smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)CC1	ZINC000011951213	539539519	/nfs/dbraw/zinc/53/95/19/539539519.db2.gz	RZESJOVFEBGMJD-UHFFFAOYSA-N	-1	3	371.397	2.090	50	5		FEBAHM
O=C(Cc1ccc([N+](=O)[O-])cc1)N1NC(C2CC2)=C[C@@]1([O-])C(F)(F)F	ZINC000004178866	204125919	/nfs/dbraw/zinc/12/59/19/204125919.db2.gz	HEYGJZZOLIXJPR-CQSZACIVSA-N	-1	3	357.288	2.387	50	5		FEBAHM
CC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC1	ZINC000032916562	539959520	/nfs/dbraw/zinc/95/95/20/539959520.db2.gz	IZEKFGCDYAWSRT-LBPRGKRZSA-N	-1	3	361.851	2.401	50	5		FEBAHM
CC(C)(C)c1cc([N-]C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N)on1	ZINC000005260134	206191130	/nfs/dbraw/zinc/19/11/30/206191130.db2.gz	GKCKWFXTFPGSAD-UHFFFAOYSA-N	-1	3	362.342	2.258	50	5		FEBAHM
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(c3ccc(F)cc3)=NOC2=C1[O-]	ZINC000101172462	543026468	/nfs/dbraw/zinc/02/64/68/543026468.db2.gz	DJVBVKDGXSKYIZ-ZBFHGGJFSA-N	-1	3	369.308	2.335	50	5		FEBAHM
Cc1cc([N+](=O)[O-])ccc1-n1c([O-])c2onc(-c3ccc(F)cc3)c2c1O	ZINC000101172462	543026470	/nfs/dbraw/zinc/02/64/70/543026470.db2.gz	DJVBVKDGXSKYIZ-ZBFHGGJFSA-N	-1	3	369.308	2.335	50	5		FEBAHM
C[C@H]1CN(c2nc([N-]c3ccccc3F)nc(N)c2[N+](=O)[O-])C[C@H](C)O1	ZINC000009350170	539501744	/nfs/dbraw/zinc/50/17/44/539501744.db2.gz	GOKVPBGLAKANAX-UWVGGRQHSA-N	-1	3	362.365	2.463	50	5		FEBAHM
COc1ccc(NC(=O)c2n[n-]c([N+](=O)[O-])c2Br)cc1OC	ZINC000000998921	539337279	/nfs/dbraw/zinc/33/72/79/539337279.db2.gz	BRGJIZMWGWLMOL-UHFFFAOYSA-N	-1	3	371.147	2.350	50	5		FEBAHM
COc1ccc(NC(=O)c2[n-]nc([N+](=O)[O-])c2Br)cc1OC	ZINC000000998921	539337284	/nfs/dbraw/zinc/33/72/84/539337284.db2.gz	BRGJIZMWGWLMOL-UHFFFAOYSA-N	-1	3	371.147	2.350	50	5		FEBAHM
CCc1cc(N(C)C[C@H](C)c2nnn[n-]2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000095941779	542983575	/nfs/dbraw/zinc/98/35/75/542983575.db2.gz	NMEAJTQJIPCBGC-NSHDSACASA-N	-1	3	368.401	2.367	50	5		FEBAHM
CCc1cc(N(C)C[C@H](C)c2nn[n-]n2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000095941779	542983578	/nfs/dbraw/zinc/98/35/78/542983578.db2.gz	NMEAJTQJIPCBGC-NSHDSACASA-N	-1	3	368.401	2.367	50	5		FEBAHM
CN(C)[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000010335362	204012039	/nfs/dbraw/zinc/01/20/39/204012039.db2.gz	YEAIJGNKFVYBPL-HNNXBMFYSA-N	-1	3	367.402	2.315	50	5		FEBAHM
CCCCCCC(=O)Nc1cc2nc3[nH]c(=O)[n-]c(=O)c3nc2cc1C	ZINC000006818702	204274040	/nfs/dbraw/zinc/27/40/40/204274040.db2.gz	FEDAESAZSRKJEZ-UHFFFAOYSA-N	-1	3	355.398	2.377	50	5		FEBAHM
CCCCN(C)C(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1ccccc1=O	ZINC000012464989	539561351	/nfs/dbraw/zinc/56/13/51/539561351.db2.gz	QCRJZKCDEVGEPX-KRWDZBQOSA-N	-1	3	371.393	2.439	50	5		FEBAHM
CCOc1ncccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000028041821	539824541	/nfs/dbraw/zinc/82/45/41/539824541.db2.gz	SQRBEOPERGKQLK-UHFFFAOYSA-N	-1	3	351.384	2.175	50	5		FEBAHM
Cc1ccc(N2C(=O)[C@H]3C(c4ccc(F)cc4)=NOC3=C2[O-])cc1[N+](=O)[O-]	ZINC000103555639	206234382	/nfs/dbraw/zinc/23/43/82/206234382.db2.gz	BKCHBGKVJZTYME-GOEBONIOSA-N	-1	3	369.308	2.335	50	5		FEBAHM
COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000089919306	542772724	/nfs/dbraw/zinc/77/27/24/542772724.db2.gz	SEZVLXRYHRZOJH-UKRRQHHQSA-N	-1	3	374.390	2.134	50	5		FEBAHM
Cc1csc(CC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1	ZINC000060499025	541114389	/nfs/dbraw/zinc/11/43/89/541114389.db2.gz	QGXIXESMQGBXGZ-UHFFFAOYSA-N	-1	3	355.441	2.498	50	5		FEBAHM
Cc1ccc(NC(=O)CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c([O-])c1	ZINC000009337202	207267400	/nfs/dbraw/zinc/26/74/00/207267400.db2.gz	AUQVLTLPOFVLLS-WEVVVXLNSA-N	-1	3	355.350	2.377	50	5		FEBAHM
C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000072408176	541806357	/nfs/dbraw/zinc/80/63/57/541806357.db2.gz	ZSNBULUWSFJZPS-QWRGUYRKSA-N	-1	3	356.400	2.223	50	5		FEBAHM
O=C([N-]c1ccc2nc3n(c(=O)c2c1)CCCC3)c1ccc([N+](=O)[O-])o1	ZINC000005139861	207082686	/nfs/dbraw/zinc/08/26/86/207082686.db2.gz	ABIJKLYJPULBJR-UHFFFAOYSA-N	-1	3	354.322	2.486	50	5		FEBAHM
CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)N1	ZINC000006394289	207139490	/nfs/dbraw/zinc/13/94/90/207139490.db2.gz	ZXCFRGUOAKYJAF-NOZJJQNGSA-N	-1	3	361.276	2.221	50	5		FEBAHM
Cc1ccc(C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cc1[N+](=O)[O-]	ZINC000040111026	208228837	/nfs/dbraw/zinc/22/88/37/208228837.db2.gz	FKDGYXJZNBNPSW-SFHVURJKSA-N	-1	3	368.349	2.210	50	5		FEBAHM
Cc1ccc(C(=O)[N-]N2C(=O)NC3(CCC(C)CC3)C2=O)cc1[N+](=O)[O-]	ZINC000018023069	539645320	/nfs/dbraw/zinc/64/53/20/539645320.db2.gz	BVLZHDICZVAMIO-UHFFFAOYSA-N	-1	3	360.370	2.049	50	5		FEBAHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCOc2ccccc21	ZINC000030495692	539882667	/nfs/dbraw/zinc/88/26/67/539882667.db2.gz	HWGLDLXPVLHUAS-CYBMUJFWSA-N	-1	3	364.379	2.406	50	5		FEBAHM
CN(C)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1	ZINC000041630854	208287674	/nfs/dbraw/zinc/28/76/74/208287674.db2.gz	SYJGYEWHXFNZFU-UHFFFAOYSA-N	-1	3	361.851	2.401	50	5		FEBAHM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)ccc1Cl	ZINC000004851781	539393699	/nfs/dbraw/zinc/39/36/99/539393699.db2.gz	OTCMEJPVEUKJJB-UHFFFAOYSA-N	-1	3	370.770	2.455	50	5		FEBAHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCOc2ccccc21	ZINC000030495694	539882898	/nfs/dbraw/zinc/88/28/98/539882898.db2.gz	HWGLDLXPVLHUAS-ZDUSSCGKSA-N	-1	3	364.379	2.406	50	5		FEBAHM
CC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC1	ZINC000032916563	539959714	/nfs/dbraw/zinc/95/97/14/539959714.db2.gz	IZEKFGCDYAWSRT-GFCCVEGCSA-N	-1	3	361.851	2.401	50	5		FEBAHM
CCOC(=O)CSc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000008684590	209473071	/nfs/dbraw/zinc/47/30/71/209473071.db2.gz	WBRDCFRCAWSNKK-UHFFFAOYSA-N	-1	3	368.396	2.354	50	5		FEBAHM
COC(=O)c1ccc(NC(=O)c2n[n-]c([N+](=O)[O-])c2Br)cc1	ZINC000005634266	207109182	/nfs/dbraw/zinc/10/91/82/207109182.db2.gz	XEVNEAAEQOMWAP-UHFFFAOYSA-N	-1	3	369.131	2.119	50	5		FEBAHM
COC(=O)c1ccc(NC(=O)c2[n-]nc([N+](=O)[O-])c2Br)cc1	ZINC000005634266	207109185	/nfs/dbraw/zinc/10/91/85/207109185.db2.gz	XEVNEAAEQOMWAP-UHFFFAOYSA-N	-1	3	369.131	2.119	50	5		FEBAHM
O=C([N-]c1ccc(I)cn1)c1ccc([N+](=O)[O-])o1	ZINC000004749184	207046135	/nfs/dbraw/zinc/04/61/35/207046135.db2.gz	NCVZYHXEFKWJSY-UHFFFAOYSA-N	-1	3	359.079	2.440	50	5		FEBAHM
O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000005579467	207107269	/nfs/dbraw/zinc/10/72/69/207107269.db2.gz	OWBOVLKWWZGPEF-UHFFFAOYSA-N	-1	3	363.273	2.103	50	5		FEBAHM
Cc1cc([N-]C(=O)[C@@H](C)N2CCN(c3ccccc3[N+](=O)[O-])CC2)on1	ZINC000014227530	539600208	/nfs/dbraw/zinc/60/02/08/539600208.db2.gz	LPJGJFUAJNXJHZ-CYBMUJFWSA-N	-1	3	359.386	2.040	50	5		FEBAHM
Cc1cc(C)n(C[C@H](C)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000056071947	540699380	/nfs/dbraw/zinc/69/93/80/540699380.db2.gz	LCGVUGOSQOQEGM-LLVKDONJSA-N	-1	3	352.416	2.023	50	5		FEBAHM
CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)N1	ZINC000006394370	207139766	/nfs/dbraw/zinc/13/97/66/207139766.db2.gz	ZXCFRGUOAKYJAF-TVQRCGJNSA-N	-1	3	361.276	2.221	50	5		FEBAHM
COC(=O)c1cc(OC)c(OC)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1	ZINC000008327556	207230311	/nfs/dbraw/zinc/23/03/11/207230311.db2.gz	WJWLSNUVIZKCBA-UHFFFAOYSA-N	-1	3	350.283	2.244	50	5		FEBAHM
Cc1cccc(C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)c1[N+](=O)[O-]	ZINC000040117766	208229305	/nfs/dbraw/zinc/22/93/05/208229305.db2.gz	XYBUOPOUKMXJML-SFHVURJKSA-N	-1	3	368.349	2.210	50	5		FEBAHM
Cc1ccc(N2C(=O)[C@@H]3C(c4ccc(F)cc4)=NOC3=C2[O-])cc1[N+](=O)[O-]	ZINC000103555645	543114246	/nfs/dbraw/zinc/11/42/46/543114246.db2.gz	BKCHBGKVJZTYME-GDBMZVCRSA-N	-1	3	369.308	2.335	50	5		FEBAHM
COc1ccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC	ZINC000000869537	539334905	/nfs/dbraw/zinc/33/49/05/539334905.db2.gz	HDSYWTAQKQHJQM-UHFFFAOYSA-N	-1	3	366.395	2.133	50	5		FEBAHM
Cc1nc(C)c(CCC(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c(=O)[n-]1	ZINC000012767336	539572899	/nfs/dbraw/zinc/57/28/99/539572899.db2.gz	AXMWRTVLBZIZRR-GFCCVEGCSA-N	-1	3	358.398	2.447	50	5		FEBAHM
C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c([N-]c3ccccc3F)n2)C[C@H](C)O1	ZINC000013712266	539590206	/nfs/dbraw/zinc/59/02/06/539590206.db2.gz	DNSFCABQCKQFFC-AOOOYVTPSA-N	-1	3	362.365	2.463	50	5		FEBAHM
O=C(CCCn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccccc1[O-]	ZINC000096232669	222093347	/nfs/dbraw/zinc/09/33/47/222093347.db2.gz	MEMMTDMYAHEXDG-UHFFFAOYSA-N	-1	3	368.349	2.429	50	5		FEBAHM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3Cl)cc2[nH]1	ZINC000225395952	548732501	/nfs/dbraw/zinc/73/25/01/548732501.db2.gz	PFBPCZOSSYBWTL-UHFFFAOYSA-N	-1	3	368.758	2.219	50	5		FEBAHM
CC(C)OCC(=O)[N-]N1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000004528553	539387052	/nfs/dbraw/zinc/38/70/52/539387052.db2.gz	DBFTVUIDFRMXBR-KPKJPENVSA-N	-1	3	365.367	2.087	50	5		FEBAHM
CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)N1	ZINC000006394963	539427553	/nfs/dbraw/zinc/42/75/53/539427553.db2.gz	ZXCFRGUOAKYJAF-ZANVPECISA-N	-1	3	361.276	2.221	50	5		FEBAHM
CCOCCc1nnc([N-]C(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1	ZINC000002875767	539356126	/nfs/dbraw/zinc/35/61/26/539356126.db2.gz	ADJRQRHZRVIOFY-UHFFFAOYSA-N	-1	3	352.372	2.286	50	5		FEBAHM
O=C(Cc1ccc([N+](=O)[O-])cc1)N1NC(C2CC2)=C[C@]1([O-])C(F)(F)F	ZINC000004178868	210514580	/nfs/dbraw/zinc/51/45/80/210514580.db2.gz	HEYGJZZOLIXJPR-AWEZNQCLSA-N	-1	3	357.288	2.387	50	5		FEBAHM
Cc1ccc(N2C(=O)[C@H]3C(c4ccc(F)cc4)=NOC3=C2[O-])cc1[N+](=O)[O-]	ZINC000103555631	222338986	/nfs/dbraw/zinc/33/89/86/222338986.db2.gz	BKCHBGKVJZTYME-HOCLYGCPSA-N	-1	3	369.308	2.335	50	5		FEBAHM
Cc1cc(OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000004248379	539379811	/nfs/dbraw/zinc/37/98/11/539379811.db2.gz	YRNLODGVJNJCBR-UHFFFAOYSA-N	-1	3	353.674	2.372	50	5		FEBAHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C=C([O-])NC(Nc2ccccc2)=N1	ZINC000009192421	539498748	/nfs/dbraw/zinc/49/87/48/539498748.db2.gz	CJNHSOVXQUKXBK-OAHLLOKOSA-N	-1	3	367.365	2.198	50	5		FEBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCN1CCc2ccccc21	ZINC000012537298	539563422	/nfs/dbraw/zinc/56/34/22/539563422.db2.gz	OZPPFAVIJOQAET-UHFFFAOYSA-N	-1	3	361.423	2.326	50	5		FEBAHM
C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000072408177	541806828	/nfs/dbraw/zinc/80/68/28/541806828.db2.gz	ZSNBULUWSFJZPS-GHMZBOCLSA-N	-1	3	356.400	2.223	50	5		FEBAHM
C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2	ZINC000018941113	211200255	/nfs/dbraw/zinc/20/02/55/211200255.db2.gz	JEBHTEWAVQDDAU-LLVKDONJSA-N	-1	3	364.379	2.406	50	5		FEBAHM
Cc1ccc(N2C(=O)[C@@H]3C(c4ccc(F)cc4)=NOC3=C2[O-])cc1[N+](=O)[O-]	ZINC000101194651	222265259	/nfs/dbraw/zinc/26/52/59/222265259.db2.gz	BKCHBGKVJZTYME-ZBFHGGJFSA-N	-1	3	369.308	2.335	50	5		FEBAHM
COc1ccc(C(=O)[N-]n2c(C)nc3ccccc3c2=O)cc1[N+](=O)[O-]	ZINC000005199098	539405424	/nfs/dbraw/zinc/40/54/24/539405424.db2.gz	UQSNNHIUDOTGKC-UHFFFAOYSA-N	-1	3	354.322	2.006	50	5		FEBAHM
O=C(COC(=O)c1ccc([O-])cc1)N1CCCc2cc([N+](=O)[O-])ccc21	ZINC000016743006	539636585	/nfs/dbraw/zinc/63/65/85/539636585.db2.gz	WZFAREXSNBNVTQ-UHFFFAOYSA-N	-1	3	356.334	2.437	50	5		FEBAHM
COc1ccc(OC)c(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000024452266	539731960	/nfs/dbraw/zinc/73/19/60/539731960.db2.gz	LBMUQVWHJCMAJJ-UHFFFAOYSA-N	-1	3	352.368	2.091	50	5		FEBAHM
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(c3ccc(F)cc3)=NOC2=C1[O-]	ZINC000101343105	222270737	/nfs/dbraw/zinc/27/07/37/222270737.db2.gz	DJVBVKDGXSKYIZ-GOEBONIOSA-N	-1	3	369.308	2.335	50	5		FEBAHM
Cc1cc([N+](=O)[O-])ccc1-n1c([O-])c2onc(-c3ccc(F)cc3)c2c1O	ZINC000101343105	222270743	/nfs/dbraw/zinc/27/07/43/222270743.db2.gz	DJVBVKDGXSKYIZ-GOEBONIOSA-N	-1	3	369.308	2.335	50	5		FEBAHM
COc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC	ZINC000003324160	539363980	/nfs/dbraw/zinc/36/39/80/539363980.db2.gz	VJRSRWRYXNKBOX-UHFFFAOYSA-N	-1	3	352.368	2.091	50	5		FEBAHM
C[C@@H]1CN(c2nc([N-]c3ccccc3F)nc(N)c2[N+](=O)[O-])C[C@H](C)O1	ZINC000017246504	539640803	/nfs/dbraw/zinc/64/08/03/539640803.db2.gz	GOKVPBGLAKANAX-AOOOYVTPSA-N	-1	3	362.365	2.463	50	5		FEBAHM
O=c1cc(CO)oc([C@H](Nc2cccc([N+](=O)[O-])c2)c2ccccn2)c1[O-]	ZINC000000937984	219343644	/nfs/dbraw/zinc/34/36/44/219343644.db2.gz	NZSJKINXKPRJRY-MRXNPFEDSA-N	-1	3	369.333	2.342	50	5		FEBAHM
Cc1cc(C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)ccc1[N+](=O)[O-]	ZINC000047167237	540293220	/nfs/dbraw/zinc/29/32/20/540293220.db2.gz	OBMCTEYDTQSCCM-SFHVURJKSA-N	-1	3	368.349	2.210	50	5		FEBAHM
Cc1ccc(-n2c([O-])c3onc(-c4ccc([N+](=O)[O-])cc4)c3c2O)cc1	ZINC000103625445	543115728	/nfs/dbraw/zinc/11/57/28/543115728.db2.gz	FAGLVIMPTPTPBH-HOCLYGCPSA-N	-1	3	351.318	2.196	50	5		FEBAHM
O=C1[C@@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1cccc([N+](=O)[O-])c1	ZINC000103560584	222339715	/nfs/dbraw/zinc/33/97/15/222339715.db2.gz	DPCWFQHMPAMFFM-UKRRQHHQSA-N	-1	3	355.281	2.026	50	5		FEBAHM
CCOc1ccc([N-]C(=S)NC(=O)c2cnn(CC)c2)c([N+](=O)[O-])c1	ZINC000004619416	539389068	/nfs/dbraw/zinc/38/90/68/539389068.db2.gz	VUZQCGGOEMCTMK-UHFFFAOYSA-N	-1	3	363.399	2.337	50	5		FEBAHM
COc1ccc(OC)c([N-]c2nc(N)c([N+](=O)[O-])c(N3CCCC3)n2)c1	ZINC000009350482	210829573	/nfs/dbraw/zinc/82/95/73/210829573.db2.gz	SVLSPTINQOQAHD-UHFFFAOYSA-N	-1	3	360.374	2.328	50	5		FEBAHM
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc([O-])cc1	ZINC000003507636	539368650	/nfs/dbraw/zinc/36/86/50/539368650.db2.gz	MRIWXOYUQLVBQA-SNVBAGLBSA-N	-1	3	360.322	2.493	50	5		FEBAHM
COc1ccc(/C=C/C(=O)Oc2cc(C)[n-]c(=O)c2[N+](=O)[O-])cc1OC	ZINC000013543839	220072268	/nfs/dbraw/zinc/07/22/68/220072268.db2.gz	MGGHACFNPQGVFS-FNORWQNLSA-N	-1	3	360.322	2.228	50	5		FEBAHM
O=C(CC[N-]S(=O)(=O)c1cccs1)OCc1ccc([N+](=O)[O-])cc1	ZINC000006586364	539430397	/nfs/dbraw/zinc/43/03/97/539430397.db2.gz	KSWAORHCJFHWTA-UHFFFAOYSA-N	-1	3	370.408	2.068	50	5		FEBAHM
CS(=O)(=O)[N-]c1cccc(C(=O)OCc2ccccc2[N+](=O)[O-])c1	ZINC000025116518	539749567	/nfs/dbraw/zinc/74/95/67/539749567.db2.gz	QANXVOLKJLIJRZ-UHFFFAOYSA-N	-1	3	350.352	2.323	50	5		FEBAHM
COC(=O)C1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCCC1	ZINC000027972959	539822337	/nfs/dbraw/zinc/82/23/37/539822337.db2.gz	AGGSXKUYNGCHFX-UHFFFAOYSA-N	-1	3	356.400	2.139	50	5		FEBAHM
Cc1ccc([N-]C(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1[N+](=O)[O-]	ZINC000016751778	220193210	/nfs/dbraw/zinc/19/32/10/220193210.db2.gz	YPTZCPOWJVHRNQ-UHFFFAOYSA-N	-1	3	370.774	2.002	50	5		FEBAHM
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000170600247	546163500	/nfs/dbraw/zinc/16/35/00/546163500.db2.gz	KRUQUZJFINKNAM-CYBMUJFWSA-N	-1	3	356.382	2.042	50	5		FEBAHM
COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1sc2ncn(C)c(=O)c2c1C	ZINC000002921615	539356845	/nfs/dbraw/zinc/35/68/45/539356845.db2.gz	PSOWUZQDKNELSL-UHFFFAOYSA-N	-1	3	374.378	2.473	50	5		FEBAHM
Cc1cc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])c(=O)[n-]1	ZINC000004248380	539379615	/nfs/dbraw/zinc/37/96/15/539379615.db2.gz	BBDLIKNWBXBTEI-UHFFFAOYSA-N	-1	3	353.674	2.372	50	5		FEBAHM
CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])N1	ZINC000006394387	539427041	/nfs/dbraw/zinc/42/70/41/539427041.db2.gz	KACKWDABUDXXJT-TVQRCGJNSA-N	-1	3	361.276	2.221	50	5		FEBAHM
CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])N1	ZINC000006394301	539427370	/nfs/dbraw/zinc/42/73/70/539427370.db2.gz	KACKWDABUDXXJT-NOZJJQNGSA-N	-1	3	361.276	2.221	50	5		FEBAHM
Cc1ccc(C)c(-n2c(=O)c3ccc4c(=O)[n-]c(=O)c5ccc(c2=O)c3c45)c1	ZINC000227116791	548750748	/nfs/dbraw/zinc/75/07/48/548750748.db2.gz	JGEOQFSIZRQOLK-UHFFFAOYSA-N	-1	3	370.364	2.198	50	5		FEBAHM
O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000003310705	539362493	/nfs/dbraw/zinc/36/24/93/539362493.db2.gz	ASHQMYGWMFIHSU-RMKNXTFCSA-N	-1	3	352.306	2.189	50	5		FEBAHM
O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cccc2c(=O)[n-][nH]c(=O)c12	ZINC000003310705	539362495	/nfs/dbraw/zinc/36/24/95/539362495.db2.gz	ASHQMYGWMFIHSU-RMKNXTFCSA-N	-1	3	352.306	2.189	50	5		FEBAHM
CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(OC)c([O-])c([N+](=O)[O-])c2)C1	ZINC000004977907	539397869	/nfs/dbraw/zinc/39/78/69/539397869.db2.gz	LFDLSZPMOOMRAR-AWEZNQCLSA-N	-1	3	365.430	2.389	50	5		FEBAHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(CCO)CCCCC1	ZINC000095462030	542972079	/nfs/dbraw/zinc/97/20/79/542972079.db2.gz	PDPSJHUNYPIPPC-UHFFFAOYSA-N	-1	3	372.443	2.215	50	5		FEBAHM
CN(C)[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccco1	ZINC000006530286	539429361	/nfs/dbraw/zinc/42/93/61/539429361.db2.gz	HEBATKRACQCGTB-LBPRGKRZSA-N	-1	3	373.818	2.422	50	5		FEBAHM
Cc1cc([N-]C(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)on1	ZINC000014220802	539599867	/nfs/dbraw/zinc/59/98/67/539599867.db2.gz	FNKWMQYMISYJHC-CYBMUJFWSA-N	-1	3	359.386	2.040	50	5		FEBAHM
CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc([N+](=O)[O-])s2)ccc1F	ZINC000012919564	220043166	/nfs/dbraw/zinc/04/31/66/220043166.db2.gz	BORCSUIUMMIZQO-UHFFFAOYSA-N	-1	3	359.360	2.419	50	5		FEBAHM
C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000107075957	222390266	/nfs/dbraw/zinc/39/02/66/222390266.db2.gz	UDYBCCDHCNHRCR-MJBXVCDLSA-N	-1	3	355.460	2.240	50	5		FEBAHM
C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c([N-]c3ccccc3F)n2)C[C@H](C)O1	ZINC000005054477	539401061	/nfs/dbraw/zinc/40/10/61/539401061.db2.gz	DNSFCABQCKQFFC-UWVGGRQHSA-N	-1	3	362.365	2.463	50	5		FEBAHM
C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000072408175	541806757	/nfs/dbraw/zinc/80/67/57/541806757.db2.gz	ZSNBULUWSFJZPS-MNOVXSKESA-N	-1	3	356.400	2.223	50	5		FEBAHM
O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc([O-])c(Cl)c1	ZINC000002526465	539348684	/nfs/dbraw/zinc/34/86/84/539348684.db2.gz	PQCXVIPXISBFPN-UHFFFAOYSA-N	-1	3	359.725	2.433	50	5	in-vivo	FEBAHM
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1C=C([O-])NC(Nc2ccc(F)cc2)=N1	ZINC000009227048	539499506	/nfs/dbraw/zinc/49/95/06/539499506.db2.gz	XFXAQLCOISKJBP-CQSZACIVSA-N	-1	3	371.328	2.029	50	5		FEBAHM
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C=C([O-])NC(Nc2ccc(F)cc2)=N1	ZINC000009227046	539499937	/nfs/dbraw/zinc/49/99/37/539499937.db2.gz	XFXAQLCOISKJBP-AWEZNQCLSA-N	-1	3	371.328	2.029	50	5		FEBAHM
CCCCN(C)C(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1ccccc1=O	ZINC000012464985	539561112	/nfs/dbraw/zinc/56/11/12/539561112.db2.gz	QCRJZKCDEVGEPX-QGZVFWFLSA-N	-1	3	371.393	2.439	50	5		FEBAHM
CS(=O)(=O)[N-]c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1F	ZINC000012912997	220042336	/nfs/dbraw/zinc/04/23/36/220042336.db2.gz	XASCIBBAHOPQPC-UHFFFAOYSA-N	-1	3	353.331	2.358	50	5		FEBAHM
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(c3ccc(F)cc3)=NOC2=C1[O-]	ZINC000101343699	222270060	/nfs/dbraw/zinc/27/00/60/222270060.db2.gz	HDHFHLPFEOKSPN-GOEBONIOSA-N	-1	3	369.308	2.335	50	5		FEBAHM
O=C(CCCn1cnc([N+](=O)[O-])n1)Nc1cc(Br)ccc1[O-]	ZINC000004873969	204171626	/nfs/dbraw/zinc/17/16/26/204171626.db2.gz	OWQNOVHHHICCRX-UHFFFAOYSA-N	-1	3	370.163	2.073	50	5		FEBAHM
COC(=O)c1c([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])sc2c1CCCC2	ZINC000006265871	204243356	/nfs/dbraw/zinc/24/33/56/204243356.db2.gz	YMHRQCRWXHSTLI-UHFFFAOYSA-N	-1	3	350.356	2.297	50	5		FEBAHM
CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])N1	ZINC000006394980	204246968	/nfs/dbraw/zinc/24/69/68/204246968.db2.gz	KACKWDABUDXXJT-ZANVPECISA-N	-1	3	361.276	2.221	50	5		FEBAHM
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000058266069	205268926	/nfs/dbraw/zinc/26/89/26/205268926.db2.gz	IGWDIJAUDFOABD-UHFFFAOYSA-N	-1	3	370.365	2.290	50	5		FEBAHM
CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1F	ZINC000013003017	206299346	/nfs/dbraw/zinc/29/93/46/206299346.db2.gz	XMGVQBBNCSPXDY-UHFFFAOYSA-N	-1	3	353.331	2.358	50	5		FEBAHM
O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1ccc(Br)cc1	ZINC000020031427	539671553	/nfs/dbraw/zinc/67/15/53/539671553.db2.gz	CKEMJXYQWWJVOV-UHFFFAOYSA-N	-1	3	373.188	2.058	50	5		FEBAHM
COc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000024882225	539743877	/nfs/dbraw/zinc/74/38/77/539743877.db2.gz	YYHOFTKWBFVLGI-UHFFFAOYSA-N	-1	3	365.367	2.227	50	5		FEBAHM
Cc1nc(C)c(CCC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(=O)[n-]1	ZINC000012767341	204493192	/nfs/dbraw/zinc/49/31/92/204493192.db2.gz	AXMWRTVLBZIZRR-LBPRGKRZSA-N	-1	3	358.398	2.447	50	5		FEBAHM
CCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2cccc([N+](=O)[O-])c2)n1	ZINC000016752993	539636519	/nfs/dbraw/zinc/63/65/19/539636519.db2.gz	YUQZZUZYMNVUTB-UHFFFAOYSA-N	-1	3	370.774	2.084	50	5		FEBAHM
C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2	ZINC000018941114	539649787	/nfs/dbraw/zinc/64/97/87/539649787.db2.gz	JEBHTEWAVQDDAU-NSHDSACASA-N	-1	3	364.379	2.406	50	5		FEBAHM
Cc1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c([N+](=O)[O-])c(=O)[n-]1	ZINC000004248381	206173016	/nfs/dbraw/zinc/17/30/16/206173016.db2.gz	IZKDCHJSGDRDNV-UHFFFAOYSA-N	-1	3	353.674	2.372	50	5		FEBAHM
Cc1ccc(-n2c([O-])c3onc(-c4ccc([N+](=O)[O-])cc4)c3c2O)cc1	ZINC000100873439	543025879	/nfs/dbraw/zinc/02/58/79/543025879.db2.gz	FAGLVIMPTPTPBH-ZBFHGGJFSA-N	-1	3	351.318	2.196	50	5		FEBAHM
Cc1cc([N-]C(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)on1	ZINC000014220804	539600233	/nfs/dbraw/zinc/60/02/33/539600233.db2.gz	FNKWMQYMISYJHC-ZDUSSCGKSA-N	-1	3	359.386	2.040	50	5		FEBAHM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C(N)=O)CCCCC3)n1	ZINC000002115145	204026346	/nfs/dbraw/zinc/02/63/46/204026346.db2.gz	IPVGORPEALLZBK-UHFFFAOYSA-N	-1	3	363.399	2.010	50	5		FEBAHM
COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000089919308	542773077	/nfs/dbraw/zinc/77/30/77/542773077.db2.gz	SEZVLXRYHRZOJH-DZGCQCFKSA-N	-1	3	374.390	2.134	50	5		FEBAHM
C[C@@H](OC(=O)c1cc(Cl)[n-]c(=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000096007138	542987297	/nfs/dbraw/zinc/98/72/97/542987297.db2.gz	CEVWXONMDHQEDY-MRVPVSSYSA-N	-1	3	365.729	2.121	50	5		FEBAHM
O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc([O-])cc1O	ZINC000007779850	206210247	/nfs/dbraw/zinc/21/02/47/206210247.db2.gz	BQUNVRKKGOPKNC-UHFFFAOYSA-N	-1	3	357.278	2.413	50	5		FEBAHM
O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cccnc1-n1cccn1	ZINC000095452956	542971014	/nfs/dbraw/zinc/97/10/14/542971014.db2.gz	WLBWCDPGOARVDF-UHFFFAOYSA-N	-1	3	373.394	2.160	50	5		FEBAHM
Cn1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c2c1NC(=O)C[C@@H]2c1ccco1	ZINC000035597898	204329158	/nfs/dbraw/zinc/32/91/58/204329158.db2.gz	FDZAHGMXCUJCSD-MRVPVSSYSA-N	-1	3	371.309	2.241	50	5		FEBAHM
Cn1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c2c1NC(=O)C[C@H]2c1ccco1	ZINC000035597897	204329178	/nfs/dbraw/zinc/32/91/78/204329178.db2.gz	FDZAHGMXCUJCSD-QMMMGPOBSA-N	-1	3	371.309	2.241	50	5		FEBAHM
CN(C)S(=O)(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)ccc1Cl	ZINC000005853281	204227477	/nfs/dbraw/zinc/22/74/77/204227477.db2.gz	CERRSJJWHUZMDY-UHFFFAOYSA-N	-1	3	373.774	2.344	50	5		FEBAHM
Cc1ccc(NC2=N[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)C=C([O-])N2)cc1	ZINC000009192444	204357111	/nfs/dbraw/zinc/35/71/11/204357111.db2.gz	BDPRWNIZCFONPX-HNNXBMFYSA-N	-1	3	367.365	2.198	50	5		FEBAHM
COCCSc1nnc([N-]C(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1	ZINC000002865417	204063075	/nfs/dbraw/zinc/06/30/75/204063075.db2.gz	LPLGNCFAQKGPKW-UHFFFAOYSA-N	-1	3	370.412	2.446	50	5		FEBAHM
CCCOC(=O)CCC(=O)NC(=S)[N-]c1ccc(OC)cc1[N+](=O)[O-]	ZINC000012137461	207341667	/nfs/dbraw/zinc/34/16/67/207341667.db2.gz	BSCHGLRJHDNOHW-UHFFFAOYSA-N	-1	3	369.399	2.150	50	5		FEBAHM
Cc1cccc(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)c1[N+](=O)[O-]	ZINC000040117764	208229866	/nfs/dbraw/zinc/22/98/66/208229866.db2.gz	XYBUOPOUKMXJML-GOSISDBHSA-N	-1	3	368.349	2.210	50	5		FEBAHM
CCc1cc(N(C)C[C@@H](C)c2nnn[n-]2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000095941778	209088549	/nfs/dbraw/zinc/08/85/49/209088549.db2.gz	NMEAJTQJIPCBGC-LLVKDONJSA-N	-1	3	368.401	2.367	50	5		FEBAHM
CCc1cc(N(C)C[C@@H](C)c2nn[n-]n2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000095941778	209088551	/nfs/dbraw/zinc/08/85/51/209088551.db2.gz	NMEAJTQJIPCBGC-LLVKDONJSA-N	-1	3	368.401	2.367	50	5		FEBAHM
O=c1[n-]c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2ccsc21	ZINC000021848488	539687809	/nfs/dbraw/zinc/68/78/09/539687809.db2.gz	HEJGJNNOMDUCOL-UHFFFAOYSA-N	-1	3	371.422	2.215	50	5		FEBAHM
Cc1cc(C)n(C[C@@H](C)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000056071946	540699608	/nfs/dbraw/zinc/69/96/08/540699608.db2.gz	LCGVUGOSQOQEGM-NSHDSACASA-N	-1	3	352.416	2.023	50	5		FEBAHM
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(c3ccc(F)cc3)=NOC2=C1[O-]	ZINC000101343106	209224460	/nfs/dbraw/zinc/22/44/60/209224460.db2.gz	DJVBVKDGXSKYIZ-GDBMZVCRSA-N	-1	3	369.308	2.335	50	5		FEBAHM
Cc1cc([N+](=O)[O-])ccc1-n1c([O-])c2onc(-c3ccc(F)cc3)c2c1O	ZINC000101343106	209224462	/nfs/dbraw/zinc/22/44/62/209224462.db2.gz	DJVBVKDGXSKYIZ-GDBMZVCRSA-N	-1	3	369.308	2.335	50	5		FEBAHM
CC(=O)[N-]C(NNc1ccc([N+](=O)[O-])cc1)(C(F)(F)F)C(F)(F)F	ZINC000004452564	207019583	/nfs/dbraw/zinc/01/95/83/207019583.db2.gz	HHJHWNXMLYURII-UHFFFAOYSA-N	-1	3	360.214	2.468	50	5		FEBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1nc(-c2ccccc2)no1	ZINC000006758945	207161808	/nfs/dbraw/zinc/16/18/08/207161808.db2.gz	MDAVIJCQIQISEB-UHFFFAOYSA-N	-1	3	360.351	2.123	50	5		FEBAHM
CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(OC)c([O-])c([N+](=O)[O-])c2)C1	ZINC000004977901	207068236	/nfs/dbraw/zinc/06/82/36/207068236.db2.gz	LFDLSZPMOOMRAR-CQSZACIVSA-N	-1	3	365.430	2.389	50	5		FEBAHM
COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000089919307	542773105	/nfs/dbraw/zinc/77/31/05/542773105.db2.gz	SEZVLXRYHRZOJH-ZFWWWQNUSA-N	-1	3	374.390	2.134	50	5		FEBAHM
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(c3ccc(F)cc3)=NOC2=C1[O-]	ZINC000101343700	209223917	/nfs/dbraw/zinc/22/39/17/209223917.db2.gz	HDHFHLPFEOKSPN-GDBMZVCRSA-N	-1	3	369.308	2.335	50	5		FEBAHM
C[C@H](OC(=O)c1cc(Cl)[n-]c(=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000096007137	209095453	/nfs/dbraw/zinc/09/54/53/209095453.db2.gz	CEVWXONMDHQEDY-QMMMGPOBSA-N	-1	3	365.729	2.121	50	5		FEBAHM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1	ZINC000004131090	539377780	/nfs/dbraw/zinc/37/77/80/539377780.db2.gz	QHPKLQMZWGPHLW-UHFFFAOYSA-N	-1	3	353.331	2.493	50	5		FEBAHM
COc1ccc(C(=O)[N-]n2c(C)nc3sccc3c2=O)cc1[N+](=O)[O-]	ZINC000021903974	539688967	/nfs/dbraw/zinc/68/89/67/539688967.db2.gz	IINXENDTIZIYGJ-UHFFFAOYSA-N	-1	3	360.351	2.067	50	5		FEBAHM
C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000075109592	542153168	/nfs/dbraw/zinc/15/31/68/542153168.db2.gz	UDYBCCDHCNHRCR-MGPQQGTHSA-N	-1	3	355.460	2.240	50	5		FEBAHM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000004757089	207046801	/nfs/dbraw/zinc/04/68/01/207046801.db2.gz	LSBPYNCQXJBSCD-UHFFFAOYSA-N	-1	3	365.367	2.227	50	5		FEBAHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C=C([O-])NC(Nc2ccccc2)=N1	ZINC000009192419	207260782	/nfs/dbraw/zinc/26/07/82/207260782.db2.gz	CJNHSOVXQUKXBK-HNNXBMFYSA-N	-1	3	367.365	2.198	50	5		FEBAHM
CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000000803004	539334037	/nfs/dbraw/zinc/33/40/37/539334037.db2.gz	OZSDHSHUMMQUGA-UHFFFAOYSA-N	-1	3	352.372	2.436	50	5		FEBAHM
Cc1c([N-]C(=O)c2ccco2)cc(S(=O)(=O)NC2CC2)cc1[N+](=O)[O-]	ZINC000004717690	207042031	/nfs/dbraw/zinc/04/20/31/207042031.db2.gz	QROATPIVXIMXFX-UHFFFAOYSA-N	-1	3	365.367	2.189	50	5		FEBAHM
O=C(COc1ccccc1[N+](=O)[O-])OCc1nc2ccsc2c(=O)[n-]1	ZINC000007738718	207205204	/nfs/dbraw/zinc/20/52/04/207205204.db2.gz	KNTUFGYUOHBXQH-UHFFFAOYSA-N	-1	3	361.335	2.015	50	5		FEBAHM
O=C([N-]N1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O)c1ccncc1	ZINC000008186108	207222342	/nfs/dbraw/zinc/22/23/42/207222342.db2.gz	QNSHYEYHQVPXEV-UHFFFAOYSA-N	-1	3	362.301	2.084	50	5		FEBAHM
Cc1cc(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)ccc1[N+](=O)[O-]	ZINC000047167236	208373108	/nfs/dbraw/zinc/37/31/08/208373108.db2.gz	OBMCTEYDTQSCCM-GOSISDBHSA-N	-1	3	368.349	2.210	50	5		FEBAHM
O=c1cc(CO)oc([C@H](Nc2ccccn2)c2cccc([N+](=O)[O-])c2)c1[O-]	ZINC000020218797	527479524	/nfs/dbraw/zinc/47/95/24/527479524.db2.gz	ZLMAQVGDJBXEEW-MRXNPFEDSA-N	-1	3	369.333	2.342	50	5		FEBAHM
CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)N1	ZINC000006394881	539426980	/nfs/dbraw/zinc/42/69/80/539426980.db2.gz	ZXCFRGUOAKYJAF-RNCFNFMXSA-N	-1	3	361.276	2.221	50	5		FEBAHM
COC(=O)c1ccc(S(=O)(=O)[N-]C2CCCCCC2)c([N+](=O)[O-])c1	ZINC000032770552	539952062	/nfs/dbraw/zinc/95/20/62/539952062.db2.gz	RZINAIFQAHPBPD-UHFFFAOYSA-N	-1	3	356.400	2.383	50	5		FEBAHM
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc([O-])cc1	ZINC000003507634	539368527	/nfs/dbraw/zinc/36/85/27/539368527.db2.gz	MRIWXOYUQLVBQA-JTQLQIEISA-N	-1	3	360.322	2.493	50	5		FEBAHM
O=C(NC1CCN(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000012779737	539573984	/nfs/dbraw/zinc/57/39/84/539573984.db2.gz	OWFHCTWNIUUZHS-UHFFFAOYSA-N	-1	3	356.382	2.090	50	5		FEBAHM
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000107075960	222389499	/nfs/dbraw/zinc/38/94/99/222389499.db2.gz	UDYBCCDHCNHRCR-MCIONIFRSA-N	-1	3	355.460	2.240	50	5		FEBAHM
O=C([N-]c1nnc(C2CC2)s1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	ZINC000002776617	539352460	/nfs/dbraw/zinc/35/24/60/539352460.db2.gz	RIXBVGJJWDTDOW-UHFFFAOYSA-N	-1	3	360.355	2.414	50	5		FEBAHM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c1	ZINC000004071114	539375110	/nfs/dbraw/zinc/37/51/10/539375110.db2.gz	NSTIMXLDNIPDEP-UHFFFAOYSA-N	-1	3	370.770	2.455	50	5		FEBAHM
C[C@H](CN1C[C@H](C)C[C@H](C)C1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000075109590	542153428	/nfs/dbraw/zinc/15/34/28/542153428.db2.gz	UDYBCCDHCNHRCR-HZSPNIEDSA-N	-1	3	355.460	2.240	50	5		FEBAHM
O=c1ccc([N+](=O)[O-])cn1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1	ZINC000012914959	211007183	/nfs/dbraw/zinc/00/71/83/211007183.db2.gz	VCSHGLRQJBHCOR-UHFFFAOYSA-N	-1	3	370.346	2.363	50	5		FEBAHM
C[C@@H]1CN(c2nc([N-]c3ccccc3F)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1	ZINC000009350172	132846260	/nfs/dbraw/zinc/84/62/60/132846260.db2.gz	GOKVPBGLAKANAX-NXEZZACHSA-N	-1	3	362.365	2.463	50	5		FEBAHM
O=C1[C@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1cccc([N+](=O)[O-])c1	ZINC000103560569	222340024	/nfs/dbraw/zinc/34/00/24/222340024.db2.gz	DPCWFQHMPAMFFM-ZFWWWQNUSA-N	-1	3	355.281	2.026	50	5		FEBAHM
CC[C@@H]1CCc2c(sc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])c2C(N)=O)C1	ZINC000006265726	539423599	/nfs/dbraw/zinc/42/35/99/539423599.db2.gz	DZQVJORXKLHSBI-SSDOTTSWSA-N	-1	3	363.399	2.246	50	5		FEBAHM
Cc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nc(S(C)(=O)=O)ncc1Cl	ZINC000016751769	211168811	/nfs/dbraw/zinc/16/88/11/211168811.db2.gz	WIEUAEZNEANFFC-UHFFFAOYSA-N	-1	3	370.774	2.002	50	5		FEBAHM
O=C1[C@@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1cccc([N+](=O)[O-])c1	ZINC000101100398	222262376	/nfs/dbraw/zinc/26/23/76/222262376.db2.gz	DPCWFQHMPAMFFM-HIFRSBDPSA-N	-1	3	355.281	2.026	50	5		FEBAHM
O=C([N-]c1ncn(Cc2ccccc2)n1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000001908461	539344184	/nfs/dbraw/zinc/34/41/84/539344184.db2.gz	GAVGEYKZINIDLN-UHFFFAOYSA-N	-1	3	368.309	2.395	50	5		FEBAHM
CC[C@H]1CCc2c(sc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])c2C(N)=O)C1	ZINC000006265765	539425122	/nfs/dbraw/zinc/42/51/22/539425122.db2.gz	DZQVJORXKLHSBI-ZETCQYMHSA-N	-1	3	363.399	2.246	50	5		FEBAHM
COC(=O)CCCCCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000046034303	540238514	/nfs/dbraw/zinc/23/85/14/540238514.db2.gz	HERDZKIZNWLMEI-UHFFFAOYSA-N	-1	3	358.416	2.305	50	5		FEBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cnn(-c2ccccc2)c1	ZINC000023437416	211389340	/nfs/dbraw/zinc/38/93/40/211389340.db2.gz	RXBNVWJAHXSXSJ-UHFFFAOYSA-N	-1	3	358.379	2.259	50	5		FEBAHM
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(c3ccc(F)cc3)=NOC2=C1[O-]	ZINC000101343697	222270413	/nfs/dbraw/zinc/27/04/13/222270413.db2.gz	HDHFHLPFEOKSPN-HOCLYGCPSA-N	-1	3	369.308	2.335	50	5		FEBAHM
Cc1cc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])c(=O)[n-]1	ZINC000253405814	549686237	/nfs/dbraw/zinc/68/62/37/549686237.db2.gz	QWZZNMXWHNDEII-ZDUSSCGKSA-N	-1	3	356.382	2.260	50	5		FEBAHM
Cc1nn(C)c(C(=O)NC(=S)[N-]c2ccccc2[N+](=O)[O-])c1Cl	ZINC000005587162	539413149	/nfs/dbraw/zinc/41/31/49/539413149.db2.gz	BYOZIWMVEULKMV-UHFFFAOYSA-N	-1	3	353.791	2.417	50	5		FEBAHM
CC(C)Cc1nnc([N-]C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)s1	ZINC000023078848	539706287	/nfs/dbraw/zinc/70/62/87/539706287.db2.gz	IZJIDGIPZSUCFQ-UHFFFAOYSA-N	-1	3	373.398	2.478	50	5		FEBAHM
CN(C)[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000010335366	210357920	/nfs/dbraw/zinc/35/79/20/210357920.db2.gz	YEAIJGNKFVYBPL-OAHLLOKOSA-N	-1	3	367.402	2.315	50	5		FEBAHM
O=C1[C@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1cccc([N+](=O)[O-])c1	ZINC000103560580	222339793	/nfs/dbraw/zinc/33/97/93/222339793.db2.gz	DPCWFQHMPAMFFM-DZGCQCFKSA-N	-1	3	355.281	2.026	50	5		FEBAHM
Cc1ccc(NC2=N[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)C=C([O-])N2)cc1	ZINC000009192442	539498781	/nfs/dbraw/zinc/49/87/81/539498781.db2.gz	BDPRWNIZCFONPX-OAHLLOKOSA-N	-1	3	367.365	2.198	50	5		FEBAHM
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(c3ccc(F)cc3)=NOC2=C1[O-]	ZINC000101153389	222263590	/nfs/dbraw/zinc/26/35/90/222263590.db2.gz	HDHFHLPFEOKSPN-ZBFHGGJFSA-N	-1	3	369.308	2.335	50	5		FEBAHM
Cc1cc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])c(=O)[n-]1	ZINC000253405812	549686813	/nfs/dbraw/zinc/68/68/13/549686813.db2.gz	QWZZNMXWHNDEII-CYBMUJFWSA-N	-1	3	356.382	2.260	50	5		FEBAHM
CCOC(=O)C(=O)c1csc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1	ZINC000003315670	219498673	/nfs/dbraw/zinc/49/86/73/219498673.db2.gz	UIFZJQQQDWORIQ-UHFFFAOYSA-N	-1	3	355.353	2.111	50	5		FEBAHM
Cc1ccc(-n2c([O-])c3onc(-c4ccc([N+](=O)[O-])cc4)c3c2O)cc1	ZINC000103625453	543115819	/nfs/dbraw/zinc/11/58/19/543115819.db2.gz	FAGLVIMPTPTPBH-GDBMZVCRSA-N	-1	3	351.318	2.196	50	5		FEBAHM
COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000089919305	221744696	/nfs/dbraw/zinc/74/46/96/221744696.db2.gz	SEZVLXRYHRZOJH-HIFRSBDPSA-N	-1	3	374.390	2.134	50	5		FEBAHM
Cc1ccc(NC(=O)CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000005683002	539414812	/nfs/dbraw/zinc/41/48/12/539414812.db2.gz	IUNTUFITWFLIQR-UHFFFAOYSA-N	-1	3	363.395	2.210	50	5		FEBAHM
C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000072408178	541806295	/nfs/dbraw/zinc/80/62/95/541806295.db2.gz	ZSNBULUWSFJZPS-WDEREUQCSA-N	-1	3	356.400	2.223	50	5		FEBAHM
CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])N1	ZINC000006394898	539427194	/nfs/dbraw/zinc/42/71/94/539427194.db2.gz	KACKWDABUDXXJT-RNCFNFMXSA-N	-1	3	361.276	2.221	50	5		FEBAHM
CN(C)[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccco1	ZINC000006530287	539429500	/nfs/dbraw/zinc/42/95/00/539429500.db2.gz	HEBATKRACQCGTB-GFCCVEGCSA-N	-1	3	373.818	2.422	50	5		FEBAHM
O=c1cc(CO)oc([C@@H](Nc2ccccn2)c2cccc([N+](=O)[O-])c2)c1[O-]	ZINC000020218795	527479647	/nfs/dbraw/zinc/47/96/47/527479647.db2.gz	ZLMAQVGDJBXEEW-INIZCTEOSA-N	-1	3	369.333	2.342	50	5		FEBAHM
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ncccc1[O-]	ZINC000009221095	539499311	/nfs/dbraw/zinc/49/93/11/539499311.db2.gz	OFDHWBYLLASEEV-UHFFFAOYSA-N	-1	3	358.310	2.022	50	5		FEBAHM
Cc1cc([N-]C(=O)[C@H](C)N2CCN(c3ccccc3[N+](=O)[O-])CC2)on1	ZINC000014227533	539599664	/nfs/dbraw/zinc/59/96/64/539599664.db2.gz	LPJGJFUAJNXJHZ-ZDUSSCGKSA-N	-1	3	359.386	2.040	50	5		FEBAHM
Cc1ccc(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)cc1[N+](=O)[O-]	ZINC000040111024	220882691	/nfs/dbraw/zinc/88/26/91/220882691.db2.gz	FKDGYXJZNBNPSW-GOSISDBHSA-N	-1	3	368.349	2.210	50	5		FEBAHM
O=C(NCCCNC(=O)c1cccc([O-])c1)Nc1cccc([N+](=O)[O-])c1	ZINC000058180002	221103506	/nfs/dbraw/zinc/10/35/06/221103506.db2.gz	KZGKTNDPCCVXAZ-UHFFFAOYSA-N	-1	3	358.354	2.242	50	5		FEBAHM
O=C(NCCN1CCCOC1=O)c1c[n-]c2c3ccccc3ccc2c1=O	ZINC000221221635	548704292	/nfs/dbraw/zinc/70/42/92/548704292.db2.gz	NJZQHTCLUUHYPJ-UHFFFAOYSA-N	-1	3	365.389	2.253	50	5		FEBAHM
O=C(NCCN1CCCOC1=O)c1cnc2c3ccccc3ccc2c1[O-]	ZINC000221221635	548704296	/nfs/dbraw/zinc/70/42/96/548704296.db2.gz	NJZQHTCLUUHYPJ-UHFFFAOYSA-N	-1	3	365.389	2.253	50	5		FEBAHM
C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c([N-]c3ccccc3F)n2)C[C@@H](C)O1	ZINC000005054480	539401594	/nfs/dbraw/zinc/40/15/94/539401594.db2.gz	DNSFCABQCKQFFC-NXEZZACHSA-N	-1	3	362.365	2.463	50	5		FEBAHM
COC(=O)c1cc(C(=O)[N-]c2n[nH]c(-c3ccccc3)n2)cc([N+](=O)[O-])c1	ZINC000025157352	539750243	/nfs/dbraw/zinc/75/02/43/539750243.db2.gz	RQNJNYQQEUCSIO-UHFFFAOYSA-N	-1	3	367.321	2.419	50	5		FEBAHM
O=c1cc(CO)oc([C@@H](Nc2cccc([N+](=O)[O-])c2)c2ccccn2)c1[O-]	ZINC000000937983	219343802	/nfs/dbraw/zinc/34/38/02/219343802.db2.gz	NZSJKINXKPRJRY-INIZCTEOSA-N	-1	3	369.333	2.342	50	5		FEBAHM
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(c3ccc(F)cc3)=NOC2=C1[O-]	ZINC000101343104	222269658	/nfs/dbraw/zinc/26/96/58/222269658.db2.gz	DJVBVKDGXSKYIZ-HOCLYGCPSA-N	-1	3	369.308	2.335	50	5		FEBAHM
Cc1cc([N+](=O)[O-])ccc1-n1c([O-])c2onc(-c3ccc(F)cc3)c2c1O	ZINC000101343104	222269661	/nfs/dbraw/zinc/26/96/61/222269661.db2.gz	DJVBVKDGXSKYIZ-HOCLYGCPSA-N	-1	3	369.308	2.335	50	5		FEBAHM
Cc1cc([N-]C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)on1	ZINC000010125107	539513271	/nfs/dbraw/zinc/51/32/71/539513271.db2.gz	QQFMAHLFXRHMMZ-UHFFFAOYSA-N	-1	3	374.353	2.287	50	5		FEBAHM
O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1	ZINC000010515995	539518111	/nfs/dbraw/zinc/51/81/11/539518111.db2.gz	DSWKOHDPOFMNNL-UHFFFAOYSA-N	-1	3	357.338	2.263	50	5		FEBAHM