSA-N	-1	1	370.770	2.820	50	5		FFBAMM
Cc1cc(C)c(NC(=O)CSc2nc(C)c(C)c(=O)[n-]2)c([N+](=O)[O-])c1	ZINC000014943629	507007153	/nfs/dbraw/zinc/00/71/53/507007153.db2.gz	CXLPNDLYRQZJLD-UHFFFAOYSA-N	-1	1	362.411	2.643	50	5		FFBAMM
COc1cccc(C(=O)C=C([O-])C(=O)Nc2cccc([N+](=O)[O-])c2C)c1	ZINC000101354952	209223988	/nfs/dbraw/zinc/22/39/88/209223988.db2.gz	CFDNRYJGWXENIR-UHFFFAOYSA-N	-1	1	356.334	2.692	50	5		FFBAMM
COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)cc1[N+](=O)[O-]	ZINC000008110001	207219832	/nfs/dbraw/zinc/21/98/32/207219832.db2.gz	IISDVUGHKZAIHT-UHFFFAOYSA-N	-1	1	363.351	2.854	50	5		FFBAMM
CCOC([O-])=NC(=O)c1ccsc1NC(=O)c1ccc([N+](=O)[O-])s1	ZINC000009722611	506708707	/nfs/dbraw/zinc/70/87/07/506708707.db2.gz	ISLJZDYAPAUORR-UHFFFAOYSA-N	-1	1	369.380	2.856	50	5		FFBAMM
O=C(Cc1ccccc1[N+](=O)[O-])OCc1cc(=O)oc2cc([O-])ccc12	ZINC000007780906	207207752	/nfs/dbraw/zinc/20/77/52/207207752.db2.gz	YFEKUDHUKPEXNH-UHFFFAOYSA-N	-1	1	355.302	2.693	50	5		FFBAMM
O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NOC2=C([O-])N1c1ccccc1Cl	ZINC000103889824	508323763	/nfs/dbraw/zinc/32/37/63/508323763.db2.gz	HQLLCKYHWPVNOU-DZGCQCFKSA-N	-1	1	371.736	2.541	50	5		FFBAMM
CC[C@H](C)Oc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1OC	ZINC000009010327	506677581	/nfs/dbraw/zinc/67/75/81/506677581.db2.gz	WLSHSLYCMIQQFC-PCGIRMHASA-N	-1	1	361.354	2.740	50	5		FFBAMM
O=C([O-])c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000020219103	211273124	/nfs/dbraw/zinc/27/31/24/211273124.db2.gz	WADZTWKEIJQZED-UHFFFAOYSA-N	-1	1	356.743	2.747	50	5		FFBAMM
CCCOc1cc([N-]S(=O)(=O)c2ccc(N)cc2)cc([N+](=O)[O-])c1	ZINC000096319151	222114447	/nfs/dbraw/zinc/11/44/47/222114447.db2.gz	IOOVWKCMWKTAGE-UHFFFAOYSA-N	-1	1	351.384	2.767	50	5		FFBAMM
COC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1	ZINC000004263273	506368474	/nfs/dbraw/zinc/36/84/74/506368474.db2.gz	BKDQBVAUBLOYDY-UHFFFAOYSA-N	-1	1	364.379	2.799	50	5		FFBAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1OC	ZINC000007405694	506559882	/nfs/dbraw/zinc/55/98/82/506559882.db2.gz	VKZFWEVPJAIIDZ-UHFFFAOYSA-N	-1	1	356.331	2.552	50	5		FFBAMM
Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225708025	509383398	/nfs/dbraw/zinc/38/33/98/509383398.db2.gz	GCOHWULTZHLYCU-UHFFFAOYSA-N	-1	1	355.303	2.751	50	5		FFBAMM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1F	ZINC000003399203	210473766	/nfs/dbraw/zinc/47/37/66/210473766.db2.gz	XWJGBHHMPXGZMH-UHFFFAOYSA-N	-1	1	368.342	2.696	50	5		FFBAMM
O=C1[C@H]2C(c3cccc([N+](=O)[O-])c3)=NOC2=C([O-])N1c1ccc(Cl)cc1	ZINC000103559623	222337868	/nfs/dbraw/zinc/33/78/68/222337868.db2.gz	ZHUAXXIMKWNYMN-DZGCQCFKSA-N	-1	1	371.736	2.541	50	5		FFBAMM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(-n2cccn2)c1	ZINC000048355186	221009786	/nfs/dbraw/zinc/00/97/86/221009786.db2.gz	CZFHFVWRSMXAMD-UHFFFAOYSA-N	-1	1	358.379	2.890	50	5		FFBAMM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OC(F)F)ccc1[O-]	ZINC000034878945	506372176	/nfs/dbraw/zinc/37/21/76/506372176.db2.gz	PSPBSQFRKCRMSX-UHFFFAOYSA-N	-1	1	360.294	2.703	50	5		FFBAMM
O=C1[N-]C(=S)NC(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@H]12	ZINC000009009367	506677410	/nfs/dbraw/zinc/67/74/10/506677410.db2.gz	IJBKDEZOSVNXCY-ZDUSSCGKSA-N	-1	1	374.422	2.669	50	5		FFBAMM
O=C1[N-]C(=S)NC(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@H]12	ZINC000009009367	506677417	/nfs/dbraw/zinc/67/74/17/506677417.db2.gz	IJBKDEZOSVNXCY-ZDUSSCGKSA-N	-1	1	374.422	2.669	50	5		FFBAMM
O=C1[N-]C(=S)NC1=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000015220082	220149827	/nfs/dbraw/zinc/14/98/27/220149827.db2.gz	JXQBSAJWWSYQLE-ZROIWOOFSA-N	-1	1	355.375	2.519	50	5		FFBAMM
COc1ccc(Oc2ccc(/C=C3/NC(=S)[N-]C3=O)cc2[N+](=O)[O-])cc1	ZINC000102988473	977421506	/nfs/dbraw/zinc/42/15/06/977421506.db2.gz	IPSZERRUGPVSQK-MDWZMJQESA-N	-1	1	371.374	2.741	50	5		FFBAMM
CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000009216966	506687701	/nfs/dbraw/zinc/68/77/01/506687701.db2.gz	NBXMUWJXEMMEOS-UHFFFAOYSA-N	-1	1	356.165	2.862	50	5		FFBAMM
COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1OC	ZINC000001120463	263142773	/nfs/dbraw/zinc/14/27/73/263142773.db2.gz	VQAHPNAXXUEGTR-UHFFFAOYSA-N	-1	1	352.368	2.721	50	5		FFBAMM
Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)n[nH]1	ZINC000040152672	506475249	/nfs/dbraw/zinc/47/52/49/506475249.db2.gz	BQPWAVKSDSMLCD-UHFFFAOYSA-N	-1	1	373.394	2.798	50	5		FFBAMM
CCn1c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c(=O)c2ccccc21	ZINC000006830290	506509893	/nfs/dbraw/zinc/50/98/93/506509893.db2.gz	KRWGHFHVAUZIFB-UHFFFAOYSA-N	-1	1	369.333	2.593	50	5		FFBAMM
CCn1c(=O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c([O-])c2ccccc21	ZINC000006830290	506509897	/nfs/dbraw/zinc/50/98/97/506509897.db2.gz	KRWGHFHVAUZIFB-UHFFFAOYSA-N	-1	1	369.333	2.593	50	5		FFBAMM
O=c1oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2s1	ZINC000003893932	506351578	/nfs/dbraw/zinc/35/15/78/506351578.db2.gz	APMLNRWZQCEEDI-UHFFFAOYSA-N	-1	1	352.349	2.564	50	5		FFBAMM
Cn1c2ccccc2nc1SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1	ZINC000012537807	220004822	/nfs/dbraw/zinc/00/48/22/220004822.db2.gz	RFTJITLLQOSGHX-UHFFFAOYSA-N	-1	1	370.390	2.530	50	5		FFBAMM
Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-]	ZINC000007357431	506556410	/nfs/dbraw/zinc/55/64/10/506556410.db2.gz	GDNRRFLZGGODMP-UHFFFAOYSA-N	-1	1	361.301	2.997	50	5		FFBAMM