smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN[C@H](C)C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000054076074	348541680	/nfs/dbraw/zinc/54/16/80/348541680.db2.gz	LHJDSLUBSHPLSB-SECBINFHSA-N	0	3	251.286	0.861	10	5		CCBEHN
CC[C@@H](O)CN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1	ZINC000176248389	351164737	/nfs/dbraw/zinc/16/47/37/351164737.db2.gz	VVRKHYSFHNMYFA-GFCCVEGCSA-N	0	3	297.359	0.180	10	5		CCBEHN
O=[N+]([O-])c1cnn(CCN2CCN3CCCC[C@H]3C2)c1	ZINC000248334499	352434926	/nfs/dbraw/zinc/43/49/26/352434926.db2.gz	GDTCBLBZQRNVDC-LBPRGKRZSA-N	0	3	279.344	0.961	10	5		CCBEHN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H](O)CN1	ZINC000037029654	172895467	/nfs/dbraw/zinc/89/54/67/172895467.db2.gz	XRYSUCRCUPDRMM-GXSJLCMTSA-N	0	3	265.269	0.565	10	5		CCBEHN
C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000038079463	174089047	/nfs/dbraw/zinc/08/90/47/174089047.db2.gz	IYVFFNAUUMEHJY-QMMMGPOBSA-N	0	3	253.258	0.437	10	5		CCBEHN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCN(C2CC2)CC1	ZINC000149006465	527370535	/nfs/dbraw/zinc/37/05/35/527370535.db2.gz	GTMOPQYYQVURTF-UHFFFAOYSA-N	0	3	293.327	0.488	10	5		CCBEHN
O=[N+]([O-])c1cccnc1[S@](=O)[C@H]1CCCNC1	ZINC000095091877	349590238	/nfs/dbraw/zinc/59/02/38/349590238.db2.gz	QCZNWFTWNFCLLN-QPFGOUBPSA-N	0	3	255.299	0.849	10	5		CCBEHN
CN(C)[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1	ZINC000133047037	350323210	/nfs/dbraw/zinc/32/32/10/350323210.db2.gz	CGSAVFTVMDXGMX-ZETCQYMHSA-N	0	3	253.262	0.094	10	5		CCBEHN
CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H](CN)C(F)(F)F	ZINC000596000756	360772450	/nfs/dbraw/zinc/77/24/50/360772450.db2.gz	ONNBZGISIXNJJY-SSDOTTSWSA-N	0	3	295.221	0.139	10	5		CCBEHN
O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H](F)CN1	ZINC000188320812	388924051	/nfs/dbraw/zinc/92/40/51/388924051.db2.gz	CUDGVJRZLXNLEX-GXSJLCMTSA-N	0	3	267.260	0.911	10	5		CCBEHN
CNC(=O)CNCCOc1ccc([N+](=O)[O-])cc1	ZINC000038079425	174089537	/nfs/dbraw/zinc/08/95/37/174089537.db2.gz	JBKQGYRBPBRKJP-UHFFFAOYSA-N	0	3	253.258	0.309	10	5		CCBEHN
CN[C@H](CCOc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000062541059	522461351	/nfs/dbraw/zinc/46/13/51/522461351.db2.gz	UHNBGYYEXGEGNL-SNVBAGLBSA-N	0	3	253.258	0.437	10	5		CCBEHN
COCCNC[C@H](O)COc1ccc([N+](=O)[O-])cc1	ZINC000095082307	349589007	/nfs/dbraw/zinc/58/90/07/349589007.db2.gz	NGQCZIRTVKVCMX-NSHDSACASA-N	0	3	270.285	0.571	10	5		CCBEHN
CN(C)C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCO1	ZINC000174851354	351107789	/nfs/dbraw/zinc/10/77/89/351107789.db2.gz	DWHYYUWDRBRGJB-GFCCVEGCSA-N	0	3	283.332	0.054	10	5		CCBEHN
O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN2CCC[C@@H]2C1	ZINC000195334274	351910322	/nfs/dbraw/zinc/91/03/22/351910322.db2.gz	WVLCMGAKOPXYAS-SNVBAGLBSA-N	0	3	279.300	0.098	10	5		CCBEHN
Cc1nn(C)c(C(=O)N2CC[C@H](N(C)C)C2)c1[N+](=O)[O-]	ZINC000408020118	357870443	/nfs/dbraw/zinc/87/04/43/357870443.db2.gz	CJQNYOYRFXWWAD-VIFPVBQESA-N	0	3	281.316	0.413	10	5		CCBEHN
Cn1ncc([N+](=O)[O-])c1N1CCC[C@H](N)[C@@H](F)C1	ZINC000584645360	411833146	/nfs/dbraw/zinc/83/31/46/411833146.db2.gz	ITODKGMPWUTPFP-YUMQZZPRSA-N	0	3	257.269	0.594	10	5		CCBEHN
C[C@H](COc1ccc([N+](=O)[O-])cc1CN)C(N)=O	ZINC000035414507	172188019	/nfs/dbraw/zinc/18/80/19/172188019.db2.gz	VHZOJHLMUFQNKA-SSDOTTSWSA-N	0	3	253.258	0.554	10	5		CCBEHN
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000285569979	196330798	/nfs/dbraw/zinc/33/07/98/196330798.db2.gz	SKWXZAPWERFXBG-RKDXNWHRSA-N	0	3	279.300	0.627	10	5		CCBEHN
CN[C@@H](CCOc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000062541057	522349680	/nfs/dbraw/zinc/34/96/80/522349680.db2.gz	UHNBGYYEXGEGNL-JTQLQIEISA-N	0	3	253.258	0.437	10	5		CCBEHN
CS(=O)(=O)c1ccc(NC2CNC2)c([N+](=O)[O-])c1	ZINC000090289363	349435760	/nfs/dbraw/zinc/43/57/60/349435760.db2.gz	LMASIUOFPLSPNC-UHFFFAOYSA-N	0	3	271.298	0.382	10	5		CCBEHN
Cn1c(-c2nc([C@@H]3CNCCN3C)no2)ccc1[N+](=O)[O-]	ZINC000263312066	137063915	/nfs/dbraw/zinc/06/39/15/137063915.db2.gz	YWFSPLYACZEEAB-VIFPVBQESA-N	0	3	292.299	0.559	10	5		CCBEHN
C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000245913241	352341966	/nfs/dbraw/zinc/34/19/66/352341966.db2.gz	VTGTZYFDDHVPCR-BDAKNGLRSA-N	0	3	279.300	0.627	10	5		CCBEHN
CCOC(=O)C1CC2(C1)NC(=O)CCC2[N+](=O)[O-]	ZINC000238851162	389200305	/nfs/dbraw/zinc/20/03/05/389200305.db2.gz	FPVFKMALWHOZHU-JKDSDDBFSA-N	0	3	256.258	0.254	10	5		CCBEHN
CNCc1ccc([N+](=O)[O-])c(O[C@@H](C)C(N)=O)c1	ZINC000050516818	522124498	/nfs/dbraw/zinc/12/44/98/522124498.db2.gz	LQIXOUNBCZWXQK-ZETCQYMHSA-N	0	3	253.258	0.567	10	5		CCBEHN
O=C(NCC1(O)CNC1)Nc1cccc([N+](=O)[O-])c1	ZINC000261566355	137008819	/nfs/dbraw/zinc/00/88/19/137008819.db2.gz	GUCXRGZZBDWXFU-UHFFFAOYSA-N	0	3	266.257	0.051	10	5		CCBEHN
CCc1n[nH]c(C(=O)N2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-]	ZINC000171805715	350935816	/nfs/dbraw/zinc/93/58/16/350935816.db2.gz	ZIEMPGGRAKRWBP-SECBINFHSA-N	0	3	293.327	0.801	10	5		CCBEHN
CCc1[nH]nc(C(=O)N2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-]	ZINC000171805715	350935818	/nfs/dbraw/zinc/93/58/18/350935818.db2.gz	ZIEMPGGRAKRWBP-SECBINFHSA-N	0	3	293.327	0.801	10	5		CCBEHN
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000157954067	188348708	/nfs/dbraw/zinc/34/87/08/188348708.db2.gz	VTGTZYFDDHVPCR-RKDXNWHRSA-N	0	3	279.300	0.627	10	5		CCBEHN
NC[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(F)(F)F	ZINC000401758787	357804957	/nfs/dbraw/zinc/80/49/57/357804957.db2.gz	ASULYYDJPLUUDL-LURJTMIESA-N	0	3	266.179	0.542	10	5		CCBEHN
CCNCc1ccc([N+](=O)[O-])c(OCCC(N)=O)c1	ZINC000050516922	520001992	/nfs/dbraw/zinc/00/19/92/520001992.db2.gz	SLPFCPWWAADTTQ-UHFFFAOYSA-N	0	3	267.285	0.959	10	5		CCBEHN
Cc1cc(C)c(OCC[C@@H](N)C(N)=O)c([N+](=O)[O-])c1	ZINC000062595594	524310947	/nfs/dbraw/zinc/31/09/47/524310947.db2.gz	PWJZLDQMEQKGBF-SECBINFHSA-N	0	3	267.285	0.793	10	5		CCBEHN
CC1(C)C[NH2+][C@@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000757070079	581939641	/nfs/dbraw/zinc/93/96/41/581939641.db2.gz	NZLXDISMRQNPAF-LLVKDONJSA-N	0	3	299.352	0.871	10	5		CCBEHN
CCC[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N(C)C	ZINC000159753497	350687453	/nfs/dbraw/zinc/68/74/53/350687453.db2.gz	ZOZSXRWCORBHTG-LLVKDONJSA-N	0	3	283.332	0.638	10	5		CCBEHN
CN(C)[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1	ZINC000133046809	389230998	/nfs/dbraw/zinc/23/09/98/389230998.db2.gz	CGSAVFTVMDXGMX-SSDOTTSWSA-N	0	3	253.262	0.094	10	5		CCBEHN
O=[N+]([O-])c1cccnc1[S@](=O)[C@@H]1CCCNC1	ZINC000095091875	349589848	/nfs/dbraw/zinc/58/98/48/349589848.db2.gz	QCZNWFTWNFCLLN-RBHXEPJQSA-N	0	3	255.299	0.849	10	5		CCBEHN
CCN1CCC[C@H]1CN(C)C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000127222082	187290011	/nfs/dbraw/zinc/29/00/11/187290011.db2.gz	GCJKXAHXDXLFOU-VIFPVBQESA-N	0	3	281.316	0.874	10	5		CCBEHN
Cn1c(-c2nc([C@H]3CNCCN3C)no2)ccc1[N+](=O)[O-]	ZINC000263312065	137063839	/nfs/dbraw/zinc/06/38/39/137063839.db2.gz	YWFSPLYACZEEAB-SECBINFHSA-N	0	3	292.299	0.559	10	5		CCBEHN
CN(C)[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1	ZINC000408050526	357889479	/nfs/dbraw/zinc/88/94/79/357889479.db2.gz	DRSIOPSXIDZIDA-MRVPVSSYSA-N	0	3	267.289	0.104	10	5		CCBEHN
CNCCS(=O)(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000052942766	522012946	/nfs/dbraw/zinc/01/29/46/522012946.db2.gz	YUQJEHRYDYFBEG-UHFFFAOYSA-N	0	3	273.314	0.234	10	5		CCBEHN
CN(C)C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCO1	ZINC000116793825	349872783	/nfs/dbraw/zinc/87/27/83/349872783.db2.gz	HQMJVAMXOMTIHR-CYBMUJFWSA-N	0	3	293.323	0.997	10	5		CCBEHN
CN1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])cn3)[C@@H]2C1	ZINC000284527544	388779103	/nfs/dbraw/zinc/77/91/03/388779103.db2.gz	KQUYLPAKCJOTRJ-NEPJUHHUSA-N	0	3	278.312	0.899	10	5		CCBEHN
O=[N+]([O-])c1ccc(S(=O)(=O)[C@@H]2CCCNC2)nc1	ZINC000095091916	349589788	/nfs/dbraw/zinc/58/97/88/349589788.db2.gz	MMRDIOGIWSGVTR-SECBINFHSA-N	0	3	271.298	0.516	10	5		CCBEHN
C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000285569974	388794552	/nfs/dbraw/zinc/79/45/52/388794552.db2.gz	SKWXZAPWERFXBG-BDAKNGLRSA-N	0	3	279.300	0.627	10	5		CCBEHN
C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000122396421	389151264	/nfs/dbraw/zinc/15/12/64/389151264.db2.gz	YYPACYTYFQNENX-VHSXEESVSA-N	0	3	293.327	0.637	10	5		CCBEHN
COCCNCc1ccc(OCCO)c([N+](=O)[O-])c1	ZINC000062730717	523953049	/nfs/dbraw/zinc/95/30/49/523953049.db2.gz	YMZRLVIEPDOLSW-UHFFFAOYSA-N	0	3	270.285	0.702	10	5		CCBEHN
Cc1nn(C)c(N2CCO[C@@H](CN(C)C)C2)c1[N+](=O)[O-]	ZINC000108951763	282271580	/nfs/dbraw/zinc/27/15/80/282271580.db2.gz	DBTVECNQYGJXCY-JTQLQIEISA-N	0	3	283.332	0.404	10	5		CCBEHN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN2CCC[C@@H]2C1	ZINC000195339209	351911093	/nfs/dbraw/zinc/91/10/93/351911093.db2.gz	LPOSKGHSGXBJAP-LLVKDONJSA-N	0	3	293.327	0.406	10	5		CCBEHN
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN2CCC[C@H]2C1	ZINC000408087215	357913265	/nfs/dbraw/zinc/91/32/65/357913265.db2.gz	AODPYDMRTXEFKM-VIFPVBQESA-N	0	3	264.285	0.843	10	5		CCBEHN
CC(C)C[C@H](CN(C)C)NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000193268543	389065186	/nfs/dbraw/zinc/06/51/86/389065186.db2.gz	BZQDQXGUEFDENF-LLVKDONJSA-N	0	3	297.359	0.884	10	5		CCBEHN
O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN2CCC[C@H]2C1	ZINC000285284136	196240092	/nfs/dbraw/zinc/24/00/92/196240092.db2.gz	FVKVZJFWHXPFES-QMMMGPOBSA-N	0	3	265.273	0.238	10	5		CCBEHN
O=[N+]([O-])c1ccn(CCN2CCN3CCCC[C@H]3C2)n1	ZINC000248371808	352436032	/nfs/dbraw/zinc/43/60/32/352436032.db2.gz	ZCQDJCRJWRLFLX-LBPRGKRZSA-N	0	3	279.344	0.961	10	5		CCBEHN
O=[N+]([O-])c1cccnc1S(=O)(=O)[C@@H]1CCCNC1	ZINC000095091847	285167429	/nfs/dbraw/zinc/16/74/29/285167429.db2.gz	GTQXFZVNMGEDKF-MRVPVSSYSA-N	0	3	271.298	0.516	10	5		CCBEHN
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H](O)CN1	ZINC000261566629	131152289	/nfs/dbraw/zinc/15/22/89/131152289.db2.gz	ZHFAWZSABDVNFX-ZJUUUORDSA-N	0	3	251.242	0.256	10	5		CCBEHN
Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H](N)[C@@H](F)C1	ZINC000584645353	411833406	/nfs/dbraw/zinc/83/34/06/411833406.db2.gz	ITODKGMPWUTPFP-JGVFFNPUSA-N	0	3	257.269	0.594	10	5		CCBEHN
CNCc1cc([N+](=O)[O-])ccc1OCCC(N)=O	ZINC000035414604	172188668	/nfs/dbraw/zinc/18/86/68/172188668.db2.gz	OJUGUBPQKJVZPW-UHFFFAOYSA-N	0	3	253.258	0.568	10	5		CCBEHN
Cc1n[nH]c(C(=O)N2CCN3CCC[C@H]3C2)c1[N+](=O)[O-]	ZINC000299537424	354025211	/nfs/dbraw/zinc/02/52/11/354025211.db2.gz	GGZOPHYFBIQJHJ-VIFPVBQESA-N	0	3	279.300	0.547	10	5		CCBEHN
Cc1[nH]nc(C(=O)N2CCN3CCC[C@H]3C2)c1[N+](=O)[O-]	ZINC000299537424	354025216	/nfs/dbraw/zinc/02/52/16/354025216.db2.gz	GGZOPHYFBIQJHJ-VIFPVBQESA-N	0	3	279.300	0.547	10	5		CCBEHN
C[C@H]1CN2CCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000246066884	285001953	/nfs/dbraw/zinc/00/19/53/285001953.db2.gz	YYPACYTYFQNENX-UWVGGRQHSA-N	0	3	293.327	0.637	10	5		CCBEHN
COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCNCC1	ZINC000020362624	171161415	/nfs/dbraw/zinc/16/14/15/171161415.db2.gz	BVIDYTSJTZHTMG-UHFFFAOYSA-N	0	3	294.311	0.447	10	5		CCBEHN
COCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000052791203	521949643	/nfs/dbraw/zinc/94/96/43/521949643.db2.gz	LCXWYCGZPQRIAL-JTQLQIEISA-N	0	3	253.258	0.897	10	5		CCBEHN
CN[C@H](CCOc1ccc(C)cc1[N+](=O)[O-])C(N)=O	ZINC000062541853	522462162	/nfs/dbraw/zinc/46/21/62/522462162.db2.gz	ITJWELWUYGBRAS-SECBINFHSA-N	0	3	267.285	0.745	10	5		CCBEHN
CNC(=O)[C@H](C)Oc1cc(CN)ccc1[N+](=O)[O-]	ZINC000050516508	524100895	/nfs/dbraw/zinc/10/08/95/524100895.db2.gz	DSJQWBANROAFIK-ZETCQYMHSA-N	0	3	253.258	0.567	10	5		CCBEHN
CS(=O)(=O)c1ccc(OC2CNC2)c([N+](=O)[O-])c1	ZINC000062810111	525259802	/nfs/dbraw/zinc/25/98/02/525259802.db2.gz	TXFCKJOOORTNHN-UHFFFAOYSA-N	0	3	272.282	0.349	10	5		CCBEHN
NC(=O)[C@H](N)CCSc1ccccc1[N+](=O)[O-]	ZINC000062596680	526994242	/nfs/dbraw/zinc/99/42/42/526994242.db2.gz	FUYVJPPRKUBEHH-SSDOTTSWSA-N	0	3	255.299	0.890	10	5		CCBEHN
COC(=O)CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000095082189	349589291	/nfs/dbraw/zinc/58/92/91/349589291.db2.gz	NTZOZPNLJKLRHG-NSHDSACASA-N	0	3	268.269	0.781	10	5		CCBEHN
Cc1nn(C)c(N2CCO[C@H](CN(C)C)C2)c1[N+](=O)[O-]	ZINC000108951760	282272017	/nfs/dbraw/zinc/27/20/17/282272017.db2.gz	DBTVECNQYGJXCY-SNVBAGLBSA-N	0	3	283.332	0.404	10	5		CCBEHN
O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC[C@H]2OCC[NH2+][C@@H]2C1	ZINC000404073797	357815044	/nfs/dbraw/zinc/81/50/44/357815044.db2.gz	MNVHBFIULZMLIQ-NXEZZACHSA-N	0	3	280.284	0.126	10	5		CCBEHN
O=[N+]([O-])c1cccnc1S(=O)(=O)C[C@@H]1CCCCN1	ZINC000095091850	285167316	/nfs/dbraw/zinc/16/73/16/285167316.db2.gz	OQEWWIQXKHITGS-VIFPVBQESA-N	0	3	285.325	0.906	10	5		CCBEHN
C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCO1	ZINC000183234716	525470353	/nfs/dbraw/zinc/47/03/53/525470353.db2.gz	LTHPXOIXGOPQOS-PWSUYJOCSA-N	0	3	281.312	0.914	10	5		CCBEHN
COC(=O)[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C	ZINC000250831489	649792604	/nfs/dbraw/zinc/79/26/04/649792604.db2.gz	ABSSEJNTGMZFJX-KOLCDFICSA-N	0	3	296.327	0.841	10	5		CCBEHN
CN(C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO1	ZINC000116798158	349873525	/nfs/dbraw/zinc/87/35/25/349873525.db2.gz	KTQOVXDHQBARTE-VIFPVBQESA-N	0	3	283.284	0.590	10	5		CCBEHN
Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](CCO)C1	ZINC000124306580	350094024	/nfs/dbraw/zinc/09/40/24/350094024.db2.gz	DIRUABYJVNWOGF-LLVKDONJSA-N	0	3	268.317	0.804	10	5		CCBEHN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN2CCC[C@@H]2C1	ZINC000195328786	351909863	/nfs/dbraw/zinc/90/98/63/351909863.db2.gz	UVQGCDNUCNRYQQ-SNVBAGLBSA-N	0	3	279.300	0.098	10	5		CCBEHN
Cc1cc(NCCN(CCO)CCO)c([N+](=O)[O-])cc1C	ZINC000584603331	359179085	/nfs/dbraw/zinc/17/90/85/359179085.db2.gz	WJFJNSGNQVYTAN-UHFFFAOYSA-N	0	3	297.355	0.910	10	5		CCBEHN
O=[N+]([O-])c1cccc(CN[C@H]2CCOC[C@H]2O)c1	ZINC000599012462	361555584	/nfs/dbraw/zinc/55/55/84/361555584.db2.gz	QZVAQFMGCYWFMR-NWDGAFQWSA-N	0	3	252.270	0.834	10	5		CCBEHN
COc1ccc([N+](=O)[O-])cc1OCC[C@H](N)C(N)=O	ZINC000062540327	525472401	/nfs/dbraw/zinc/47/24/01/525472401.db2.gz	JAWSHCBBOKMUBC-QMMMGPOBSA-N	0	3	269.257	0.185	10	5		CCBEHN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN2CCC[C@H]2C1	ZINC000195339217	351910660	/nfs/dbraw/zinc/91/06/60/351910660.db2.gz	LPOSKGHSGXBJAP-NSHDSACASA-N	0	3	293.327	0.406	10	5		CCBEHN
C[C@H](O)CN1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C	ZINC000246184330	352352236	/nfs/dbraw/zinc/35/22/36/352352236.db2.gz	KSSTXGAEVMDTML-NEPJUHHUSA-N	0	3	297.359	0.178	10	5		CCBEHN
CN(C)C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCO1	ZINC000193415779	389068897	/nfs/dbraw/zinc/06/88/97/389068897.db2.gz	ORSPZTJWFLLZGT-LLVKDONJSA-N	0	3	280.328	0.944	10	5		CCBEHN
CNCc1ccc([N+](=O)[O-])c(OCCOCCO)c1	ZINC000050516717	522125897	/nfs/dbraw/zinc/12/58/97/522125897.db2.gz	SWNUMHXVJSUKRB-UHFFFAOYSA-N	0	3	270.285	0.702	10	5		CCBEHN
CNC(=O)[C@@H](C)Oc1cc(CN)ccc1[N+](=O)[O-]	ZINC000050516510	524080809	/nfs/dbraw/zinc/08/08/09/524080809.db2.gz	DSJQWBANROAFIK-SSDOTTSWSA-N	0	3	253.258	0.567	10	5		CCBEHN
O=[N+]([O-])c1cnn(CCN2CCN3CCCC[C@@H]3C2)c1	ZINC000177756232	351212479	/nfs/dbraw/zinc/21/24/79/351212479.db2.gz	GDTCBLBZQRNVDC-GFCCVEGCSA-N	0	3	279.344	0.961	10	5		CCBEHN
COC[C@H](C)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000123511307	187096131	/nfs/dbraw/zinc/09/61/31/187096131.db2.gz	XVNRHMMTNZZZPC-TVYUQYBPSA-N	0	3	284.312	0.614	10	5		CCBEHN
Cc1n[nH]c(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1[N+](=O)[O-]	ZINC000264961057	352610894	/nfs/dbraw/zinc/61/08/94/352610894.db2.gz	NKUJDIYRWJFCKX-WCBMZHEXSA-N	0	3	293.327	0.935	10	5		CCBEHN
CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H](CN)C(F)(F)F	ZINC000596005160	360773348	/nfs/dbraw/zinc/77/33/48/360773348.db2.gz	VEWBQAAMUVOTMQ-LURJTMIESA-N	0	3	295.221	0.139	10	5		CCBEHN
CN(C)C[C@H]1CN(c2ncc([N+](=O)[O-])s2)CCO1	ZINC000192451648	389037647	/nfs/dbraw/zinc/03/76/47/389037647.db2.gz	FQCTYHWSRIICEB-QMMMGPOBSA-N	0	3	272.330	0.818	10	5		CCBEHN
Cc1nn(CN2CCO[C@H](CN(C)C)C2)c(C)c1[N+](=O)[O-]	ZINC000153010326	637651769	/nfs/dbraw/zinc/65/17/69/637651769.db2.gz	HEECAMDRYCOMCT-GFCCVEGCSA-N	0	3	297.359	0.628	10	5		CCBEHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[C@@H]1CCNC1	ZINC000083309118	178380438	/nfs/dbraw/zinc/38/04/38/178380438.db2.gz	SRIHXDAAEAPHMQ-MRVPVSSYSA-N	0	3	256.283	0.730	10	5		CCBEHN
O=[N+]([O-])c1ccc(S(=O)(=O)[C@@H]2CCNC2)nc1	ZINC000095091914	349589858	/nfs/dbraw/zinc/58/98/58/349589858.db2.gz	AHJUOLRKGRYPPT-MRVPVSSYSA-N	0	3	257.271	0.125	10	5		CCBEHN
CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H](CN)C(F)(F)F	ZINC000595994683	360768686	/nfs/dbraw/zinc/76/86/86/360768686.db2.gz	IPTSZIJVGIFETI-SSDOTTSWSA-N	0	3	280.206	0.885	10	5		CCBEHN
O=[N+]([O-])c1ccc(CN[C@H]2CCOC[C@H]2O)cc1	ZINC000599013237	361555794	/nfs/dbraw/zinc/55/57/94/361555794.db2.gz	YLGFVHSLCADGHS-NWDGAFQWSA-N	0	3	252.270	0.834	10	5		CCBEHN
NCc1ccc(OCC(=O)NC2CC2)c([N+](=O)[O-])c1	ZINC000037299986	173105059	/nfs/dbraw/zinc/10/50/59/173105059.db2.gz	IUBYRZROPBLARJ-UHFFFAOYSA-N	0	3	265.269	0.711	10	5		CCBEHN
O=[N+]([O-])c1ccc(S(=O)(=O)[C@H]2CCNC2)nc1	ZINC000095091915	349589862	/nfs/dbraw/zinc/58/98/62/349589862.db2.gz	AHJUOLRKGRYPPT-QMMMGPOBSA-N	0	3	257.271	0.125	10	5		CCBEHN
CCN1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C1	ZINC000066050106	348731923	/nfs/dbraw/zinc/73/19/23/348731923.db2.gz	PHUQWWGVCXFFSJ-LLVKDONJSA-N	0	3	295.343	0.700	10	5		CCBEHN
NC1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCOCC1	ZINC000132250286	350301583	/nfs/dbraw/zinc/30/15/83/350301583.db2.gz	SUPMWYPJMKYLJB-UHFFFAOYSA-N	0	3	279.296	0.719	10	5		CCBEHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1	ZINC000245927169	352341697	/nfs/dbraw/zinc/34/16/97/352341697.db2.gz	XRTJPDKMZLXTIK-RKDXNWHRSA-N	0	3	281.316	0.776	10	5		CCBEHN
Cc1n[nH]c(C(=O)N2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-]	ZINC000299537421	354025915	/nfs/dbraw/zinc/02/59/15/354025915.db2.gz	GGZOPHYFBIQJHJ-SECBINFHSA-N	0	3	279.300	0.547	10	5		CCBEHN
Cc1[nH]nc(C(=O)N2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-]	ZINC000299537421	354025917	/nfs/dbraw/zinc/02/59/17/354025917.db2.gz	GGZOPHYFBIQJHJ-SECBINFHSA-N	0	3	279.300	0.547	10	5		CCBEHN
CN(C)CCN(C)c1ccc([N+](=O)[O-])cc1C(N)=O	ZINC000301484674	201024156	/nfs/dbraw/zinc/02/41/56/201024156.db2.gz	VRQIUBLAVLKMGL-UHFFFAOYSA-N	0	3	266.301	0.692	10	5		CCBEHN
CN(C)C[C@H]1CN(Cn2nccc2[N+](=O)[O-])CCO1	ZINC000152998758	615947191	/nfs/dbraw/zinc/94/71/91/615947191.db2.gz	UJCTVFCVSQKDEN-JTQLQIEISA-N	0	3	269.305	0.011	10	5		CCBEHN
O=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H]2CCCCN2)nc1	ZINC000095091919	349590215	/nfs/dbraw/zinc/59/02/15/349590215.db2.gz	CNNMFTBAHZBEIA-VIFPVBQESA-N	0	3	285.325	0.906	10	5		CCBEHN
C[C@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCN1	ZINC000052783413	348514770	/nfs/dbraw/zinc/51/47/70/348514770.db2.gz	RIZQPQZMKHGOMU-QMMMGPOBSA-N	0	3	289.295	0.629	10	5		CCBEHN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](N(C)C)C1	ZINC000170864330	350869820	/nfs/dbraw/zinc/86/98/20/350869820.db2.gz	OFPKEJQNEBIRNW-SNVBAGLBSA-N	0	3	281.316	0.262	10	5		CCBEHN
Cc1n[nH]c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1[N+](=O)[O-]	ZINC000264961061	352611096	/nfs/dbraw/zinc/61/10/96/352611096.db2.gz	NKUJDIYRWJFCKX-WPRPVWTQSA-N	0	3	293.327	0.935	10	5		CCBEHN
O=[N+]([O-])c1ccc([S@@](=O)[C@H]2CCCNC2)nc1	ZINC000095091947	184941010	/nfs/dbraw/zinc/94/10/10/184941010.db2.gz	GJXMIFJVUGKLLU-HUTHGQBESA-N	0	3	255.299	0.849	10	5		CCBEHN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCN3CCC[C@H]3C2)n1	ZINC000191804996	227179234	/nfs/dbraw/zinc/17/92/34/227179234.db2.gz	FFKVGJXALWSETG-JTQLQIEISA-N	0	3	293.327	0.731	10	5		CCBEHN
C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCO1	ZINC000183234731	525376148	/nfs/dbraw/zinc/37/61/48/525376148.db2.gz	LTHPXOIXGOPQOS-CMPLNLGQSA-N	0	3	281.312	0.914	10	5		CCBEHN
NC(=O)[C@@H](N)CCOc1ccc([N+](=O)[O-])c(F)c1	ZINC000062542177	526954628	/nfs/dbraw/zinc/95/46/28/526954628.db2.gz	WJMFVSZLSOIMLZ-QMMMGPOBSA-N	0	3	257.221	0.315	10	5		CCBEHN
O=C1CCc2cc(OC3CNC3)c([N+](=O)[O-])cc2N1	ZINC000062810121	526997330	/nfs/dbraw/zinc/99/73/30/526997330.db2.gz	HQDBQZSSHSNXBX-UHFFFAOYSA-N	0	3	263.253	0.830	10	5		CCBEHN
Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](CCO)C1	ZINC000124306829	350094551	/nfs/dbraw/zinc/09/45/51/350094551.db2.gz	DIRUABYJVNWOGF-NSHDSACASA-N	0	3	268.317	0.804	10	5		CCBEHN
O=[N+]([O-])c1ccc2nc([S@@](=O)[C@H]3CC[NH2+]C3)[n-]c2c1	ZINC000095092108	285141460	/nfs/dbraw/zinc/14/14/60/285141460.db2.gz	WIMCBOWXHVIUDZ-WPCRTTGESA-N	0	3	280.309	0.941	10	5		CCBEHN
O=[N+]([O-])c1ccc2[n-]c([S@@](=O)[C@H]3CC[NH2+]C3)nc2c1	ZINC000095092108	285141461	/nfs/dbraw/zinc/14/14/61/285141461.db2.gz	WIMCBOWXHVIUDZ-WPCRTTGESA-N	0	3	280.309	0.941	10	5		CCBEHN
COC(=O)CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000095082190	349588915	/nfs/dbraw/zinc/58/89/15/349588915.db2.gz	NTZOZPNLJKLRHG-LLVKDONJSA-N	0	3	268.269	0.781	10	5		CCBEHN
CN(C)C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CCO1	ZINC000116790205	349872461	/nfs/dbraw/zinc/87/24/61/349872461.db2.gz	GQKNKUAYQHFSSF-LLVKDONJSA-N	0	3	293.323	0.997	10	5		CCBEHN
CN(C)[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1	ZINC000062984722	348674367	/nfs/dbraw/zinc/67/43/67/348674367.db2.gz	KMKWTHSEGCLELN-SNVBAGLBSA-N	0	3	278.312	0.953	10	5		CCBEHN
O=[N+]([O-])c1ccn(CCN2CCCN(C3CC3)CC2)n1	ZINC000176245810	351163782	/nfs/dbraw/zinc/16/37/82/351163782.db2.gz	DSXKZJMHFLRLGH-UHFFFAOYSA-N	0	3	279.344	0.961	10	5		CCBEHN
O=[N+]([O-])c1cccnc1S(=O)(=O)[C@H]1CCNC1	ZINC000095091846	285167465	/nfs/dbraw/zinc/16/74/65/285167465.db2.gz	CLNQWAIUORHOSG-ZETCQYMHSA-N	0	3	257.271	0.125	10	5		CCBEHN
NC(=O)c1ccc(N2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000024659596	388809106	/nfs/dbraw/zinc/80/91/06/388809106.db2.gz	QIZBACSOYVYNIA-LLVKDONJSA-N	0	3	290.323	0.978	10	5		CCBEHN
O=[N+]([O-])c1cccnc1[S@@](=O)[C@@H]1CCCNC1	ZINC000095091874	184941108	/nfs/dbraw/zinc/94/11/08/184941108.db2.gz	QCZNWFTWNFCLLN-CQLKUDPESA-N	0	3	255.299	0.849	10	5		CCBEHN
Cc1n[nH]c(C(=O)N2CC[C@@H](N(C)C)C2)c1[N+](=O)[O-]	ZINC000263994779	131375078	/nfs/dbraw/zinc/37/50/78/131375078.db2.gz	HYCHBLJQYCPTLW-MRVPVSSYSA-N	0	3	267.289	0.402	10	5		CCBEHN
Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)C)C2)c1[N+](=O)[O-]	ZINC000263994779	131375079	/nfs/dbraw/zinc/37/50/79/131375079.db2.gz	HYCHBLJQYCPTLW-MRVPVSSYSA-N	0	3	267.289	0.402	10	5		CCBEHN
CN[C@H](C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000054076362	348541189	/nfs/dbraw/zinc/54/11/89/348541189.db2.gz	BTACPEDXIVIPOP-LLVKDONJSA-N	0	3	292.339	0.851	10	5		CCBEHN
NC(=O)[C@@H](N)CCOc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000062595791	526954674	/nfs/dbraw/zinc/95/46/74/526954674.db2.gz	FXNGRZZDHLTCST-ZETCQYMHSA-N	0	3	273.676	0.830	10	5		CCBEHN
CN[C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000054076364	348541718	/nfs/dbraw/zinc/54/17/18/348541718.db2.gz	ROORLTANUSQOPR-SNVBAGLBSA-N	0	3	293.327	0.246	10	5		CCBEHN
O=[N+]([O-])c1ccc2ncnc(N3CCNCC3)c2c1	ZINC000081588681	349277203	/nfs/dbraw/zinc/27/72/03/349277203.db2.gz	ZPZIMSAAFOELPQ-UHFFFAOYSA-N	0	3	259.269	0.948	10	5		CCBEHN
C[C@@H](O)CN1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C	ZINC000176232392	351162855	/nfs/dbraw/zinc/16/28/55/351162855.db2.gz	KSSTXGAEVMDTML-NWDGAFQWSA-N	0	3	297.359	0.178	10	5		CCBEHN
O=[N+]([O-])c1ccc2nc([S@](=O)[C@@H]3CC[NH2+]C3)[n-]c2c1	ZINC000095092107	285141424	/nfs/dbraw/zinc/14/14/24/285141424.db2.gz	WIMCBOWXHVIUDZ-YLVJLNSGSA-N	0	3	280.309	0.941	10	5		CCBEHN
O=[N+]([O-])c1ccc2[n-]c([S@](=O)[C@@H]3CC[NH2+]C3)nc2c1	ZINC000095092107	285141425	/nfs/dbraw/zinc/14/14/25/285141425.db2.gz	WIMCBOWXHVIUDZ-YLVJLNSGSA-N	0	3	280.309	0.941	10	5		CCBEHN
O=C(CN1CCNCC1)Nc1ccc([N+](=O)[O-])cc1	ZINC000020362628	171161826	/nfs/dbraw/zinc/16/18/26/171161826.db2.gz	QFAKHFVJQNKJSH-UHFFFAOYSA-N	0	3	264.285	0.439	10	5		CCBEHN
NC(=O)[C@H](N)CCOc1ccc([N+](=O)[O-])c(F)c1	ZINC000062542178	526993731	/nfs/dbraw/zinc/99/37/31/526993731.db2.gz	WJMFVSZLSOIMLZ-MRVPVSSYSA-N	0	3	257.221	0.315	10	5		CCBEHN
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1C[C@@H](O)CN1	ZINC000037029800	172895508	/nfs/dbraw/zinc/89/55/08/172895508.db2.gz	LQCIPMYXLFIOKC-APPZFPTMSA-N	0	3	269.232	0.395	10	5		CCBEHN
NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2CCC[C@@H]2C1	ZINC000192806369	351799088	/nfs/dbraw/zinc/79/90/88/351799088.db2.gz	UKOXRENHTOOCMH-SECBINFHSA-N	0	3	291.311	0.373	10	5		CCBEHN
Cc1n[nH]c(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1[N+](=O)[O-]	ZINC000264961049	352611039	/nfs/dbraw/zinc/61/10/39/352611039.db2.gz	NKUJDIYRWJFCKX-PSASIEDQSA-N	0	3	293.327	0.935	10	5		CCBEHN
O=[N+]([O-])c1cccnc1S(=O)(=O)C[C@H]1CCCCN1	ZINC000095091851	184941492	/nfs/dbraw/zinc/94/14/92/184941492.db2.gz	OQEWWIQXKHITGS-SECBINFHSA-N	0	3	285.325	0.906	10	5		CCBEHN
COC(=O)[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C	ZINC000095019783	649751677	/nfs/dbraw/zinc/75/16/77/649751677.db2.gz	ABSSEJNTGMZFJX-GXSJLCMTSA-N	0	3	296.327	0.841	10	5		CCBEHN
CN(C)C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCO1	ZINC000176234649	351163013	/nfs/dbraw/zinc/16/30/13/351163013.db2.gz	FATBRPGVDLBCLU-LLVKDONJSA-N	0	3	283.332	0.054	10	5		CCBEHN
CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H](CN)C(F)(F)F	ZINC000595985794	360761750	/nfs/dbraw/zinc/76/17/50/360761750.db2.gz	BNTHZGOVBBXYAV-LURJTMIESA-N	0	3	280.206	0.885	10	5		CCBEHN
NC(=O)c1ccc(N2CCN3CCC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000248771522	389249640	/nfs/dbraw/zinc/24/96/40/389249640.db2.gz	QIZBACSOYVYNIA-NSHDSACASA-N	0	3	290.323	0.978	10	5		CCBEHN
C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000038079464	174089356	/nfs/dbraw/zinc/08/93/56/174089356.db2.gz	IYVFFNAUUMEHJY-MRVPVSSYSA-N	0	3	253.258	0.437	10	5		CCBEHN
CN(c1[nH]cnc(=NN)c1[N+](=O)[O-])C1CCN(C)CC1	ZINC000040656808	174365280	/nfs/dbraw/zinc/36/52/80/174365280.db2.gz	KHGAAUTYLNOREX-UHFFFAOYSA-N	0	3	281.320	0.201	10	5		CCBEHN
O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CNCCOC1	ZINC000591594596	359604320	/nfs/dbraw/zinc/60/43/20/359604320.db2.gz	ZWVFMBVMZRHRLT-NSHDSACASA-N	0	3	279.296	0.447	10	5		CCBEHN
CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H](CN)C(F)(F)F	ZINC000596000772	360772329	/nfs/dbraw/zinc/77/23/29/360772329.db2.gz	OZIDMXMZHAIOJL-SSDOTTSWSA-N	0	3	294.233	0.895	10	5		CCBEHN
COCCNC[C@@H](O)COc1ccc([N+](=O)[O-])cc1	ZINC000095082308	184937936	/nfs/dbraw/zinc/93/79/36/184937936.db2.gz	NGQCZIRTVKVCMX-LLVKDONJSA-N	0	3	270.285	0.571	10	5		CCBEHN
O=[N+]([O-])c1ccc2oc(S(=O)(=O)[C@H]3CCNC3)nc2c1	ZINC000095092149	349590042	/nfs/dbraw/zinc/59/00/42/349590042.db2.gz	VUTYXNHSWKWBHO-QMMMGPOBSA-N	0	3	297.292	0.872	10	5		CCBEHN
CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H](CN)C(F)(F)F	ZINC000595985798	360761599	/nfs/dbraw/zinc/76/15/99/360761599.db2.gz	BNTHZGOVBBXYAV-ZCFIWIBFSA-N	0	3	280.206	0.885	10	5		CCBEHN
CCNC(=O)CNCCOc1ccc([N+](=O)[O-])cc1	ZINC000038079469	174089510	/nfs/dbraw/zinc/08/95/10/174089510.db2.gz	VCOVERCNDTWWTC-UHFFFAOYSA-N	0	3	267.285	0.699	10	5		CCBEHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CCN1	ZINC000052783484	278803654	/nfs/dbraw/zinc/80/36/54/278803654.db2.gz	VARPEUHJJDAJLG-SSDOTTSWSA-N	0	3	263.257	0.929	10	5		CCBEHN
CN(C)c1ncc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cn1	ZINC000238856645	282322752	/nfs/dbraw/zinc/32/27/52/282322752.db2.gz	WRYOIUCGBXXRLK-WPRPVWTQSA-N	0	3	265.273	0.139	10	5		CCBEHN
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000122396193	350064213	/nfs/dbraw/zinc/06/42/13/350064213.db2.gz	YYPACYTYFQNENX-NXEZZACHSA-N	0	3	293.327	0.637	10	5		CCBEHN
O=[N+]([O-])c1cnn(CCN2CCCN(C3CC3)CC2)c1	ZINC000174863910	351108110	/nfs/dbraw/zinc/10/81/10/351108110.db2.gz	GTUMSOJFEZLDPK-UHFFFAOYSA-N	0	3	279.344	0.961	10	5		CCBEHN
O=[N+]([O-])c1ccn(CCN2CC[C@@H](N3CCOCC3)C2)n1	ZINC000176269164	351165480	/nfs/dbraw/zinc/16/54/80/351165480.db2.gz	VKPSMOYSYGUGAR-GFCCVEGCSA-N	0	3	295.343	0.198	10	5		CCBEHN
CN(C)CCN(C)c1nc2ccccn2c(=O)c1[N+](=O)[O-]	ZINC000301453272	201014479	/nfs/dbraw/zinc/01/44/79/201014479.db2.gz	AZJJZQXWUAWROT-UHFFFAOYSA-N	0	3	291.311	0.601	10	5		CCBEHN
[NH3+][C@H]1C[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000036263929	172557592	/nfs/dbraw/zinc/55/75/92/172557592.db2.gz	QESFQZMUFXKKGK-BQBZGAKWSA-N	0	3	291.716	0.626	10	5		CCBEHN
CNCc1ccc([N+](=O)[O-])c(O[C@H](C)C(N)=O)c1	ZINC000050516820	522128788	/nfs/dbraw/zinc/12/87/88/522128788.db2.gz	LQIXOUNBCZWXQK-SSDOTTSWSA-N	0	3	253.258	0.567	10	5		CCBEHN
CN(C)C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCO1	ZINC000176234668	351163161	/nfs/dbraw/zinc/16/31/61/351163161.db2.gz	FATBRPGVDLBCLU-NSHDSACASA-N	0	3	283.332	0.054	10	5		CCBEHN
O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN2CCC[C@H]2C1	ZINC000195334282	351909670	/nfs/dbraw/zinc/90/96/70/351909670.db2.gz	WVLCMGAKOPXYAS-JTQLQIEISA-N	0	3	279.300	0.098	10	5		CCBEHN
CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H](CN)C(F)(F)F	ZINC000596005161	360772922	/nfs/dbraw/zinc/77/29/22/360772922.db2.gz	VEWBQAAMUVOTMQ-ZCFIWIBFSA-N	0	3	295.221	0.139	10	5		CCBEHN
O=[N+]([O-])c1ccc2nc([S@](=O)[C@H]3CC[NH2+]C3)[n-]c2c1	ZINC000095092109	285141402	/nfs/dbraw/zinc/14/14/02/285141402.db2.gz	WIMCBOWXHVIUDZ-RLBGWGEZSA-N	0	3	280.309	0.941	10	5		CCBEHN
O=[N+]([O-])c1ccc2[n-]c([S@](=O)[C@H]3CC[NH2+]C3)nc2c1	ZINC000095092109	285141403	/nfs/dbraw/zinc/14/14/03/285141403.db2.gz	WIMCBOWXHVIUDZ-RLBGWGEZSA-N	0	3	280.309	0.941	10	5		CCBEHN
CN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])cn3)[C@H]2C1	ZINC000284527553	388779414	/nfs/dbraw/zinc/77/94/14/388779414.db2.gz	KQUYLPAKCJOTRJ-NWDGAFQWSA-N	0	3	278.312	0.899	10	5		CCBEHN
[NH3+]CCC[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000021818400	171333643	/nfs/dbraw/zinc/33/36/43/171333643.db2.gz	QIURYNBGTJIEKT-UHFFFAOYSA-N	0	3	277.277	0.361	10	5		CCBEHN
CNCc1cc([N+](=O)[O-])ccc1O[C@@H](C)C(N)=O	ZINC000035414619	172188309	/nfs/dbraw/zinc/18/83/09/172188309.db2.gz	GTINMOBVGWEITH-ZETCQYMHSA-N	0	3	253.258	0.567	10	5		CCBEHN
CN(C)C[C@@H]1CN(Cn2nccc2[N+](=O)[O-])CCO1	ZINC000152998635	615930728	/nfs/dbraw/zinc/93/07/28/615930728.db2.gz	UJCTVFCVSQKDEN-SNVBAGLBSA-N	0	3	269.305	0.011	10	5		CCBEHN
NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2CCC[C@H]2C1	ZINC000248902978	352466656	/nfs/dbraw/zinc/46/66/56/352466656.db2.gz	UKOXRENHTOOCMH-VIFPVBQESA-N	0	3	291.311	0.373	10	5		CCBEHN
[NH3+]CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000021810486	171328888	/nfs/dbraw/zinc/32/88/88/171328888.db2.gz	IGQKLMJOKHKSBD-UHFFFAOYSA-N	0	3	293.732	0.875	10	5		CCBEHN
[NH3+]CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000021811463	171329364	/nfs/dbraw/zinc/32/93/64/171329364.db2.gz	ZYLLCQRYZSTHAE-UHFFFAOYSA-N	0	3	279.705	0.485	10	5		CCBEHN
CN(C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1	ZINC000285433957	196283588	/nfs/dbraw/zinc/28/35/88/196283588.db2.gz	WXQCLOPRIWGEOX-SSDOTTSWSA-N	0	3	253.262	0.094	10	5		CCBEHN
CNc1ncnc(N(C)C2CCN(C)CC2)c1[N+](=O)[O-]	ZINC000040595985	174349054	/nfs/dbraw/zinc/34/90/54/174349054.db2.gz	DLECLFMELGOMHP-UHFFFAOYSA-N	0	3	280.332	0.957	10	5		CCBEHN
O=[N+]([O-])c1ccc(NC[C@H]2CNCCO2)c2nonc21	ZINC000157401565	527366393	/nfs/dbraw/zinc/36/63/93/527366393.db2.gz	BMPOEHOQFDMGKE-SSDOTTSWSA-N	0	3	279.256	0.531	10	5		CCBEHN
CN(C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCO1	ZINC000116786518	349872356	/nfs/dbraw/zinc/87/23/56/349872356.db2.gz	NNFUKJQAQVTHDW-CYBMUJFWSA-N	0	3	293.323	0.997	10	5		CCBEHN
CCC[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N(C)C	ZINC000159753382	350687099	/nfs/dbraw/zinc/68/70/99/350687099.db2.gz	ZOZSXRWCORBHTG-NSHDSACASA-N	0	3	283.332	0.638	10	5		CCBEHN
CC(C)N1C[C@H](C)[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1	ZINC000245927165	352341777	/nfs/dbraw/zinc/34/17/77/352341777.db2.gz	XRTJPDKMZLXTIK-DTWKUNHWSA-N	0	3	281.316	0.776	10	5		CCBEHN
O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1	ZINC000404073802	357814881	/nfs/dbraw/zinc/81/48/81/357814881.db2.gz	MNVHBFIULZMLIQ-ZJUUUORDSA-N	0	3	280.284	0.126	10	5		CCBEHN
CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H](CN)C(F)(F)F	ZINC000596000774	360772294	/nfs/dbraw/zinc/77/22/94/360772294.db2.gz	OZIDMXMZHAIOJL-ZETCQYMHSA-N	0	3	294.233	0.895	10	5		CCBEHN
COc1ccc(CN[C@H]2CCOC[C@@H]2O)cc1[N+](=O)[O-]	ZINC000599010507	361554291	/nfs/dbraw/zinc/55/42/91/361554291.db2.gz	AFJFFQZZRXNHSH-JQWIXIFHSA-N	0	3	282.296	0.843	10	5		CCBEHN
O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCNCC1	ZINC000049478245	284668715	/nfs/dbraw/zinc/66/87/15/284668715.db2.gz	PPORIYHPKBSELX-UHFFFAOYSA-N	0	3	294.267	0.939	10	5		CCBEHN
Cc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2)cc1[N+](=O)[O-]	ZINC000020434505	171199673	/nfs/dbraw/zinc/19/96/73/171199673.db2.gz	LYFNINPITLGHGD-ZJUUUORDSA-N	0	3	265.269	0.565	10	5		CCBEHN
CN[C@H](CCOc1cccc([N+](=O)[O-])c1)C(N)=O	ZINC000062539300	522463250	/nfs/dbraw/zinc/46/32/50/522463250.db2.gz	LITCVIKSXKORBG-SNVBAGLBSA-N	0	3	253.258	0.437	10	5		CCBEHN
CNc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)C)c1	ZINC000050725912	522641263	/nfs/dbraw/zinc/64/12/63/522641263.db2.gz	WYUBMRQGICLUSC-UHFFFAOYSA-N	0	3	266.301	0.928	10	5		CCBEHN
CC(C)C[C@H](CN(C)C)NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000068224229	348803995	/nfs/dbraw/zinc/80/39/95/348803995.db2.gz	MASJPCYKZWIOQQ-LLVKDONJSA-N	0	3	297.359	0.884	10	5		CCBEHN
O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CNCCO3)c2c1	ZINC000157399871	350644757	/nfs/dbraw/zinc/64/47/57/350644757.db2.gz	INPNDWHFSUSNRT-JTQLQIEISA-N	0	3	289.295	0.938	10	5		CCBEHN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN2CCC[C@H]2C1	ZINC000195328795	351910213	/nfs/dbraw/zinc/91/02/13/351910213.db2.gz	UVQGCDNUCNRYQQ-JTQLQIEISA-N	0	3	279.300	0.098	10	5		CCBEHN
C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCO1	ZINC000183234750	189351256	/nfs/dbraw/zinc/35/12/56/189351256.db2.gz	LTHPXOIXGOPQOS-ZYHUDNBSSA-N	0	3	281.312	0.914	10	5		CCBEHN
C[C@H]1CN2CCC[C@H]2CN1C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000245913244	389221522	/nfs/dbraw/zinc/22/15/22/389221522.db2.gz	VTGTZYFDDHVPCR-IUCAKERBSA-N	0	3	279.300	0.627	10	5		CCBEHN
CN1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])cn3)[C@H]2C1	ZINC000284527560	277154703	/nfs/dbraw/zinc/15/47/03/277154703.db2.gz	KQUYLPAKCJOTRJ-RYUDHWBXSA-N	0	3	278.312	0.899	10	5		CCBEHN
CNCCS(=O)(=O)N(C)c1ccc([N+](=O)[O-])cc1	ZINC000049630105	522011065	/nfs/dbraw/zinc/01/10/65/522011065.db2.gz	OUYOAXCIYQPWBS-UHFFFAOYSA-N	0	3	273.314	0.580	10	5		CCBEHN
O=[N+]([O-])c1ccc2ncnc(NC[C@H]3CNCCO3)c2c1	ZINC000157400014	350644077	/nfs/dbraw/zinc/64/40/77/350644077.db2.gz	INPNDWHFSUSNRT-SNVBAGLBSA-N	0	3	289.295	0.938	10	5		CCBEHN
Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)C[C@@H](O)C1	ZINC000401518735	357799715	/nfs/dbraw/zinc/79/97/15/357799715.db2.gz	AOUOPOUUCMGCMG-MWLCHTKSSA-N	0	3	268.317	0.802	10	5		CCBEHN
NCc1ccc(O[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000038084431	174094580	/nfs/dbraw/zinc/09/45/80/174094580.db2.gz	XTCUMDWOJHMRGU-VIFPVBQESA-N	0	3	286.309	0.619	10	5		CCBEHN
O=[N+]([O-])c1ccc(S(=O)(=O)C[C@H]2CCCCN2)nc1	ZINC000095091920	349589957	/nfs/dbraw/zinc/58/99/57/349589957.db2.gz	CNNMFTBAHZBEIA-SECBINFHSA-N	0	3	285.325	0.906	10	5		CCBEHN
CN(C)C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCO1	ZINC000116793827	349873082	/nfs/dbraw/zinc/87/30/82/349873082.db2.gz	HQMJVAMXOMTIHR-ZDUSSCGKSA-N	0	3	293.323	0.997	10	5		CCBEHN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](N(C)C)C1	ZINC000170855027	350867964	/nfs/dbraw/zinc/86/79/64/350867964.db2.gz	WAZNLORQQYZCRY-NSHDSACASA-N	0	3	295.343	0.652	10	5		CCBEHN
C[C@@H](O)CN1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C	ZINC000176232378	351163229	/nfs/dbraw/zinc/16/32/29/351163229.db2.gz	KSSTXGAEVMDTML-VXGBXAGGSA-N	0	3	297.359	0.178	10	5		CCBEHN
Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H](N)[C@H](F)C1	ZINC000220374581	351972838	/nfs/dbraw/zinc/97/28/38/351972838.db2.gz	ITODKGMPWUTPFP-HTQZYQBOSA-N	0	3	257.269	0.594	10	5		CCBEHN
Nc1ccc(N2CCN3CCC[C@H]3C2)nc1[N+](=O)[O-]	ZINC000311776783	354203161	/nfs/dbraw/zinc/20/31/61/354203161.db2.gz	HIDGOBWDRFPUNT-VIFPVBQESA-N	0	3	263.301	0.856	10	5		CCBEHN
O=[N+]([O-])c1cccc(CN[C@H]2CCOC[C@@H]2O)c1	ZINC000599012463	361555310	/nfs/dbraw/zinc/55/53/10/361555310.db2.gz	QZVAQFMGCYWFMR-RYUDHWBXSA-N	0	3	252.270	0.834	10	5		CCBEHN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](N(C)C)C1	ZINC000170864329	350869906	/nfs/dbraw/zinc/86/99/06/350869906.db2.gz	OFPKEJQNEBIRNW-JTQLQIEISA-N	0	3	281.316	0.262	10	5		CCBEHN
Cn1cnc([N+](=O)[O-])c1N1CCN2CCC[C@H]2C1	ZINC000298436434	353963312	/nfs/dbraw/zinc/96/33/12/353963312.db2.gz	AXSZATNCOULXQS-VIFPVBQESA-N	0	3	251.290	0.613	10	5		CCBEHN
O=[N+]([O-])c1ccc(CCN2C[C@H](O)C[C@@H]2CO)cc1	ZINC000179180697	189175116	/nfs/dbraw/zinc/17/51/16/189175116.db2.gz	ATNRGWBFIDTVMF-CHWSQXEVSA-N	0	3	266.297	0.565	10	5		CCBEHN
Cc1n[nH]c(C(=O)N2CC[C@H](N(C)C)C2)c1[N+](=O)[O-]	ZINC000263994781	190088100	/nfs/dbraw/zinc/08/81/00/190088100.db2.gz	HYCHBLJQYCPTLW-QMMMGPOBSA-N	0	3	267.289	0.402	10	5		CCBEHN
Cc1[nH]nc(C(=O)N2CC[C@H](N(C)C)C2)c1[N+](=O)[O-]	ZINC000263994781	190088101	/nfs/dbraw/zinc/08/81/01/190088101.db2.gz	HYCHBLJQYCPTLW-QMMMGPOBSA-N	0	3	267.289	0.402	10	5		CCBEHN
CNC(=O)[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)C(C)C	ZINC000183638205	388760625	/nfs/dbraw/zinc/76/06/25/388760625.db2.gz	SVKQZIGKDUKOHO-GFCCVEGCSA-N	0	3	296.327	0.117	10	5		CCBEHN
CN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])cn3)[C@@H]2C1	ZINC000284527574	388778658	/nfs/dbraw/zinc/77/86/58/388778658.db2.gz	KQUYLPAKCJOTRJ-VXGBXAGGSA-N	0	3	278.312	0.899	10	5		CCBEHN
COCC[C@H]([NH3+])C(=O)Nc1ccc([O-])cc1[N+](=O)[O-]	ZINC000052791715	521946205	/nfs/dbraw/zinc/94/62/05/521946205.db2.gz	FZPJZMVWFNZIGD-QMMMGPOBSA-N	0	3	269.257	0.603	10	5		CCBEHN
NC(=O)[C@H](N)CCOc1cc(F)ccc1[N+](=O)[O-]	ZINC000062540102	526993449	/nfs/dbraw/zinc/99/34/49/526993449.db2.gz	XBGYECAVHNQSQA-SSDOTTSWSA-N	0	3	257.221	0.315	10	5		CCBEHN
COC(=O)[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C	ZINC000227824770	637038323	/nfs/dbraw/zinc/03/83/23/637038323.db2.gz	ABSSEJNTGMZFJX-ONGXEEELSA-N	0	3	296.327	0.841	10	5		CCBEHN
O=[N+]([O-])c1ccc([S@@](=O)[C@@H]2CCCNC2)nc1	ZINC000095091945	349589949	/nfs/dbraw/zinc/58/99/49/349589949.db2.gz	GJXMIFJVUGKLLU-VVVCHXIZSA-N	0	3	255.299	0.849	10	5		CCBEHN
NC[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(F)(F)F	ZINC000401766540	357805667	/nfs/dbraw/zinc/80/56/67/357805667.db2.gz	GRBBYTLUTGMXAQ-YFKPBYRVSA-N	0	3	266.179	0.542	10	5		CCBEHN
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CNCCOC1	ZINC000591590770	359603100	/nfs/dbraw/zinc/60/31/00/359603100.db2.gz	YNQNQUJYYMWADL-VIFPVBQESA-N	0	3	265.269	0.769	10	5		CCBEHN
CCc1nn(C)c(N2CCO[C@H](CN(C)C)C2)c1[N+](=O)[O-]	ZINC000129189328	389183392	/nfs/dbraw/zinc/18/33/92/389183392.db2.gz	UCVUWDYSNMYHMU-SNVBAGLBSA-N	0	3	297.359	0.658	10	5		CCBEHN
CN(C)C(=O)CNCCOc1ccc([N+](=O)[O-])cc1	ZINC000038079426	174089124	/nfs/dbraw/zinc/08/91/24/174089124.db2.gz	KOMGJOCMESQIGF-UHFFFAOYSA-N	0	3	267.285	0.651	10	5		CCBEHN
Cn1ncc([N+](=O)[O-])c1N1CCC[C@H](N)[C@H](F)C1	ZINC000220374516	351972353	/nfs/dbraw/zinc/97/23/53/351972353.db2.gz	ITODKGMPWUTPFP-SFYZADRCSA-N	0	3	257.269	0.594	10	5		CCBEHN
COc1ccc(CN[C@@H]2CCOC[C@@H]2O)cc1[N+](=O)[O-]	ZINC000599010508	361553995	/nfs/dbraw/zinc/55/39/95/361553995.db2.gz	AFJFFQZZRXNHSH-PWSUYJOCSA-N	0	3	282.296	0.843	10	5		CCBEHN
Cc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2)cc1[N+](=O)[O-]	ZINC000020434507	171200170	/nfs/dbraw/zinc/20/01/70/171200170.db2.gz	LYFNINPITLGHGD-UWVGGRQHSA-N	0	3	265.269	0.565	10	5		CCBEHN
NCc1ccc(O[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000038084430	174094376	/nfs/dbraw/zinc/09/43/76/174094376.db2.gz	XTCUMDWOJHMRGU-SECBINFHSA-N	0	3	286.309	0.619	10	5		CCBEHN
CN[C@@H](CCOc1cccc([N+](=O)[O-])c1)C(N)=O	ZINC000062539296	522350060	/nfs/dbraw/zinc/35/00/60/522350060.db2.gz	LITCVIKSXKORBG-JTQLQIEISA-N	0	3	253.258	0.437	10	5		CCBEHN
COc1ccc([N+](=O)[O-])cc1OCC[C@@H](N)C(N)=O	ZINC000062540330	525472623	/nfs/dbraw/zinc/47/26/23/525472623.db2.gz	JAWSHCBBOKMUBC-MRVPVSSYSA-N	0	3	269.257	0.185	10	5		CCBEHN
CC1(C)C[NH2+][C@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000757070080	581939411	/nfs/dbraw/zinc/93/94/11/581939411.db2.gz	NZLXDISMRQNPAF-NSHDSACASA-N	0	3	299.352	0.871	10	5		CCBEHN
O=[N+]([O-])c1cccnc1[S@@](=O)[C@H]1CCCNC1	ZINC000095091876	349589905	/nfs/dbraw/zinc/58/99/05/349589905.db2.gz	QCZNWFTWNFCLLN-WNWIJWBNSA-N	0	3	255.299	0.849	10	5		CCBEHN
O=[N+]([O-])c1ccc(CN[C@@H]2CCOC[C@@H]2O)cc1	ZINC000599013235	361555977	/nfs/dbraw/zinc/55/59/77/361555977.db2.gz	YLGFVHSLCADGHS-NEPJUHHUSA-N	0	3	252.270	0.834	10	5		CCBEHN
C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000246066889	285001975	/nfs/dbraw/zinc/00/19/75/285001975.db2.gz	YYPACYTYFQNENX-ZJUUUORDSA-N	0	3	293.327	0.637	10	5		CCBEHN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCN3CCC[C@@H]3C2)n1	ZINC000191804980	227179589	/nfs/dbraw/zinc/17/95/89/227179589.db2.gz	FFKVGJXALWSETG-SNVBAGLBSA-N	0	3	293.327	0.731	10	5		CCBEHN
CN[C@@H](CCOc1ccc(F)cc1[N+](=O)[O-])C(N)=O	ZINC000062595958	522348974	/nfs/dbraw/zinc/34/89/74/522348974.db2.gz	VZURUFXQRPDPJH-QMMMGPOBSA-N	0	3	271.248	0.576	10	5		CCBEHN
CCN1CCC[C@@H]1CN(C)C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000127221822	187290582	/nfs/dbraw/zinc/29/05/82/187290582.db2.gz	GCJKXAHXDXLFOU-SECBINFHSA-N	0	3	281.316	0.874	10	5		CCBEHN
CCc1nn(C)c(N2CCO[C@@H](CN(C)C)C2)c1[N+](=O)[O-]	ZINC000129189526	187416302	/nfs/dbraw/zinc/41/63/02/187416302.db2.gz	UCVUWDYSNMYHMU-JTQLQIEISA-N	0	3	297.359	0.658	10	5		CCBEHN
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN2CCC[C@@H]2C1	ZINC000408087214	357913090	/nfs/dbraw/zinc/91/30/90/357913090.db2.gz	AODPYDMRTXEFKM-SECBINFHSA-N	0	3	264.285	0.843	10	5		CCBEHN
CN(C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1	ZINC000285433958	196283728	/nfs/dbraw/zinc/28/37/28/196283728.db2.gz	WXQCLOPRIWGEOX-ZETCQYMHSA-N	0	3	253.262	0.094	10	5		CCBEHN
[NH3+][C@@H]1C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000036263967	172557077	/nfs/dbraw/zinc/55/70/77/172557077.db2.gz	QLUWFZVVRYMXJH-SFYZADRCSA-N	0	3	291.716	0.626	10	5		CCBEHN
CN[C@@H](CCOc1ccc(C)cc1[N+](=O)[O-])C(N)=O	ZINC000062541851	522350243	/nfs/dbraw/zinc/35/02/43/522350243.db2.gz	ITJWELWUYGBRAS-VIFPVBQESA-N	0	3	267.285	0.745	10	5		CCBEHN
O=[N+]([O-])c1ccc(NC[C@H]2CNCCO2)c([N+](=O)[O-])c1	ZINC000157406808	624870851	/nfs/dbraw/zinc/87/08/51/624870851.db2.gz	LXZVGDHEXABINX-SECBINFHSA-N	0	3	282.256	0.903	10	5		CCBEHN
O=[N+]([O-])c1ccn(CCN2CC[C@H](N3CCOCC3)C2)n1	ZINC000176269148	351166213	/nfs/dbraw/zinc/16/62/13/351166213.db2.gz	VKPSMOYSYGUGAR-LBPRGKRZSA-N	0	3	295.343	0.198	10	5		CCBEHN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN2CCC[C@H]2C1	ZINC000179659531	189211118	/nfs/dbraw/zinc/21/11/18/189211118.db2.gz	DLTKUDPKYJGRDB-QMMMGPOBSA-N	0	3	265.273	0.238	10	5		CCBEHN
O=[N+]([O-])c1ccc2nc(N3CCNCC3)cnc2c1	ZINC000025964598	285149306	/nfs/dbraw/zinc/14/93/06/285149306.db2.gz	BGTFKMGKEHWOMQ-UHFFFAOYSA-N	0	3	259.269	0.948	10	5		CCBEHN
C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCO1	ZINC000183234697	525375369	/nfs/dbraw/zinc/37/53/69/525375369.db2.gz	LTHPXOIXGOPQOS-JQWIXIFHSA-N	0	3	281.312	0.914	10	5		CCBEHN
COCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000105688707	186067921	/nfs/dbraw/zinc/06/79/21/186067921.db2.gz	VDYCWOYCMZQLIE-SNVBAGLBSA-N	0	3	270.285	0.571	10	5		CCBEHN
Cc1nn(C)c(C(=O)N2CC[C@@H](N(C)C)C2)c1[N+](=O)[O-]	ZINC000408020113	357870236	/nfs/dbraw/zinc/87/02/36/357870236.db2.gz	CJQNYOYRFXWWAD-SECBINFHSA-N	0	3	281.316	0.413	10	5		CCBEHN
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CNCCOC1	ZINC000591590766	359603519	/nfs/dbraw/zinc/60/35/19/359603519.db2.gz	YNQNQUJYYMWADL-SECBINFHSA-N	0	3	265.269	0.769	10	5		CCBEHN
O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CNCCOC1	ZINC000591593286	359604705	/nfs/dbraw/zinc/60/47/05/359604705.db2.gz	GYCCWOHSTAQNQG-LLVKDONJSA-N	0	3	279.296	0.447	10	5		CCBEHN
COc1ccc(CN[C@H]2CCOC[C@H]2O)cc1[N+](=O)[O-]	ZINC000599010501	361554306	/nfs/dbraw/zinc/55/43/06/361554306.db2.gz	AFJFFQZZRXNHSH-CMPLNLGQSA-N	0	3	282.296	0.843	10	5		CCBEHN
CNCc1cc([N+](=O)[O-])ccc1OCC(=O)NC	ZINC000035414640	172188363	/nfs/dbraw/zinc/18/83/63/172188363.db2.gz	OERJUAOAHOQIGP-UHFFFAOYSA-N	0	3	253.258	0.439	10	5		CCBEHN
O=[N+]([O-])c1cnc2ccc(N3CCN4CCC[C@H]4C3)nn21	ZINC000245569945	275041661	/nfs/dbraw/zinc/04/16/61/275041661.db2.gz	GJUXVICTZLWOQF-JTQLQIEISA-N	0	3	288.311	0.922	10	5		CCBEHN
COCC[C@@H]([NH3+])C(=O)Nc1ccc([O-])cc1[N+](=O)[O-]	ZINC000052791716	521829766	/nfs/dbraw/zinc/82/97/66/521829766.db2.gz	FZPJZMVWFNZIGD-MRVPVSSYSA-N	0	3	269.257	0.603	10	5		CCBEHN
C[NH2+]CCS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1	ZINC000049629994	522013613	/nfs/dbraw/zinc/01/36/13/522013613.db2.gz	BQNLABIURBMSRW-UHFFFAOYSA-N	0	3	273.314	0.864	10	5		CCBEHN
CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H](CN)C(F)(F)F	ZINC000595994685	360769017	/nfs/dbraw/zinc/76/90/17/360769017.db2.gz	IPTSZIJVGIFETI-ZETCQYMHSA-N	0	3	280.206	0.885	10	5		CCBEHN
O=[N+]([O-])c1cccnc1S(=O)(=O)[C@@H]1CCNC1	ZINC000095091845	285167394	/nfs/dbraw/zinc/16/73/94/285167394.db2.gz	CLNQWAIUORHOSG-SSDOTTSWSA-N	0	3	257.271	0.125	10	5		CCBEHN
CN(C)c1ncc([C@H]2NC(=O)CCC2[N+](=O)[O-])cn1	ZINC000238856640	389200448	/nfs/dbraw/zinc/20/04/48/389200448.db2.gz	WRYOIUCGBXXRLK-PSASIEDQSA-N	0	3	265.273	0.139	10	5		CCBEHN
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H](O)CN1	ZINC000261566627	131152308	/nfs/dbraw/zinc/15/23/08/131152308.db2.gz	ZHFAWZSABDVNFX-UWVGGRQHSA-N	0	3	251.242	0.256	10	5		CCBEHN
CN(C)C[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC000152990237	615930985	/nfs/dbraw/zinc/93/09/85/615930985.db2.gz	SHMQIXXRWNKOSH-LLVKDONJSA-N	0	3	269.305	0.011	10	5		CCBEHN
CN(C)C[C@H]1CN(Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC000152990362	615947301	/nfs/dbraw/zinc/94/73/01/615947301.db2.gz	SHMQIXXRWNKOSH-NSHDSACASA-N	0	3	269.305	0.011	10	5		CCBEHN
CN(C)[C@@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1	ZINC000408094867	137836212	/nfs/dbraw/zinc/83/62/12/137836212.db2.gz	JJRHRWCUBAWEQD-MRVPVSSYSA-N	0	3	267.289	0.104	10	5		CCBEHN
CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CN)C(F)(F)F	ZINC000596000758	360772317	/nfs/dbraw/zinc/77/23/17/360772317.db2.gz	ONNBZGISIXNJJY-ZETCQYMHSA-N	0	3	295.221	0.139	10	5		CCBEHN
C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000285569978	388794097	/nfs/dbraw/zinc/79/40/97/388794097.db2.gz	SKWXZAPWERFXBG-IUCAKERBSA-N	0	3	279.300	0.627	10	5		CCBEHN
CCNC(=O)COc1ccc([N+](=O)[O-])cc1CN	ZINC000035414591	172188775	/nfs/dbraw/zinc/18/87/75/172188775.db2.gz	GRIAUAUQSAMSQT-UHFFFAOYSA-N	0	3	253.258	0.568	10	5		CCBEHN
O=[N+]([O-])c1ccc2oc(S(=O)(=O)[C@@H]3CCNC3)nc2c1	ZINC000095092148	349590028	/nfs/dbraw/zinc/59/00/28/349590028.db2.gz	VUTYXNHSWKWBHO-MRVPVSSYSA-N	0	3	297.292	0.872	10	5		CCBEHN
CCc1n[nH]c(C(=O)N2CCN3CCC[C@H]3C2)c1[N+](=O)[O-]	ZINC000171805719	350935512	/nfs/dbraw/zinc/93/55/12/350935512.db2.gz	ZIEMPGGRAKRWBP-VIFPVBQESA-N	0	3	293.327	0.801	10	5		CCBEHN
CCc1[nH]nc(C(=O)N2CCN3CCC[C@H]3C2)c1[N+](=O)[O-]	ZINC000171805719	350935516	/nfs/dbraw/zinc/93/55/16/350935516.db2.gz	ZIEMPGGRAKRWBP-VIFPVBQESA-N	0	3	293.327	0.801	10	5		CCBEHN
CN(C)C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCO1	ZINC000174851366	351107839	/nfs/dbraw/zinc/10/78/39/351107839.db2.gz	DWHYYUWDRBRGJB-LBPRGKRZSA-N	0	3	283.332	0.054	10	5		CCBEHN
CC[C@H](O)CN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1	ZINC000176248369	351164992	/nfs/dbraw/zinc/16/49/92/351164992.db2.gz	VVRKHYSFHNMYFA-LBPRGKRZSA-N	0	3	297.359	0.180	10	5		CCBEHN
CC(C)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000236753746	352209989	/nfs/dbraw/zinc/20/99/89/352209989.db2.gz	BBTBEOUWHZGGKL-NWDGAFQWSA-N	0	3	254.286	0.987	10	5		CCBEHN
CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H](CN)C(F)(F)F	ZINC000596005159	360773412	/nfs/dbraw/zinc/77/34/12/360773412.db2.gz	VCJRFAVGVABGLH-QMMMGPOBSA-N	0	3	294.233	0.895	10	5		CCBEHN
O=[N+]([O-])c1cccc(CN[C@@H]2CCOC[C@@H]2O)c1	ZINC000599012267	361554982	/nfs/dbraw/zinc/55/49/82/361554982.db2.gz	QZVAQFMGCYWFMR-NEPJUHHUSA-N	0	3	252.270	0.834	10	5		CCBEHN
C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000285569976	388794442	/nfs/dbraw/zinc/79/44/42/388794442.db2.gz	SKWXZAPWERFXBG-DTWKUNHWSA-N	0	3	279.300	0.627	10	5		CCBEHN
CCOC(=O)C1CC2(C1)NC(=O)CCC2[N+](=O)[O-]	ZINC000238851163	389200682	/nfs/dbraw/zinc/20/06/82/389200682.db2.gz	FPVFKMALWHOZHU-KAIZJQOQSA-N	0	3	256.258	0.254	10	5		CCBEHN
O=[N+]([O-])c1ccc([S@](=O)[C@H]2CCCNC2)nc1	ZINC000095091948	349590108	/nfs/dbraw/zinc/59/01/08/349590108.db2.gz	GJXMIFJVUGKLLU-XYZCENFISA-N	0	3	255.299	0.849	10	5		CCBEHN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](N(C)C)C1	ZINC000170855029	350867844	/nfs/dbraw/zinc/86/78/44/350867844.db2.gz	WAZNLORQQYZCRY-LLVKDONJSA-N	0	3	295.343	0.652	10	5		CCBEHN
O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CNCCOC1	ZINC000591594395	359604252	/nfs/dbraw/zinc/60/42/52/359604252.db2.gz	WNMISWGRKKZFTL-LLVKDONJSA-N	0	3	279.296	0.447	10	5		CCBEHN
O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CNCCOC1	ZINC000591594595	359604499	/nfs/dbraw/zinc/60/44/99/359604499.db2.gz	ZWVFMBVMZRHRLT-LLVKDONJSA-N	0	3	279.296	0.447	10	5		CCBEHN
CN(C)[C@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1	ZINC000408094868	137835985	/nfs/dbraw/zinc/83/59/85/137835985.db2.gz	JJRHRWCUBAWEQD-QMMMGPOBSA-N	0	3	267.289	0.104	10	5		CCBEHN
CCCN1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC000074258560	348983180	/nfs/dbraw/zinc/98/31/80/348983180.db2.gz	TXKHULFXERKFPR-UHFFFAOYSA-N	0	3	280.332	0.889	10	5		CCBEHN
NC(=O)[C@@H](N)CCSc1ccccc1[N+](=O)[O-]	ZINC000062596679	526955182	/nfs/dbraw/zinc/95/51/82/526955182.db2.gz	FUYVJPPRKUBEHH-ZETCQYMHSA-N	0	3	255.299	0.890	10	5		CCBEHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1	ZINC000153887194	188109864	/nfs/dbraw/zinc/10/98/64/188109864.db2.gz	XRTJPDKMZLXTIK-BDAKNGLRSA-N	0	3	281.316	0.776	10	5		CCBEHN
CCNCc1cc([N+](=O)[O-])ccc1OCC(N)=O	ZINC000035414699	172188509	/nfs/dbraw/zinc/18/85/09/172188509.db2.gz	JXNITPMBAZRUSM-UHFFFAOYSA-N	0	3	253.258	0.568	10	5		CCBEHN
CC(C)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000236754253	352210275	/nfs/dbraw/zinc/21/02/75/352210275.db2.gz	BBTBEOUWHZGGKL-NEPJUHHUSA-N	0	3	254.286	0.987	10	5		CCBEHN
CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H](CN)C(F)(F)F	ZINC000596005158	360773297	/nfs/dbraw/zinc/77/32/97/360773297.db2.gz	VCJRFAVGVABGLH-MRVPVSSYSA-N	0	3	294.233	0.895	10	5		CCBEHN
O=[N+]([O-])c1ccc(OCCCN2C[C@H](O)C[C@@H]2CO)cc1	ZINC000185170308	388790537	/nfs/dbraw/zinc/79/05/37/388790537.db2.gz	CCNXQMJAQNTGAF-CHWSQXEVSA-N	0	3	296.323	0.791	10	5		CCBEHN
Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2N)cc1[N+](=O)[O-]	ZINC000036263954	172557393	/nfs/dbraw/zinc/55/73/93/172557393.db2.gz	AVILPTZPSCYRHA-RKDXNWHRSA-N	0	3	271.298	0.281	10	5		CCBEHN
COCC[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000052791204	521827755	/nfs/dbraw/zinc/82/77/55/521827755.db2.gz	LCXWYCGZPQRIAL-SNVBAGLBSA-N	0	3	253.258	0.897	10	5		CCBEHN
CN[C@H](CCOc1cc(C)ccc1[N+](=O)[O-])C(N)=O	ZINC000062539875	522462346	/nfs/dbraw/zinc/46/23/46/522462346.db2.gz	CHOIYTLJQFNWML-SECBINFHSA-N	0	3	267.285	0.745	10	5		CCBEHN
O=[N+]([O-])c1cccc(NS(=O)(=O)N2CCNCC2)c1	ZINC000034939024	348153471	/nfs/dbraw/zinc/15/34/71/348153471.db2.gz	MKNJEGNMNHMXHC-UHFFFAOYSA-N	0	3	286.313	0.157	10	5		CCBEHN
CC(C)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000236753716	352210149	/nfs/dbraw/zinc/21/01/49/352210149.db2.gz	BBTBEOUWHZGGKL-RYUDHWBXSA-N	0	3	254.286	0.987	10	5		CCBEHN
CN(C)C(=O)COc1ccc([N+](=O)[O-])cc1CN	ZINC000035414588	172188600	/nfs/dbraw/zinc/18/86/00/172188600.db2.gz	PQDQYCORHQDMMD-UHFFFAOYSA-N	0	3	253.258	0.521	10	5		CCBEHN
O=[N+]([O-])c1ccc(CNCCCN2CCOCC2)o1	ZINC000037232281	173051302	/nfs/dbraw/zinc/05/13/02/173051302.db2.gz	QFHWBAIERHDALA-UHFFFAOYSA-N	0	3	269.301	1.000	10	5		CCBEHN
Cc1nn(CN2CCO[C@@H](CN(C)C)C2)c(C)c1[N+](=O)[O-]	ZINC000153010447	637652024	/nfs/dbraw/zinc/65/20/24/637652024.db2.gz	HEECAMDRYCOMCT-LBPRGKRZSA-N	0	3	297.359	0.628	10	5		CCBEHN
CN(C)C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCO1	ZINC000193415790	389069055	/nfs/dbraw/zinc/06/90/55/389069055.db2.gz	ORSPZTJWFLLZGT-NSHDSACASA-N	0	3	280.328	0.944	10	5		CCBEHN
CN(C)C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CCO1	ZINC000192451644	389037302	/nfs/dbraw/zinc/03/73/02/389037302.db2.gz	FQCTYHWSRIICEB-MRVPVSSYSA-N	0	3	272.330	0.818	10	5		CCBEHN
CN[C@@H](CCOc1ccc([N+](=O)[O-])cc1F)C(N)=O	ZINC000062540910	522349933	/nfs/dbraw/zinc/34/99/33/522349933.db2.gz	VFYBMEHGAZJIRJ-VIFPVBQESA-N	0	3	271.248	0.576	10	5		CCBEHN
NC(=O)[C@@H](N)CCOc1cc(F)ccc1[N+](=O)[O-]	ZINC000062540096	526955287	/nfs/dbraw/zinc/95/52/87/526955287.db2.gz	XBGYECAVHNQSQA-ZETCQYMHSA-N	0	3	257.221	0.315	10	5		CCBEHN
O=[N+]([O-])c1ccc(NC[C@@H]2CNCCO2)c2nonc21	ZINC000157401420	527365106	/nfs/dbraw/zinc/36/51/06/527365106.db2.gz	BMPOEHOQFDMGKE-ZETCQYMHSA-N	0	3	279.256	0.531	10	5		CCBEHN
O=[N+]([O-])c1ccc([S@](=O)[C@@H]2CCCNC2)nc1	ZINC000095091946	349589838	/nfs/dbraw/zinc/58/98/38/349589838.db2.gz	GJXMIFJVUGKLLU-XLFHBGCDSA-N	0	3	255.299	0.849	10	5		CCBEHN
Cc1n[nH]c(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1[N+](=O)[O-]	ZINC000264961053	352610999	/nfs/dbraw/zinc/61/09/99/352610999.db2.gz	NKUJDIYRWJFCKX-SCZZXKLOSA-N	0	3	293.327	0.935	10	5		CCBEHN
O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CNCCOC1	ZINC000591593292	359604679	/nfs/dbraw/zinc/60/46/79/359604679.db2.gz	GYCCWOHSTAQNQG-NSHDSACASA-N	0	3	279.296	0.447	10	5		CCBEHN
CNC(=O)[C@H](NCCn1ccc([N+](=O)[O-])n1)C(C)C	ZINC000183636201	388759719	/nfs/dbraw/zinc/75/97/19/388759719.db2.gz	AVHRHLLWSDEJPU-SNVBAGLBSA-N	0	3	269.305	0.152	10	5		CCBEHN
O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN2CCC[C@@H]2C1	ZINC000285284131	196240044	/nfs/dbraw/zinc/24/00/44/196240044.db2.gz	FVKVZJFWHXPFES-MRVPVSSYSA-N	0	3	265.273	0.238	10	5		CCBEHN
CCNC(=O)COc1cc(CN)ccc1[N+](=O)[O-]	ZINC000050516604	521738340	/nfs/dbraw/zinc/73/83/40/521738340.db2.gz	JXWKXXPMMIKVDB-UHFFFAOYSA-N	0	3	253.258	0.568	10	5		CCBEHN
O=[N+]([O-])c1cnn(CCN2CC[C@@H](N3CCOCC3)C2)c1	ZINC000174876837	351108937	/nfs/dbraw/zinc/10/89/37/351108937.db2.gz	JTBZNVMOJIBCSY-GFCCVEGCSA-N	0	3	295.343	0.198	10	5		CCBEHN
Nc1ccc(N2CCN3CCC[C@@H]3C2)nc1[N+](=O)[O-]	ZINC000311776780	354203426	/nfs/dbraw/zinc/20/34/26/354203426.db2.gz	HIDGOBWDRFPUNT-SECBINFHSA-N	0	3	263.301	0.856	10	5		CCBEHN
O=[N+]([O-])c1ccc(OCCCN2C[C@@H](O)C[C@@H]2CO)cc1	ZINC000185170329	388790228	/nfs/dbraw/zinc/79/02/28/388790228.db2.gz	CCNXQMJAQNTGAF-OLZOCXBDSA-N	0	3	296.323	0.791	10	5		CCBEHN
CN(C)c1ncnc(N(C)C2CCN(C)CC2)c1[N+](=O)[O-]	ZINC000040608613	174353431	/nfs/dbraw/zinc/35/34/31/174353431.db2.gz	CYVUXEALMSTAOR-UHFFFAOYSA-N	0	3	294.359	0.981	10	5		CCBEHN
Cn1cnc([N+](=O)[O-])c1N1CCN2CCC[C@@H]2C1	ZINC000029587333	348113088	/nfs/dbraw/zinc/11/30/88/348113088.db2.gz	AXSZATNCOULXQS-SECBINFHSA-N	0	3	251.290	0.613	10	5		CCBEHN
O=[N+]([O-])c1cnn(CCN2CC[C@H](N3CCOCC3)C2)c1	ZINC000174876824	351109098	/nfs/dbraw/zinc/10/90/98/351109098.db2.gz	JTBZNVMOJIBCSY-LBPRGKRZSA-N	0	3	295.343	0.198	10	5		CCBEHN
O=[N+]([O-])c1ccn(CCN2CCN3CCCC[C@@H]3C2)n1	ZINC000177760634	351212603	/nfs/dbraw/zinc/21/26/03/351212603.db2.gz	ZCQDJCRJWRLFLX-GFCCVEGCSA-N	0	3	279.344	0.961	10	5		CCBEHN
COc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2)cc1[N+](=O)[O-]	ZINC000312179781	354206832	/nfs/dbraw/zinc/20/68/32/354206832.db2.gz	UMQJYAWFYHUWAF-RKDXNWHRSA-N	0	3	281.268	0.265	10	5		CCBEHN
CNCCS(=O)(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000049630260	522014040	/nfs/dbraw/zinc/01/40/40/522014040.db2.gz	XZQSFAIGVXVJLO-UHFFFAOYSA-N	0	3	273.314	0.234	10	5		CCBEHN
CN(C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCO1	ZINC000116786519	349872075	/nfs/dbraw/zinc/87/20/75/349872075.db2.gz	NNFUKJQAQVTHDW-ZDUSSCGKSA-N	0	3	293.323	0.997	10	5		CCBEHN
CN(C)[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1	ZINC000062984723	348674275	/nfs/dbraw/zinc/67/42/75/348674275.db2.gz	KMKWTHSEGCLELN-JTQLQIEISA-N	0	3	278.312	0.953	10	5		CCBEHN
CN1CCN(c2cccc([N+](=O)[O-])c2CN)CC1	ZINC000215646287	351936987	/nfs/dbraw/zinc/93/69/87/351936987.db2.gz	BZIGSWSBZQIGGC-UHFFFAOYSA-N	0	3	250.302	0.805	10	5		CCBEHN
O=[N+]([O-])c1ccc2nc([S@@](=O)[C@@H]3CC[NH2+]C3)[n-]c2c1	ZINC000095092106	285141434	/nfs/dbraw/zinc/14/14/34/285141434.db2.gz	WIMCBOWXHVIUDZ-LILOVNGRSA-N	0	3	280.309	0.941	10	5		CCBEHN
O=[N+]([O-])c1ccc2[n-]c([S@@](=O)[C@@H]3CC[NH2+]C3)nc2c1	ZINC000095092106	285141435	/nfs/dbraw/zinc/14/14/35/285141435.db2.gz	WIMCBOWXHVIUDZ-LILOVNGRSA-N	0	3	280.309	0.941	10	5		CCBEHN
O=[N+]([O-])c1cccnc1S(=O)(=O)[C@H]1CCCNC1	ZINC000095091848	285167384	/nfs/dbraw/zinc/16/73/84/285167384.db2.gz	GTQXFZVNMGEDKF-QMMMGPOBSA-N	0	3	271.298	0.516	10	5		CCBEHN
CCNCc1cc([N+](=O)[O-])ccc1OCC(=O)NC	ZINC000035414697	172188504	/nfs/dbraw/zinc/18/85/04/172188504.db2.gz	JBCASFVCTQVOJZ-UHFFFAOYSA-N	0	3	267.285	0.829	10	5		CCBEHN
O=[N+]([O-])c1ccc(NC[C@@H]2CNCCO2)c([N+](=O)[O-])c1	ZINC000157406657	636938501	/nfs/dbraw/zinc/93/85/01/636938501.db2.gz	LXZVGDHEXABINX-VIFPVBQESA-N	0	3	282.256	0.903	10	5		CCBEHN
C[C@@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCN1	ZINC000052783412	348514655	/nfs/dbraw/zinc/51/46/55/348514655.db2.gz	RIZQPQZMKHGOMU-MRVPVSSYSA-N	0	3	289.295	0.629	10	5		CCBEHN
C[C@H](O)CN1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C	ZINC000246184331	352352442	/nfs/dbraw/zinc/35/24/42/352352442.db2.gz	KSSTXGAEVMDTML-RYUDHWBXSA-N	0	3	297.359	0.178	10	5		CCBEHN
NC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(F)(F)F	ZINC000401758788	357805035	/nfs/dbraw/zinc/80/50/35/357805035.db2.gz	ASULYYDJPLUUDL-ZCFIWIBFSA-N	0	3	266.179	0.542	10	5		CCBEHN
O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC[C@@H]2OCC[NH2+][C@H]2C1	ZINC000404073799	357815178	/nfs/dbraw/zinc/81/51/78/357815178.db2.gz	MNVHBFIULZMLIQ-UWVGGRQHSA-N	0	3	280.284	0.126	10	5		CCBEHN
CN(CCn1cc([N+](=O)[O-])cn1)CC1CC(O)C1	ZINC000190215757	130075290	/nfs/dbraw/zinc/07/52/90/130075290.db2.gz	VTBAYQLCWABYCG-UHFFFAOYSA-N	0	3	254.290	0.494	10	5		CCBEHN
C[C@@H](COc1ccc([N+](=O)[O-])cc1CN)C(N)=O	ZINC000035414506	172188678	/nfs/dbraw/zinc/18/86/78/172188678.db2.gz	VHZOJHLMUFQNKA-ZETCQYMHSA-N	0	3	253.258	0.554	10	5		CCBEHN
CNC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1CN	ZINC000035414522	172188748	/nfs/dbraw/zinc/18/87/48/172188748.db2.gz	YLWMBXGXZVIWRK-SSDOTTSWSA-N	0	3	253.258	0.567	10	5		CCBEHN
CNCc1cc([N+](=O)[O-])ccc1O[C@H](C)C(N)=O	ZINC000035414620	172188801	/nfs/dbraw/zinc/18/88/01/172188801.db2.gz	GTINMOBVGWEITH-SSDOTTSWSA-N	0	3	253.258	0.567	10	5		CCBEHN
CN[C@H](CCOc1ccc([N+](=O)[O-])cc1F)C(N)=O	ZINC000062540913	522463393	/nfs/dbraw/zinc/46/33/93/522463393.db2.gz	VFYBMEHGAZJIRJ-SECBINFHSA-N	0	3	271.248	0.576	10	5		CCBEHN
COCCN(C)CCNc1cc([N+](=O)[O-])ccn1	ZINC000061379540	523613795	/nfs/dbraw/zinc/61/37/95/523613795.db2.gz	AEAIRKXMDJXCPR-UHFFFAOYSA-N	0	3	254.290	0.980	10	5		CCBEHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[C@H]1CCNC1	ZINC000083309121	178380410	/nfs/dbraw/zinc/38/04/10/178380410.db2.gz	SRIHXDAAEAPHMQ-QMMMGPOBSA-N	0	3	256.283	0.730	10	5		CCBEHN
O=[N+]([O-])c1ccc(S(=O)(=O)[C@H]2CCCNC2)nc1	ZINC000095091917	349589798	/nfs/dbraw/zinc/58/97/98/349589798.db2.gz	MMRDIOGIWSGVTR-VIFPVBQESA-N	0	3	271.298	0.516	10	5		CCBEHN
NC[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(F)(F)F	ZINC000401766539	357806188	/nfs/dbraw/zinc/80/61/88/357806188.db2.gz	GRBBYTLUTGMXAQ-RXMQYKEDSA-N	0	3	266.179	0.542	10	5		CCBEHN
CN[C@@H](CCOc1cc(C)ccc1[N+](=O)[O-])C(N)=O	ZINC000062539873	522347325	/nfs/dbraw/zinc/34/73/25/522347325.db2.gz	CHOIYTLJQFNWML-VIFPVBQESA-N	0	3	267.285	0.745	10	5		CCBEHN
CN(C)c1ncc([C@H]2NC(=O)CCC2[N+](=O)[O-])cn1	ZINC000238856643	282323114	/nfs/dbraw/zinc/32/31/14/282323114.db2.gz	WRYOIUCGBXXRLK-WCBMZHEXSA-N	0	3	265.273	0.139	10	5		CCBEHN
CC(C)N1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H](C)C1	ZINC000153887290	188109715	/nfs/dbraw/zinc/10/97/15/188109715.db2.gz	XRTJPDKMZLXTIK-IUCAKERBSA-N	0	3	281.316	0.776	10	5		CCBEHN
O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CNCCOC1	ZINC000591594397	359604358	/nfs/dbraw/zinc/60/43/58/359604358.db2.gz	WNMISWGRKKZFTL-NSHDSACASA-N	0	3	279.296	0.447	10	5		CCBEHN
O=[N+]([O-])c1cnc2ccc(N3CCN4CCC[C@@H]4C3)nn21	ZINC000179304734	275041677	/nfs/dbraw/zinc/04/16/77/275041677.db2.gz	GJUXVICTZLWOQF-SNVBAGLBSA-N	0	3	288.311	0.922	10	5		CCBEHN
NC(=O)[C@H](N)CCOc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000062595793	526993803	/nfs/dbraw/zinc/99/38/03/526993803.db2.gz	FXNGRZZDHLTCST-SSDOTTSWSA-N	0	3	273.676	0.830	10	5		CCBEHN
Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](O)C[C@H]1C	ZINC000602930570	362892335	/nfs/dbraw/zinc/89/23/35/362892335.db2.gz	OKQFUCNVRWOZOX-MWLCHTKSSA-N	0	3	268.317	0.945	10	5		CCBEHN
CN(C)[C@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1	ZINC000408050528	357889531	/nfs/dbraw/zinc/88/95/31/357889531.db2.gz	DRSIOPSXIDZIDA-QMMMGPOBSA-N	0	3	267.289	0.104	10	5		CCBEHN
CNC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1CN	ZINC000035414521	172188306	/nfs/dbraw/zinc/18/83/06/172188306.db2.gz	YLWMBXGXZVIWRK-ZETCQYMHSA-N	0	3	253.258	0.567	10	5		CCBEHN
[NH3+][C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000036263930	172557383	/nfs/dbraw/zinc/55/73/83/172557383.db2.gz	QESFQZMUFXKKGK-RNFRBKRXSA-N	0	3	291.716	0.626	10	5		CCBEHN
CO[C@H]1CN[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000311079834	334729787	/nfs/dbraw/zinc/72/97/87/334729787.db2.gz	CMLGKBQIDSCPOC-GHMZBOCLSA-N	0	3	265.269	0.910	10	5		CCBEHN
CN[C@H](CCOc1ccc(F)cc1[N+](=O)[O-])C(N)=O	ZINC000062595960	522461302	/nfs/dbraw/zinc/46/13/02/522461302.db2.gz	VZURUFXQRPDPJH-MRVPVSSYSA-N	0	3	271.248	0.576	10	5		CCBEHN
CN(C)C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CCO1	ZINC000116790208	349872320	/nfs/dbraw/zinc/87/23/20/349872320.db2.gz	GQKNKUAYQHFSSF-NSHDSACASA-N	0	3	293.323	0.997	10	5		CCBEHN
CN[C@H](C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000054076476	348541086	/nfs/dbraw/zinc/54/10/86/348541086.db2.gz	LJNYESYEKHSWJE-LLVKDONJSA-N	0	3	292.339	0.851	10	5		CCBEHN
COC(=O)[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1	ZINC000133713088	350342350	/nfs/dbraw/zinc/34/23/50/350342350.db2.gz	ZCAAMHBLXNSFNA-LLVKDONJSA-N	0	3	296.327	0.985	10	5		CCBEHN
CN(CCO)CCN(C)Cc1cccc([N+](=O)[O-])c1	ZINC000598919365	361531757	/nfs/dbraw/zinc/53/17/57/361531757.db2.gz	MIZITWYKIBADDT-UHFFFAOYSA-N	0	3	267.329	0.951	10	5		CCBEHN
O=[N+]([O-])c1ccc(CN[C@H]2CCOC[C@@H]2O)cc1	ZINC000599013239	361555741	/nfs/dbraw/zinc/55/57/41/361555741.db2.gz	YLGFVHSLCADGHS-RYUDHWBXSA-N	0	3	252.270	0.834	10	5		CCBEHN
Cc1cc(C)c(OCC[C@H](N)C(N)=O)c([N+](=O)[O-])c1	ZINC000062595592	524311516	/nfs/dbraw/zinc/31/15/16/524311516.db2.gz	PWJZLDQMEQKGBF-VIFPVBQESA-N	0	3	267.285	0.793	10	5		CCBEHN
O=[N+]([O-])c1ccnc(S(=O)(=O)[N-][C@H]2CCC[NH2+]C2)c1	ZINC000095092091	349589924	/nfs/dbraw/zinc/58/99/24/349589924.db2.gz	NTPVRACBWPVEQB-QMMMGPOBSA-N	0	3	286.313	0.020	10	5		CCBEHN
O=[N+]([O-])c1ccc(CCN2C[C@@H](O)C[C@@H]2CO)cc1	ZINC000179180710	189175217	/nfs/dbraw/zinc/17/52/17/189175217.db2.gz	ATNRGWBFIDTVMF-OLZOCXBDSA-N	0	3	266.297	0.565	10	5		CCBEHN
CNC(=O)[C@H](NCCn1cc([N+](=O)[O-])cn1)C(C)C	ZINC000183635922	388760367	/nfs/dbraw/zinc/76/03/67/388760367.db2.gz	KBTZYPJJZXLHNX-SNVBAGLBSA-N	0	3	269.305	0.152	10	5		CCBEHN
CN(C)c1ncc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cn1	ZINC000238856642	389200660	/nfs/dbraw/zinc/20/06/60/389200660.db2.gz	WRYOIUCGBXXRLK-SCZZXKLOSA-N	0	3	265.273	0.139	10	5		CCBEHN
Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)C[C@H](O)C1	ZINC000401518736	357800203	/nfs/dbraw/zinc/80/02/03/357800203.db2.gz	AOUOPOUUCMGCMG-ONGXEEELSA-N	0	3	268.317	0.802	10	5		CCBEHN
O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC[C@H]2OCC[NH2+][C@H]2C1	ZINC000404073801	357814844	/nfs/dbraw/zinc/81/48/44/357814844.db2.gz	MNVHBFIULZMLIQ-VHSXEESVSA-N	0	3	280.284	0.126	10	5		CCBEHN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)CN(C)C	ZINC000588864433	359343738	/nfs/dbraw/zinc/34/37/38/359343738.db2.gz	IRVLYIUHERKWBV-SNVBAGLBSA-N	0	3	281.312	0.556	10	5		CCBEHN
CNc1cc(C(=O)NCCN(C)C)ccc1[N+](=O)[O-]	ZINC000054414382	522554874	/nfs/dbraw/zinc/55/48/74/522554874.db2.gz	OSKHSRBPXDDXOT-UHFFFAOYSA-N	0	3	266.301	0.928	10	5		CCBEHN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@]23C[C@H]2NCCC3)cc1	ZINC000757067144	581691938	/nfs/dbraw/zinc/69/19/38/581691938.db2.gz	RRQCXMLNMCNERG-VXGBXAGGSA-N	0	3	297.336	0.768	10	5		CCBEHN
O=[N+]([O-])c1ccnc(S(=O)(=O)[N-][C@@H]2CCC[NH2+]C2)c1	ZINC000095092090	349589930	/nfs/dbraw/zinc/58/99/30/349589930.db2.gz	NTPVRACBWPVEQB-MRVPVSSYSA-N	0	3	286.313	0.020	10	5		CCBEHN
CN(C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO1	ZINC000116798155	349874078	/nfs/dbraw/zinc/87/40/78/349874078.db2.gz	KTQOVXDHQBARTE-SECBINFHSA-N	0	3	283.284	0.590	10	5		CCBEHN
C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000157954221	188349133	/nfs/dbraw/zinc/34/91/33/188349133.db2.gz	VTGTZYFDDHVPCR-DTWKUNHWSA-N	0	3	279.300	0.627	10	5		CCBEHN
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)CN(C)C	ZINC000588864432	359343801	/nfs/dbraw/zinc/34/38/01/359343801.db2.gz	IRVLYIUHERKWBV-JTQLQIEISA-N	0	3	281.312	0.556	10	5		CCBEHN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN2CCC[C@@H]2C1	ZINC000179659514	189210804	/nfs/dbraw/zinc/21/08/04/189210804.db2.gz	DLTKUDPKYJGRDB-MRVPVSSYSA-N	0	3	265.273	0.238	10	5		CCBEHN
NN=c1nc[nH]c(NCCN2CCCCC2)c1[N+](=O)[O-]	ZINC000040622665	174355553	/nfs/dbraw/zinc/35/55/53/174355553.db2.gz	RXUHVKMMJJZIKV-UHFFFAOYSA-N	0	3	281.320	0.568	10	5		CCBEHN