smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1c(Cl)cccc1[N+](=O)[O-])N1C[C@H](O)[C@H](CO)C1	ZINC000317757789	775123501	/nfs/dbraw/zinc/12/35/01/775123501.db2.gz	ZPWIHUFHAYTORQ-XVKPBYJWSA-N	0	0	300.698	0.673	10	5		DCBERN
COC(=O)[C@@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000174699632	198372063	/nfs/dbraw/zinc/37/20/63/198372063.db2.gz	KVNFPYFOGXMQFG-RYUDHWBXSA-N	0	0	312.326	0.180	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)S(N)(=O)=O	ZINC000350629238	254321116	/nfs/dbraw/zinc/32/11/16/254321116.db2.gz	MGQIXNMTIFMNMU-QMMMGPOBSA-N	0	0	301.324	0.310	10	5		DCBERN
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@+]2([O-])CCC[C@H]12)[C@H](C)O	ZINC000248144664	257107973	/nfs/dbraw/zinc/10/79/73/257107973.db2.gz	DLNWZIVYKQXLTN-QZPUYBJASA-N	0	0	301.383	0.794	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCNC[C@@H]2C(F)F)cc1	ZINC000367471188	296508808	/nfs/dbraw/zinc/50/88/08/296508808.db2.gz	ZHRPFVGWCKLJDU-SNVBAGLBSA-N	0	0	321.305	0.822	10	5		DCBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCc2ncnn2C1	ZINC000113298571	395829425	/nfs/dbraw/zinc/82/94/25/395829425.db2.gz	SGXMYNJPZNMAOY-VIFPVBQESA-N	0	0	323.334	0.480	10	5		DCBERN
Cc1nc2cccc([N+](=O)[O-])c2c(=O)n1[C@H]1CCC(=O)NC1=O	ZINC000113477299	395830281	/nfs/dbraw/zinc/83/02/81/395830281.db2.gz	KHEXQYOPAOPUQQ-JTQLQIEISA-N	0	0	316.273	0.591	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCO	ZINC000234859434	395891342	/nfs/dbraw/zinc/89/13/42/395891342.db2.gz	PXJUPNDTYUIIRK-UHFFFAOYSA-N	0	0	304.324	0.654	10	5		DCBERN
CS(=O)(=O)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1	ZINC000054172968	395895466	/nfs/dbraw/zinc/89/54/66/395895466.db2.gz	UYOUVJRAYJEPOD-UHFFFAOYSA-N	0	0	305.381	0.734	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC(=O)N(C)C1	ZINC000133828728	395930023	/nfs/dbraw/zinc/93/00/23/395930023.db2.gz	ZUHUAOTYFSFQTJ-SECBINFHSA-N	0	0	307.306	0.954	10	5		DCBERN
CNC(=O)[C@@H]1CCCN1C(=O)COc1cccc([N+](=O)[O-])c1	ZINC000053324087	395880434	/nfs/dbraw/zinc/88/04/34/395880434.db2.gz	DNGUOQWUVUEHJC-LBPRGKRZSA-N	0	0	307.306	0.711	10	5		DCBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000248867129	395999624	/nfs/dbraw/zinc/99/96/24/395999624.db2.gz	TZHCAUZPGXLIKA-NDMJEZRESA-N	0	0	322.321	0.591	10	5		DCBERN
O=c1c([N+](=O)[O-])c(N2CCC3(C2)OCCO3)nc2ccccn21	ZINC000301201922	296527670	/nfs/dbraw/zinc/52/76/70/296527670.db2.gz	NAWSIFUJBFFIQX-UHFFFAOYSA-N	0	0	318.289	0.556	10	5		DCBERN
CCCCOCCNC(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000155872168	396058138	/nfs/dbraw/zinc/05/81/38/396058138.db2.gz	WNAIFOTTYWMCEL-UHFFFAOYSA-N	0	0	311.338	0.998	10	5		DCBERN
O=C(CNc1ccccc1[N+](=O)[O-])NC[C@]1(CCO)CCOC1	ZINC000152474548	396010613	/nfs/dbraw/zinc/01/06/13/396010613.db2.gz	HSCZGFPEPHPQCT-HNNXBMFYSA-N	0	0	323.349	0.912	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1C(=O)CCC1=O	ZINC000078703101	396252591	/nfs/dbraw/zinc/25/25/91/396252591.db2.gz	KBINDFNYDKJTTN-UHFFFAOYSA-N	0	0	305.290	0.782	10	5		DCBERN
COCCN1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1C	ZINC000184671784	396301572	/nfs/dbraw/zinc/30/15/72/396301572.db2.gz	ZEOKGYIGXAGVSI-JTQLQIEISA-N	0	0	323.353	0.365	10	5		DCBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O	ZINC000185518161	396329091	/nfs/dbraw/zinc/32/90/91/396329091.db2.gz	ZVDFMFSIMABLNB-OLZOCXBDSA-N	0	0	314.301	0.960	10	5		DCBERN
CCN1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O	ZINC000191565187	396421448	/nfs/dbraw/zinc/42/14/48/396421448.db2.gz	GRFVQZWDUJLDFK-NSHDSACASA-N	0	0	309.322	0.456	10	5		DCBERN
Cc1nn(C)c(N2CCN(S(C)(=O)=O)[C@H](C)C2)c1[N+](=O)[O-]	ZINC000596478392	396783326	/nfs/dbraw/zinc/78/33/26/396783326.db2.gz	MCEWPHLKFHIWHA-MRVPVSSYSA-N	0	0	317.371	0.107	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ncc(C)cc1[N+](=O)[O-]	ZINC000596432736	396775035	/nfs/dbraw/zinc/77/50/35/396775035.db2.gz	FERKHTVSCOCDLZ-WPRPVWTQSA-N	0	0	301.324	0.522	10	5		DCBERN
C[C@H]1CN(c2ccncc2[N+](=O)[O-])CCN1S(C)(=O)=O	ZINC000611445089	396867066	/nfs/dbraw/zinc/86/70/66/396867066.db2.gz	DJYUKACWHLTYAI-VIFPVBQESA-N	0	0	300.340	0.460	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cn(C)nn1	ZINC000611952230	396956963	/nfs/dbraw/zinc/95/69/63/396956963.db2.gz	QYYYEAJKJVDPRY-UHFFFAOYSA-N	0	0	318.293	0.287	10	5		DCBERN
Cc1cc(OCC(=O)NCc2cn(C)nn2)ccc1[N+](=O)[O-]	ZINC000619530552	397146094	/nfs/dbraw/zinc/14/60/94/397146094.db2.gz	JBXYCVZLMQNFEH-UHFFFAOYSA-N	0	0	305.294	0.727	10	5		DCBERN
CCN1CC[C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C1=O	ZINC000619801774	397195176	/nfs/dbraw/zinc/19/51/76/397195176.db2.gz	ODFUVPBVVMFBGM-SNVBAGLBSA-N	0	0	307.306	0.954	10	5		DCBERN
COC[C@](C)(CO)NC(=O)CCn1cc([N+](=O)[O-])nc1C	ZINC000613534389	397274951	/nfs/dbraw/zinc/27/49/51/397274951.db2.gz	MKEYDOKEHCVQQK-LBPRGKRZSA-N	0	0	300.315	0.003	10	5		DCBERN
CC(C)(C(=O)N1CCN(C2CC2)C(=O)C1)n1cc([N+](=O)[O-])cn1	ZINC000610499482	397826649	/nfs/dbraw/zinc/82/66/49/397826649.db2.gz	CZENHYIHXXOTIV-UHFFFAOYSA-N	0	0	321.337	0.360	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC(=O)N1CCOCC1	ZINC000124320557	158240667	/nfs/dbraw/zinc/24/06/67/158240667.db2.gz	CBECTPAHIHLNNL-UHFFFAOYSA-N	0	0	321.333	0.834	10	5		DCBERN
CN1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCC1=O	ZINC000131045840	158298841	/nfs/dbraw/zinc/29/88/41/158298841.db2.gz	OZNMMHYGMIXUAF-JTQLQIEISA-N	0	0	306.322	0.744	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)CO	ZINC000135525600	158337978	/nfs/dbraw/zinc/33/79/78/158337978.db2.gz	IUEJAJVEVIUMPH-QMMMGPOBSA-N	0	0	304.324	0.605	10	5		DCBERN
Cc1nc(N2CC[C@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-]	ZINC000150857167	158347876	/nfs/dbraw/zinc/34/78/76/158347876.db2.gz	VPMXWEQAYAREAB-VIFPVBQESA-N	0	0	300.340	0.426	10	5		DCBERN
O=C(N1CCCC1)[C@]1(O)CCCN(c2ccc([N+](=O)[O-])cn2)C1	ZINC000408035646	160018953	/nfs/dbraw/zinc/01/89/53/160018953.db2.gz	MFAZANULYZPARB-HNNXBMFYSA-N	0	0	320.349	0.944	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000408249191	160069487	/nfs/dbraw/zinc/06/94/87/160069487.db2.gz	ZBDWZEHCBYRWSK-CQSZACIVSA-N	0	0	321.337	0.228	10	5		DCBERN
CC(C)(C(=O)N1CCC[C@H]2C(=O)NC[C@H]21)n1cc([N+](=O)[O-])cn1	ZINC000408259804	160071474	/nfs/dbraw/zinc/07/14/74/160071474.db2.gz	ACZAXDLWYDESJP-GHMZBOCLSA-N	0	0	321.337	0.263	10	5		DCBERN
Cc1ccc(C)c(S(=O)(=O)N2CC(=O)N(C)C2)c1[N+](=O)[O-]	ZINC000408335352	160087624	/nfs/dbraw/zinc/08/76/24/160087624.db2.gz	GUPGZISSKWWBOR-UHFFFAOYSA-N	0	0	313.335	0.632	10	5		DCBERN
COc1ccc([N+](=O)[O-])c(C(=O)N2CCN3CCOC[C@H]3C2)c1	ZINC000375888928	287228606	/nfs/dbraw/zinc/22/86/06/287228606.db2.gz	GNLZQMWTFBUZKN-LLVKDONJSA-N	0	0	321.333	0.760	10	5		DCBERN
Nn1c2nc3ccccc3c(=O)n2nc(-c2ccccc2)c1=O	ZINC000000162447	415126230	/nfs/dbraw/zinc/12/62/30/415126230.db2.gz	WLIAVOZUORCGAX-UHFFFAOYSA-N	0	0	305.297	0.785	10	5		DCBERN
CN(C)c1ncccc1CNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000043056785	415216572	/nfs/dbraw/zinc/21/65/72/415216572.db2.gz	KDVWEODFDWWYGE-UHFFFAOYSA-N	0	0	304.310	0.569	10	5		DCBERN
COc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1[N+](=O)[O-]	ZINC000112653902	415712183	/nfs/dbraw/zinc/71/21/83/415712183.db2.gz	SPFKWSHFBUPDFB-JTQLQIEISA-N	0	0	317.305	0.940	10	5		DCBERN
Cc1nn(C)c(C(=O)N2CCN(C(=O)C(C)C)CC2)c1[N+](=O)[O-]	ZINC000299026253	416046016	/nfs/dbraw/zinc/04/60/16/416046016.db2.gz	JMSQSVANSAIGDO-UHFFFAOYSA-N	0	0	323.353	0.577	10	5		DCBERN
C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc([N+](=O)[O-])c1N	ZINC000178169834	416157596	/nfs/dbraw/zinc/15/75/96/416157596.db2.gz	LEPKOAUQBANSFI-DTWKUNHWSA-N	0	0	306.322	0.903	10	5		DCBERN
CCCc1n[nH]c(C(=O)N2CC(C(=O)NCC)C2)c1[N+](=O)[O-]	ZINC000176424831	416125453	/nfs/dbraw/zinc/12/54/53/416125453.db2.gz	CUJSTVIHOGOARZ-UHFFFAOYSA-N	0	0	309.326	0.479	10	5		DCBERN
Cc1nn(C)c(C)c1NC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000357831010	416137959	/nfs/dbraw/zinc/13/79/59/416137959.db2.gz	MMFLWDKOAINZNS-UHFFFAOYSA-N	0	0	307.314	0.963	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1Cc2ccccc2[C@@H]1O	ZINC000178686463	416169108	/nfs/dbraw/zinc/16/91/08/416169108.db2.gz	GCPJTDRLOVYGLQ-OCCSQVGLSA-N	0	0	302.290	0.566	10	5		DCBERN
C[NH+](C)C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CCO1	ZINC000183555084	416245629	/nfs/dbraw/zinc/24/56/29/416245629.db2.gz	AVJUVWWYLZHVSD-JTQLQIEISA-N	0	0	309.326	0.784	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCN(S(C)(=O)=O)CC1	ZINC000183244766	416237895	/nfs/dbraw/zinc/23/78/95/416237895.db2.gz	GNAVNZLVPWNHDL-UHFFFAOYSA-N	0	0	313.379	0.980	10	5		DCBERN
C[C@@H](CN1CCOCC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000193971178	416320912	/nfs/dbraw/zinc/32/09/12/416320912.db2.gz	WHSUOGOWFTZHMH-VIFPVBQESA-N	0	0	309.326	0.221	10	5		DCBERN
C[C@H]1CN(CCNc2ccc3ncc([N+](=O)[O-])n3n2)CCO1	ZINC000534311102	416499372	/nfs/dbraw/zinc/49/93/72/416499372.db2.gz	QMUPPJITMHWKKA-JTQLQIEISA-N	0	0	306.326	0.770	10	5		DCBERN
CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@]2(CCOC2)O1	ZINC000408081971	417139588	/nfs/dbraw/zinc/13/95/88/417139588.db2.gz	UZHZBTSJHXTJDP-TVQRCGJNSA-N	0	0	310.310	0.728	10	5		DCBERN
CCNC(=O)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1	ZINC000531864126	417644991	/nfs/dbraw/zinc/64/49/91/417644991.db2.gz	HOCQQFAWRDADKE-VIFPVBQESA-N	0	0	309.326	0.467	10	5		DCBERN
O=[N+]([O-])c1cccc([C@H](O)CN2CCN3CCOC[C@H]3C2)c1	ZINC000363796742	262131465	/nfs/dbraw/zinc/13/14/65/262131465.db2.gz	CWGIARLXFPUSPA-HUUCEWRRSA-N	0	0	307.350	0.645	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc2cc[nH]c2n1	ZINC000358381817	271050717	/nfs/dbraw/zinc/05/07/17/271050717.db2.gz	HXRONPWCDXNHCI-UHFFFAOYSA-N	0	0	300.278	0.984	10	5		DCBERN
COC(=O)c1c(OC)c2nc(C)[nH]c(=O)c2c(OC)c1[N+](=O)[O-]	ZINC000038482729	277148512	/nfs/dbraw/zinc/14/85/12/277148512.db2.gz	CXNJFCURRVNNIG-UHFFFAOYSA-N	0	0	323.261	0.944	10	5		DCBERN
CC1(C)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@]2(CCOC2)O1	ZINC000559050602	288464894	/nfs/dbraw/zinc/46/48/94/288464894.db2.gz	VHPWFRUXCFWCCW-CYBMUJFWSA-N	0	0	310.310	0.728	10	5		DCBERN
CN(CC1(CO)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000188966844	522597881	/nfs/dbraw/zinc/59/78/81/522597881.db2.gz	MYJDMDJDYHCTCA-UHFFFAOYSA-N	0	0	300.336	0.988	10	5		DCBERN
NC(=O)[C@]1(O)CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000312759687	659478112	/nfs/dbraw/zinc/47/81/12/659478112.db2.gz	KLHZVJBFMDIOAH-NSHDSACASA-N	0	0	303.677	0.814	10	5		DCBERN
Cc1nc2c(nccc2C(=O)NCCn2cc([N+](=O)[O-])cn2)[nH]1	ZINC000436191391	663431193	/nfs/dbraw/zinc/43/11/93/663431193.db2.gz	XQGLAHCHKQZYTL-UHFFFAOYSA-N	0	0	315.293	0.801	10	5		DCBERN
O=[N+]([O-])c1cnc(N2CCOC[C@H]2CO)c(Br)c1	ZINC000168726250	664530796	/nfs/dbraw/zinc/53/07/96/664530796.db2.gz	KJJRCFPXZVYTFK-MRVPVSSYSA-N	0	0	318.127	0.950	10	5		DCBERN
CS(=O)(=O)N[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1	ZINC000172021699	664615019	/nfs/dbraw/zinc/61/50/19/664615019.db2.gz	ULJVHTNJEXXCBX-LLVKDONJSA-N	0	0	317.342	0.857	10	5		DCBERN
Cc1noc([C@@H](C)N2CCN(Cn3nccc3[N+](=O)[O-])CC2)n1	ZINC000152645723	664767504	/nfs/dbraw/zinc/76/75/04/664767504.db2.gz	USRHJRHVQWSEFI-SNVBAGLBSA-N	0	0	321.341	0.819	10	5		DCBERN
CC[S@@](=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000733898820	666824649	/nfs/dbraw/zinc/82/46/49/666824649.db2.gz	TWOJGVPQFQXXAI-LJQANCHMSA-N	0	0	320.392	0.950	10	5		DCBERN
O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cscn1	ZINC000130254980	669600140	/nfs/dbraw/zinc/60/01/40/669600140.db2.gz	KEZCZBYXNDPWKC-JQWIXIFHSA-N	0	0	323.330	0.876	10	5		DCBERN
COC(=O)C1(O)CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000714438588	670185274	/nfs/dbraw/zinc/18/52/74/670185274.db2.gz	FWDAVKLTCAGBPX-UHFFFAOYSA-N	0	0	300.698	0.968	10	5		DCBERN
O=C(NC1COC1)c1cc([N+](=O)[O-])ncc1Br	ZINC000304177363	685209142	/nfs/dbraw/zinc/20/91/42/685209142.db2.gz	OBVNWDIPTFVAKN-UHFFFAOYSA-N	0	0	302.084	0.881	10	5		DCBERN
Cc1cc(C(=O)NCCn2cnccc2=O)ccc1[N+](=O)[O-]	ZINC000585238027	1158110794	/nfs/dbraw/zinc/11/07/94/1158110794.db2.gz	FLBKMUHSVXMGOM-UHFFFAOYSA-N	0	0	302.290	0.890	10	5		DCBERN
Nc1c(Cl)cc(C(=O)NC[C@H]2COCCO2)cc1[N+](=O)[O-]	ZINC000050705735	1171736568	/nfs/dbraw/zinc/73/65/68/1171736568.db2.gz	VYDWCEONUNDPEA-QMMMGPOBSA-N	0	0	315.713	0.976	10	5		DCBERN
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C[C@H](O)[C@H](CO)C1	ZINC000317595900	775103884	/nfs/dbraw/zinc/10/38/84/775103884.db2.gz	DNYMJZMJWWFZCY-KWQFWETISA-N	0	0	300.698	0.673	10	5		DCBERN
COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000108258343	185505468	/nfs/dbraw/zinc/50/54/68/185505468.db2.gz	VSUSJLLSGUQXGI-VIFPVBQESA-N	0	0	314.319	0.778	10	5		DCBERN
C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCN1CCO	ZINC000187302934	200091444	/nfs/dbraw/zinc/09/14/44/200091444.db2.gz	LVKMAJOBRCDMEZ-SNVBAGLBSA-N	0	0	308.338	0.316	10	5		DCBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)N(C)Cc2cnn(C)c2)c1=O	ZINC000155836311	291222803	/nfs/dbraw/zinc/22/28/03/291222803.db2.gz	LCBYMZYKXWUYML-UHFFFAOYSA-N	0	0	319.321	0.457	10	5		DCBERN
Cc1n[nH]c(C(=O)N2CC[C@](O)(C(F)(F)F)C2)c1[N+](=O)[O-]	ZINC000266056397	205061944	/nfs/dbraw/zinc/06/19/44/205061944.db2.gz	ZGSAKCXRYIKWFP-SECBINFHSA-N	0	0	308.216	0.766	10	5		DCBERN
CCN(CC)c1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-]	ZINC000040608221	183109158	/nfs/dbraw/zinc/10/91/58/183109158.db2.gz	LSHUSNXPHHEONV-UHFFFAOYSA-N	0	0	324.385	0.975	10	5		DCBERN
O=[N+]([O-])c1ccc2[nH]c(N3CCN4CCOC[C@H]4C3)nc2c1	ZINC000408454207	285149155	/nfs/dbraw/zinc/14/91/55/285149155.db2.gz	UOUCHVXXYIOTOA-LLVKDONJSA-N	0	0	303.322	0.992	10	5		DCBERN
Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)S(N)(=O)=O)c1	ZINC000350629694	254321200	/nfs/dbraw/zinc/32/12/00/254321200.db2.gz	QVWFMFHMAQZZLR-QMMMGPOBSA-N	0	0	301.324	0.310	10	5		DCBERN
COC(=O)[C@]12CCC[C@@H]1CN(c1ncc([N+](=O)[O-])c(N)n1)C2	ZINC000302165700	533638582	/nfs/dbraw/zinc/63/85/82/533638582.db2.gz	KTSRTKVRJVPGLP-OQPBUACISA-N	0	0	307.310	0.747	10	5		DCBERN
CCCN1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1=O	ZINC000276274489	130466700	/nfs/dbraw/zinc/46/67/00/130466700.db2.gz	VOWUPPKYYJJSTC-UHFFFAOYSA-N	0	0	321.337	0.537	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)n1	ZINC000270942349	395824621	/nfs/dbraw/zinc/82/46/21/395824621.db2.gz	MYFHJECOSJLFAE-DTWKUNHWSA-N	0	0	307.310	0.212	10	5		DCBERN
C[C@@H](NC(=O)c1ccco1)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000122661708	395888080	/nfs/dbraw/zinc/88/80/80/395888080.db2.gz	JQGYTBOVZBRWGY-SECBINFHSA-N	0	0	321.293	0.319	10	5		DCBERN
CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000248006086	395981691	/nfs/dbraw/zinc/98/16/91/395981691.db2.gz	OKXULYMIKLCUPQ-LLVKDONJSA-N	0	0	306.322	0.870	10	5		DCBERN
Cc1cc(C(=O)NC[C@@H](C)N2CCOCC2)c(N)c([N+](=O)[O-])c1	ZINC000068513916	396057896	/nfs/dbraw/zinc/05/78/96/396057896.db2.gz	PHTRCINSDFPUMH-LLVKDONJSA-N	0	0	322.365	0.936	10	5		DCBERN
COc1n[nH]c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])n1	ZINC000182999492	396258321	/nfs/dbraw/zinc/25/83/21/396258321.db2.gz	CUHQVKHCCJBCKK-UHFFFAOYSA-N	0	0	306.282	0.796	10	5		DCBERN
COCC(=O)NC1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000185087199	396316892	/nfs/dbraw/zinc/31/68/92/396316892.db2.gz	UXRTWUFHCLKUGH-ZDUSSCGKSA-N	0	0	309.322	0.075	10	5		DCBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1Cc2ccccc2[C@@H]1O	ZINC000185518141	396329456	/nfs/dbraw/zinc/32/94/56/396329456.db2.gz	ZVDFMFSIMABLNB-STQMWFEESA-N	0	0	314.301	0.960	10	5		DCBERN
Cc1c(F)cc(S(=O)(=O)N2CC(CO)C2)cc1[N+](=O)[O-]	ZINC000185760104	396334685	/nfs/dbraw/zinc/33/46/85/396334685.db2.gz	IKIPDRCJDAGGQH-UHFFFAOYSA-N	0	0	304.299	0.655	10	5		DCBERN
C[C@@H]1C(=O)NCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000191761440	396424371	/nfs/dbraw/zinc/42/43/71/396424371.db2.gz	YVEGCKUZUJPWTI-SNVBAGLBSA-N	0	0	307.306	0.711	10	5		DCBERN
CS(=O)(=O)NCC1CCN(c2cccnc2[N+](=O)[O-])CC1	ZINC000588067332	396676941	/nfs/dbraw/zinc/67/69/41/396676941.db2.gz	IDDCGMQSJZLYLM-UHFFFAOYSA-N	0	0	314.367	0.755	10	5		DCBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](S(N)(=O)=O)C2)n1	ZINC000611615988	396895639	/nfs/dbraw/zinc/89/56/39/396895639.db2.gz	RSGABSQGWIAKCN-SNVBAGLBSA-N	0	0	314.367	0.864	10	5		DCBERN
CCN1CC[C@H](NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1=O	ZINC000619825498	397197320	/nfs/dbraw/zinc/19/73/20/397197320.db2.gz	PMDLSMVNZDSRCQ-NSHDSACASA-N	0	0	306.322	0.987	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2O)cc1	ZINC000599493339	397457567	/nfs/dbraw/zinc/45/75/67/397457567.db2.gz	NMCSZFKLGPLIJE-QWRGUYRKSA-N	0	0	302.308	0.023	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cnn(-c2ccccn2)c1	ZINC000610052848	397801026	/nfs/dbraw/zinc/80/10/26/397801026.db2.gz	SYDUDVIJDGJAPZ-UHFFFAOYSA-N	0	0	314.265	0.406	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CCS(=O)(=O)C1	ZINC000122525903	158222219	/nfs/dbraw/zinc/22/22/19/158222219.db2.gz	TYKCNLVNPJLFSG-LBPRGKRZSA-N	0	0	313.335	0.605	10	5		DCBERN
Cc1ccc2c(n1)OCCN2C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000180454970	158478779	/nfs/dbraw/zinc/47/87/79/158478779.db2.gz	GPNMXXXMYYHFET-UHFFFAOYSA-N	0	0	303.278	0.920	10	5		DCBERN
CNS(=O)(=O)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1	ZINC000408351211	160090600	/nfs/dbraw/zinc/09/06/00/160090600.db2.gz	CLNIHZQGSQDBFV-UHFFFAOYSA-N	0	0	320.396	0.238	10	5		DCBERN
Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(CNC(=O)C2)C1	ZINC000408456021	160111893	/nfs/dbraw/zinc/11/18/93/160111893.db2.gz	ZLYCQKOQEVQUGI-CQSZACIVSA-N	0	0	304.306	0.529	10	5		DCBERN
NC(=O)[C@H]1COCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1	ZINC000255563157	287125622	/nfs/dbraw/zinc/12/56/22/287125622.db2.gz	CFSPDSYXWKHYDK-GCLPIYDQSA-N	0	0	305.290	0.321	10	5		DCBERN
CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@]2(CCOC2)O1	ZINC000408326015	287171944	/nfs/dbraw/zinc/17/19/44/287171944.db2.gz	HUWGCFFVVGJXND-YGRLFVJLSA-N	0	0	324.337	0.738	10	5		DCBERN
CC(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(N)=O	ZINC000107311449	415663854	/nfs/dbraw/zinc/66/38/54/415663854.db2.gz	RPNJXLSTPLFSJT-QMMMGPOBSA-N	0	0	307.353	0.445	10	5		DCBERN
O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1	ZINC000174857570	416088089	/nfs/dbraw/zinc/08/80/89/416088089.db2.gz	OPMLSTPPLCSGEO-CQSZACIVSA-N	0	0	323.397	0.978	10	5		DCBERN
Cc1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)c(=O)n1C	ZINC000362666087	416569195	/nfs/dbraw/zinc/56/91/95/416569195.db2.gz	FHEVSJMTWOQGQL-UHFFFAOYSA-N	0	0	314.305	1.257	10	5		DCBERN
O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC(n2ccnn2)C1	ZINC000369271280	416742300	/nfs/dbraw/zinc/74/23/00/416742300.db2.gz	PSZNLSXOHIFARL-UHFFFAOYSA-N	0	0	321.268	0.788	10	5		DCBERN
CCOC(=O)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443761217	416776720	/nfs/dbraw/zinc/77/67/20/416776720.db2.gz	RQZVGYMCXPRWPQ-UHFFFAOYSA-N	0	0	316.335	0.967	10	5		DCBERN
CC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000450573579	417240001	/nfs/dbraw/zinc/24/00/01/417240001.db2.gz	XNNHDDDWYFNFGJ-SMDDNHRTSA-N	0	0	308.338	0.816	10	5		DCBERN
CCN(C)C(=O)[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)C(C)C	ZINC000450678731	417257498	/nfs/dbraw/zinc/25/74/98/417257498.db2.gz	UEFJRQDZBWRPBV-ZDUSSCGKSA-N	0	0	320.353	1.552	10	5		DCBERN
CN(C(C)(C)C(N)=O)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000451629786	417368193	/nfs/dbraw/zinc/36/81/93/417368193.db2.gz	RMZXBPXBWGRNBH-UHFFFAOYSA-N	0	0	315.351	0.620	10	5		DCBERN
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC1(CCO)CC1	ZINC000302416112	230238328	/nfs/dbraw/zinc/23/83/28/230238328.db2.gz	HYEWETGORFWGAN-UHFFFAOYSA-N	0	0	315.351	0.817	10	5		DCBERN
CNc1c(C(=O)N2CC[C@H](NC(N)=O)C2)cccc1[N+](=O)[O-]	ZINC000360951157	271170260	/nfs/dbraw/zinc/17/02/60/271170260.db2.gz	KXJHLRWXTFWRTB-QMMMGPOBSA-N	0	0	307.310	0.519	10	5		DCBERN
O=C(CCn1cc([N+](=O)[O-])cn1)N1CCO[C@H](C(=O)C2CC2)C1	ZINC000548718262	288170183	/nfs/dbraw/zinc/17/01/83/288170183.db2.gz	NDHQMGRQNPUMEV-LBPRGKRZSA-N	0	0	322.321	0.388	10	5		DCBERN
NC(=O)[C@@]1(O)CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1	ZINC000284517084	295140434	/nfs/dbraw/zinc/14/04/34/295140434.db2.gz	FDOSFXYJQOOQEH-LLVKDONJSA-N	0	0	300.702	0.460	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](O)CN1CCOCC1	ZINC000128097869	525561794	/nfs/dbraw/zinc/56/17/94/525561794.db2.gz	XFUBOKKSHKYOKP-ZDUSSCGKSA-N	0	0	323.349	0.326	10	5		DCBERN
O=C(CCn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(CCOC2)C1	ZINC000187146523	526670896	/nfs/dbraw/zinc/67/08/96/526670896.db2.gz	FSYJMLMPVCXFTM-CYBMUJFWSA-N	0	0	310.310	0.199	10	5		DCBERN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](Cn2cncn2)C1	ZINC000162509612	526913721	/nfs/dbraw/zinc/91/37/21/526913721.db2.gz	FVXIAEVOMYHNQT-SECBINFHSA-N	0	0	305.298	0.462	10	5		DCBERN
Cn1cccc1C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000130084660	527390017	/nfs/dbraw/zinc/39/00/17/527390017.db2.gz	AJPUKDANOWRCOD-OCCSQVGLSA-N	0	0	319.317	0.758	10	5		DCBERN
Cn1nccc1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000129620471	527611449	/nfs/dbraw/zinc/61/14/49/527611449.db2.gz	LPHSKVHTSLZAGZ-UHFFFAOYSA-N	0	0	324.362	0.990	10	5		DCBERN
COc1ccccc1[C@H](O)CNC(=O)c1[nH]ncc1[N+](=O)[O-]	ZINC000135875515	658779756	/nfs/dbraw/zinc/77/97/56/658779756.db2.gz	MBQCQXGYSAHCAM-SNVBAGLBSA-N	0	0	306.278	0.790	10	5		DCBERN
COC(=O)c1cc(C)ccc1OC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000729107189	662634610	/nfs/dbraw/zinc/63/46/10/662634610.db2.gz	SIFIYUBZNVQNGP-UHFFFAOYSA-N	0	0	320.261	0.887	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](C(=O)N(C)C)C(C)C	ZINC000729709832	662907696	/nfs/dbraw/zinc/90/76/96/662907696.db2.gz	XIZYZXQLPSJNCD-GFCCVEGCSA-N	0	0	312.326	0.756	10	5		DCBERN
Cc1noc([C@H](C)N2CCN(Cn3nccc3[N+](=O)[O-])CC2)n1	ZINC000152645815	664767505	/nfs/dbraw/zinc/76/75/05/664767505.db2.gz	USRHJRHVQWSEFI-JTQLQIEISA-N	0	0	321.341	0.819	10	5		DCBERN
CC[S@](=O)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000733880862	666823743	/nfs/dbraw/zinc/82/37/43/666823743.db2.gz	WIXAAGSLUXPPAE-NRFANRHFSA-N	0	0	310.335	0.970	10	5		DCBERN
CN(C)c1cccc(COC(=O)Cn2cnc([N+](=O)[O-])n2)c1	ZINC000741952525	667778467	/nfs/dbraw/zinc/77/84/67/667778467.db2.gz	MEEQMTDUEGHCIL-UHFFFAOYSA-N	0	0	305.294	0.996	10	5		DCBERN
CCN1C[C@@H](COC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1=O	ZINC000123806910	667854341	/nfs/dbraw/zinc/85/43/41/667854341.db2.gz	MRCMUDMTGJINTC-NSHDSACASA-N	0	0	324.337	0.901	10	5		DCBERN
O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc[nH]1	ZINC000130077836	669583660	/nfs/dbraw/zinc/58/36/60/669583660.db2.gz	RKKGWUGKDJIBQM-OLZOCXBDSA-N	0	0	305.290	0.747	10	5		DCBERN
O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@H](CO)[C@H](O)C1	ZINC000317495331	775086402	/nfs/dbraw/zinc/08/64/02/775086402.db2.gz	SELQAILUROUSDI-LDYMZIIASA-N	0	0	300.698	0.673	10	5		DCBERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000176282808	282100125	/nfs/dbraw/zinc/10/01/25/282100125.db2.gz	OLGFKKBTODJBFG-JTQLQIEISA-N	0	0	318.293	0.860	10	5		DCBERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000187172958	282100487	/nfs/dbraw/zinc/10/04/87/282100487.db2.gz	MCIHYSZFUVSEAE-VIFPVBQESA-N	0	0	318.293	0.860	10	5		DCBERN
C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1N1CCOCC1	ZINC000408052983	290756931	/nfs/dbraw/zinc/75/69/31/290756931.db2.gz	NDNIJCPPQDBXPU-CMPLNLGQSA-N	0	0	323.353	0.121	10	5		DCBERN
O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000182133742	199391285	/nfs/dbraw/zinc/39/12/85/199391285.db2.gz	VHVOLRZMUIKGRP-LBPRGKRZSA-N	0	0	323.349	0.877	10	5		DCBERN
O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000174692457	198371192	/nfs/dbraw/zinc/37/11/92/198371192.db2.gz	ZTWOSZPZXFQFRL-UTUOFQBUSA-N	0	0	320.305	0.103	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(CCO)[C@@H](C)C1	ZINC000188687613	200287605	/nfs/dbraw/zinc/28/76/05/200287605.db2.gz	IZUZITAMRSWBCS-JTQLQIEISA-N	0	0	308.338	0.437	10	5		DCBERN
Cc1c(CC(=O)N2CCN(CCO)[C@H](C)C2)cccc1[N+](=O)[O-]	ZINC000188740407	200298103	/nfs/dbraw/zinc/29/81/03/200298103.db2.gz	ZSDWBESTRLULHW-GFCCVEGCSA-N	0	0	321.377	0.971	10	5		DCBERN
O=C(NC1(CO)CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000160402403	291238683	/nfs/dbraw/zinc/23/86/83/291238683.db2.gz	YWKRITJMYDNIHA-UHFFFAOYSA-N	0	0	303.278	0.430	10	5		DCBERN
C[C@H]1C[C@H](O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000401595954	239253865	/nfs/dbraw/zinc/25/38/65/239253865.db2.gz	VPIPGDHLLUKWHK-ONGXEEELSA-N	0	0	300.336	0.986	10	5		DCBERN
NS(=O)(=O)c1cc(NC[C@@H]2CCC[C@H]2O)cc([N+](=O)[O-])c1	ZINC000266185410	205167687	/nfs/dbraw/zinc/16/76/87/205167687.db2.gz	AMMPIPMGMALAAI-QPUJVOFHSA-N	0	0	315.351	0.815	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](O)C1	ZINC000061706900	184184436	/nfs/dbraw/zinc/18/44/36/184184436.db2.gz	HEXSNYHBVYDXMD-SECBINFHSA-N	0	0	302.308	0.359	10	5		DCBERN
O=C(N[C@@H]1CCC(=O)NC1=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000089753397	395714227	/nfs/dbraw/zinc/71/42/27/395714227.db2.gz	ARTIGLJIZSLDJO-SECBINFHSA-N	0	0	311.681	0.783	10	5		DCBERN
CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000116831531	395847153	/nfs/dbraw/zinc/84/71/53/395847153.db2.gz	PTTRUXRFZDTQGH-JTQLQIEISA-N	0	0	313.335	0.359	10	5		DCBERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])CC2	ZINC000153963161	396028047	/nfs/dbraw/zinc/02/80/47/396028047.db2.gz	MUTKWVDZWRKVLZ-MRVPVSSYSA-N	0	0	319.325	0.778	10	5		DCBERN
C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000183184722	396264975	/nfs/dbraw/zinc/26/49/75/396264975.db2.gz	GZGYULAIGHIMNT-ZWBDZOEQSA-N	0	0	312.394	0.702	10	5		DCBERN
O=C(N[C@]1(CO)CCOC1)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000185268746	396323799	/nfs/dbraw/zinc/32/37/99/396323799.db2.gz	FWJMHBLOTHBKLR-AWEZNQCLSA-N	0	0	305.290	0.957	10	5		DCBERN
Cc1cc(N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)n[nH]1	ZINC000189767592	396399005	/nfs/dbraw/zinc/39/90/05/396399005.db2.gz	JGTJDAROQIKSAQ-UHFFFAOYSA-N	0	0	319.325	0.172	10	5		DCBERN
COc1ccc(C(=O)N2CCCNC(=O)[C@H]2C)cc1[N+](=O)[O-]	ZINC000191764167	396424429	/nfs/dbraw/zinc/42/44/29/396424429.db2.gz	HBSGCARKZPMENG-SECBINFHSA-N	0	0	307.306	0.954	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl	ZINC000596437343	396777570	/nfs/dbraw/zinc/77/75/70/396777570.db2.gz	VZJJRNZWMIYDMO-BDAKNGLRSA-N	0	0	321.742	0.867	10	5		DCBERN
CCc1nn(C)c(N(C)C[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000611281294	396849674	/nfs/dbraw/zinc/84/96/74/396849674.db2.gz	DZXQRGDATDJOGE-VIFPVBQESA-N	0	0	316.383	0.762	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)NCCc1ccc(CO)cc1	ZINC000611428429	396867096	/nfs/dbraw/zinc/86/70/96/396867096.db2.gz	KEHMLVHBJMRODW-UHFFFAOYSA-N	0	0	305.294	0.038	10	5		DCBERN
CNC(=O)C1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1	ZINC000611598033	396894261	/nfs/dbraw/zinc/89/42/61/396894261.db2.gz	GWVWFGRZSOJQGQ-UHFFFAOYSA-N	0	0	307.310	0.402	10	5		DCBERN
CC(=O)NC[C@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CCO1	ZINC000611616436	396895781	/nfs/dbraw/zinc/89/57/81/396895781.db2.gz	OOICHYLZYPGFRD-LBPRGKRZSA-N	0	0	308.338	0.948	10	5		DCBERN
Cn1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)nn1	ZINC000611934915	396951355	/nfs/dbraw/zinc/95/13/55/396951355.db2.gz	IKXMVHBIKZWMDW-UHFFFAOYSA-N	0	0	315.286	0.341	10	5		DCBERN
Cn1cc(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)nn1	ZINC000611938536	396952865	/nfs/dbraw/zinc/95/28/65/396952865.db2.gz	FJYPFSODMXRSGP-UHFFFAOYSA-N	0	0	320.309	0.602	10	5		DCBERN
COc1cc(OCC(=O)NCc2cn(C)nn2)ccc1[N+](=O)[O-]	ZINC000611946415	396955742	/nfs/dbraw/zinc/95/57/42/396955742.db2.gz	XLWBENOCYFTBHR-UHFFFAOYSA-N	0	0	321.293	0.427	10	5		DCBERN
COC[C@](C)(CO)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1	ZINC000619544253	397147283	/nfs/dbraw/zinc/14/72/83/397147283.db2.gz	BSIMFODZYVCCJM-AWEZNQCLSA-N	0	0	312.322	0.796	10	5		DCBERN
COC(=O)c1cnc(N2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000364583350	397224126	/nfs/dbraw/zinc/22/41/26/397224126.db2.gz	RYAHJOYAIYYMCQ-NSHDSACASA-N	0	0	322.321	0.297	10	5		DCBERN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCOC[C@H]2O)c1	ZINC000599493131	397457953	/nfs/dbraw/zinc/45/79/53/397457953.db2.gz	KBQKXPBZBUNAKU-WDEREUQCSA-N	0	0	302.308	0.023	10	5		DCBERN
CC(C)OC(=O)[C@@H]1CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000609839424	397794648	/nfs/dbraw/zinc/79/46/48/397794648.db2.gz	ABYYZBAVRSVFQT-VIFPVBQESA-N	0	0	311.298	0.129	10	5		DCBERN
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000063843708	158033378	/nfs/dbraw/zinc/03/33/78/158033378.db2.gz	HHHKHEAIUJEWDW-NXEZZACHSA-N	0	0	309.326	0.294	10	5		DCBERN
CN(CC(=O)NC(C)(C)C)C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000065771912	158034228	/nfs/dbraw/zinc/03/42/28/158034228.db2.gz	UGLZURYPBPJMET-UHFFFAOYSA-N	0	0	311.342	0.555	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CCO	ZINC000123632266	158232957	/nfs/dbraw/zinc/23/29/57/158232957.db2.gz	MNUKDSYUUSAUAY-MRVPVSSYSA-N	0	0	304.324	0.653	10	5		DCBERN
CC[C@@H](CO)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1	ZINC000131544076	158303331	/nfs/dbraw/zinc/30/33/31/158303331.db2.gz	WRDPVFUNTHTLRF-NSHDSACASA-N	0	0	322.365	0.706	10	5		DCBERN
CN1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1=O	ZINC000188168807	158543187	/nfs/dbraw/zinc/54/31/87/158543187.db2.gz	FPBASGCLQPPBAT-UHFFFAOYSA-N	0	0	322.277	0.807	10	5		DCBERN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000408031032	160016866	/nfs/dbraw/zinc/01/68/66/160016866.db2.gz	PPRATJZLKAEYFB-JTQLQIEISA-N	0	0	321.337	0.793	10	5		DCBERN
O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCNC(=O)CC1	ZINC000105177177	415633175	/nfs/dbraw/zinc/63/31/75/415633175.db2.gz	LPTPERZNNASXGO-UHFFFAOYSA-N	0	0	306.322	0.669	10	5		DCBERN
Nc1c(C(=O)N[C@@H]2CCc3ncnn3C2)cc(F)cc1[N+](=O)[O-]	ZINC000112655040	415710546	/nfs/dbraw/zinc/71/05/46/415710546.db2.gz	WDKAZGYSEGXDKC-MRVPVSSYSA-N	0	0	320.284	0.652	10	5		DCBERN
O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2ncnn2C1	ZINC000112660405	415712398	/nfs/dbraw/zinc/71/23/98/415712398.db2.gz	JAQSCXOWASJBMN-JTQLQIEISA-N	0	0	317.305	0.696	10	5		DCBERN
COc1ccc([N+](=O)[O-])c(N2CC[C@@H](NS(C)(=O)=O)C2)c1	ZINC000292928675	415851873	/nfs/dbraw/zinc/85/18/73/415851873.db2.gz	AHFFXHVKQSEQKZ-SECBINFHSA-N	0	0	315.351	0.731	10	5		DCBERN
Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cn(C)c(=O)n(C)c2=O)c1	ZINC000173082795	416052524	/nfs/dbraw/zinc/05/25/24/416052524.db2.gz	RJMRHEHMMNCCDG-UHFFFAOYSA-N	0	0	318.289	0.553	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](O)C(C)C	ZINC000158862919	416002871	/nfs/dbraw/zinc/00/28/71/416002871.db2.gz	IRPRNKZFBZZQBY-SNVBAGLBSA-N	0	0	318.351	0.899	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCc2c1cccc2O	ZINC000357768300	416131281	/nfs/dbraw/zinc/13/12/81/416131281.db2.gz	WHPHSQMLZDWLBZ-JTQLQIEISA-N	0	0	303.278	0.696	10	5		DCBERN
C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCN1CCO	ZINC000187291777	416261000	/nfs/dbraw/zinc/26/10/00/416261000.db2.gz	AMPLWDMGMAMBJV-GFCCVEGCSA-N	0	0	323.349	0.499	10	5		DCBERN
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@H]2CCCC[C@@H]21	ZINC000263643372	416338388	/nfs/dbraw/zinc/33/83/88/416338388.db2.gz	DFIYADZRVDBCDT-AAEUAGOBSA-N	0	0	321.333	0.927	10	5		DCBERN
CNC(=O)c1ccc(N2CCN(C3CC3)C(=O)C2)c([N+](=O)[O-])c1	ZINC000610489322	416657724	/nfs/dbraw/zinc/65/77/24/416657724.db2.gz	FXRSISWRLXJIIB-UHFFFAOYSA-N	0	0	318.333	0.765	10	5		DCBERN
COC(=O)[C@@H](C)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443786478	416783542	/nfs/dbraw/zinc/78/35/42/416783542.db2.gz	ZBMOPGKZUIJOIJ-VIFPVBQESA-N	0	0	316.335	0.823	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC3(CCOCC3)C2)n1	ZINC000617382120	417211529	/nfs/dbraw/zinc/21/15/29/417211529.db2.gz	RFYODSXIHSWFAX-UHFFFAOYSA-N	0	0	324.337	0.833	10	5		DCBERN
COc1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c(C)c1	ZINC000531987092	417652010	/nfs/dbraw/zinc/65/20/10/417652010.db2.gz	GISKIOKZSIIABT-UHFFFAOYSA-N	0	0	305.294	0.820	10	5		DCBERN
CNC(=O)[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C	ZINC000183644377	261116348	/nfs/dbraw/zinc/11/63/48/261116348.db2.gz	RCCGZYKHMYWDEX-ZDUSSCGKSA-N	0	0	308.338	0.894	10	5		DCBERN
CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C)C1	ZINC000357916624	261600950	/nfs/dbraw/zinc/60/09/50/261600950.db2.gz	HTCQGEGNAKFENL-VIFPVBQESA-N	0	0	306.322	0.991	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1	ZINC000362364153	262026409	/nfs/dbraw/zinc/02/64/09/262026409.db2.gz	SSHXQQZGWFZLNB-ZYHUDNBSSA-N	0	0	321.337	0.746	10	5		DCBERN
O=C(COc1cccc([N+](=O)[O-])c1)N1CCN2CCOC[C@@H]2C1	ZINC000363853965	262134144	/nfs/dbraw/zinc/13/41/44/262134144.db2.gz	LHYBARQULWCVON-ZDUSSCGKSA-N	0	0	321.333	0.517	10	5		DCBERN
NS(=O)(=O)c1c(NC[C@@H](O)C(F)F)cccc1[N+](=O)[O-]	ZINC000516617601	272439756	/nfs/dbraw/zinc/43/97/56/272439756.db2.gz	QMSJKMZUIQKNPY-SSDOTTSWSA-N	0	0	311.266	0.280	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](O)CN1CCOCC1	ZINC000128098068	280658457	/nfs/dbraw/zinc/65/84/57/280658457.db2.gz	XFUBOKKSHKYOKP-CYBMUJFWSA-N	0	0	323.349	0.326	10	5		DCBERN
CCOCCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000555936695	288366506	/nfs/dbraw/zinc/36/65/06/288366506.db2.gz	GRCSFNMKBZMPLN-UHFFFAOYSA-N	0	0	321.333	0.632	10	5		DCBERN
NC(=O)[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000158166358	295159049	/nfs/dbraw/zinc/15/90/49/295159049.db2.gz	NTIHSCTXAXROQH-SNVBAGLBSA-N	0	0	313.697	0.575	10	5		DCBERN
O=C(Cn1nc([N+](=O)[O-])nc1Br)[C@@H]1CCOC1	ZINC000231803470	1180555704	/nfs/dbraw/zinc/55/57/04/1180555704.db2.gz	XAKBHOPSCPNZIE-RXMQYKEDSA-N	0	0	305.088	0.554	10	5		DCBERN
CC(C)(C)N1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1=O	ZINC000267632565	518718311	/nfs/dbraw/zinc/71/83/11/518718311.db2.gz	JWFLBYDTLDZOBF-QMMMGPOBSA-N	0	0	321.337	0.900	10	5		DCBERN
CC(=O)NC1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000188564889	519649599	/nfs/dbraw/zinc/64/95/99/519649599.db2.gz	CBZDUWANROBXAM-UHFFFAOYSA-N	0	0	313.335	0.245	10	5		DCBERN
NS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1	ZINC000299658000	534703146	/nfs/dbraw/zinc/70/31/46/534703146.db2.gz	NCCKUWBSWOYVPE-PWSUYJOCSA-N	0	0	315.351	0.958	10	5		DCBERN
CN1CCO[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1	ZINC000130280196	523948026	/nfs/dbraw/zinc/94/80/26/523948026.db2.gz	BLVVDHHNXMFINF-CQSZACIVSA-N	0	0	307.350	0.974	10	5		DCBERN
Cc1ccc(NCCCNC(=O)[C@H]2CNC(=O)C2)c([N+](=O)[O-])c1	ZINC000156931228	525275218	/nfs/dbraw/zinc/27/52/18/525275218.db2.gz	YGRJVZUXSSMEJM-LLVKDONJSA-N	0	0	320.349	0.958	10	5		DCBERN
O=C([C@H]1CNC(=O)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000188460826	526556186	/nfs/dbraw/zinc/55/61/86/526556186.db2.gz	CFPCCWSVUDAXEQ-SECBINFHSA-N	0	0	305.290	0.321	10	5		DCBERN
Cc1sc(C(=O)NCC(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000181044837	526871942	/nfs/dbraw/zinc/87/19/42/526871942.db2.gz	FTKUNGJQDWMTOG-UHFFFAOYSA-N	0	0	313.335	0.553	10	5		DCBERN
NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC(=O)N(C2CC2)C1	ZINC000267766098	527034451	/nfs/dbraw/zinc/03/44/51/527034451.db2.gz	ZIRUHEVZNSKKDF-SSDOTTSWSA-N	0	0	305.294	0.264	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCO[C@]2(CCOC2)C1	ZINC000186093445	527090480	/nfs/dbraw/zinc/09/04/80/527090480.db2.gz	XJOIYHFQLSOVDL-CQSZACIVSA-N	0	0	324.337	0.508	10	5		DCBERN
Cn1cccc1C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000130084408	527389800	/nfs/dbraw/zinc/38/98/00/527389800.db2.gz	AJPUKDANOWRCOD-JSGCOSHPSA-N	0	0	319.317	0.758	10	5		DCBERN
CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000729338740	662789013	/nfs/dbraw/zinc/78/90/13/662789013.db2.gz	QKEZDRCRRJUEHL-JTQLQIEISA-N	0	0	321.341	0.614	10	5		DCBERN
O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1	ZINC000120110092	667260038	/nfs/dbraw/zinc/26/00/38/667260038.db2.gz	ZWJRNDPNOIDLQH-KBPBESRZSA-N	0	0	317.301	0.814	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCc2c1cccc2[N+](=O)[O-]	ZINC000737580696	667622306	/nfs/dbraw/zinc/62/23/06/667622306.db2.gz	BKISFFFBBIDPLX-UHFFFAOYSA-N	0	0	318.249	0.684	10	5		DCBERN
Cc1ccn2ncc(C(=O)OCCn3cc([N+](=O)[O-])cn3)c2n1	ZINC000177782187	685149176	/nfs/dbraw/zinc/14/91/76/685149176.db2.gz	VIXJHJQVFIITDS-UHFFFAOYSA-N	0	0	316.277	0.999	10	5		DCBERN
CC(C)[N@H+](C)CCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000054109040	1171826634	/nfs/dbraw/zinc/82/66/34/1171826634.db2.gz	RABMMWBCMLYWHX-UHFFFAOYSA-N	0	0	317.367	0.919	10	5		DCBERN
CCN(CCCNc1nn(C)cc1[N+](=O)[O-])S(C)(=O)=O	ZINC000231667485	1180555852	/nfs/dbraw/zinc/55/58/52/1180555852.db2.gz	OPVDXAZAUXONLS-UHFFFAOYSA-N	0	0	305.360	0.412	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC(CO)C1	ZINC000310676068	1190390333	/nfs/dbraw/zinc/39/03/33/1190390333.db2.gz	NPEMLAQTHCLQTC-UHFFFAOYSA-N	0	0	316.111	0.817	10	5		DCBERN
O=C(c1cccc(Cl)c1[N+](=O)[O-])N1C[C@H](O)[C@@H](CO)C1	ZINC000317612256	1190421768	/nfs/dbraw/zinc/42/17/68/1190421768.db2.gz	GLQJEWGNPBFXME-XCBNKYQSSA-N	0	0	300.698	0.673	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(C)(C)O	ZINC000092968770	185350772	/nfs/dbraw/zinc/35/07/72/185350772.db2.gz	LRDVKZHTKRRAAK-UHFFFAOYSA-N	0	0	318.351	0.995	10	5		DCBERN
CNC(=O)[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(C)C	ZINC000178585428	529896279	/nfs/dbraw/zinc/89/62/79/529896279.db2.gz	SWKFOQRSHOSWTA-ZDUSSCGKSA-N	0	0	308.338	0.894	10	5		DCBERN
CNC(=O)[C@H]1CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC000172964377	198170685	/nfs/dbraw/zinc/17/06/85/198170685.db2.gz	HRECOMXIBJUIEB-CYBMUJFWSA-N	0	0	320.349	0.768	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](CO)SC)n1	ZINC000191854109	237454289	/nfs/dbraw/zinc/45/42/89/237454289.db2.gz	RUPCMOABMLTKHS-IONNQARKSA-N	0	0	302.356	0.653	10	5		DCBERN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CCN1CC2	ZINC000090698707	283717005	/nfs/dbraw/zinc/71/70/05/283717005.db2.gz	WPJXGIPPVYMTJY-YFCVBGDOSA-N	0	0	316.361	0.724	10	5		DCBERN
CCOc1ccc([N+](=O)[O-])cc1[C@@H]1NC(=O)[C@@H]2COCCN12	ZINC000093884688	193323013	/nfs/dbraw/zinc/32/30/13/193323013.db2.gz	TUPHLPGOFLHHLX-WCQYABFASA-N	0	0	307.306	0.823	10	5		DCBERN
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@H]2CCCC[C@H]21	ZINC000263643378	203490814	/nfs/dbraw/zinc/49/08/14/203490814.db2.gz	DFIYADZRVDBCDT-YPMHNXCESA-N	0	0	321.333	0.927	10	5		DCBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@](O)(C(N)=O)C1	ZINC000286448027	218994829	/nfs/dbraw/zinc/99/48/29/218994829.db2.gz	IRIXFTJGUKZCRV-TUPIDYKKSA-N	0	0	319.317	0.447	10	5		DCBERN
C[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000006823807	395683138	/nfs/dbraw/zinc/68/31/38/395683138.db2.gz	QURSGHQPKUXLAD-SZRPSHQUSA-N	0	0	319.697	0.455	10	5		DCBERN
CC(C)NC(=O)CCNc1nc2ccccn2c(=O)c1[N+](=O)[O-]	ZINC000045026393	395761027	/nfs/dbraw/zinc/76/10/27/395761027.db2.gz	BTVWAZFFEYJOKI-UHFFFAOYSA-N	0	0	319.321	0.929	10	5		DCBERN
Cc1ccc(NC(=O)C(=O)NCC2(C)COC2)cc1[N+](=O)[O-]	ZINC000112757976	395824106	/nfs/dbraw/zinc/82/41/06/395824106.db2.gz	SDXYTWSJOXDSTP-UHFFFAOYSA-N	0	0	307.306	0.994	10	5		DCBERN
NC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000195341054	395825488	/nfs/dbraw/zinc/82/54/88/395825488.db2.gz	IXFYUAAIVALFKP-LBPRGKRZSA-N	0	0	315.289	0.235	10	5		DCBERN
CCn1ccnc1Cn1cc(C(=O)OC)cc([N+](=O)[O-])c1=O	ZINC000195517436	395830363	/nfs/dbraw/zinc/83/03/63/395830363.db2.gz	RSTWVFZOVBTFNI-UHFFFAOYSA-N	0	0	306.278	0.808	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000116113528	395842054	/nfs/dbraw/zinc/84/20/54/395842054.db2.gz	NOUVIYHXFJBJEI-LLVKDONJSA-N	0	0	318.337	0.849	10	5		DCBERN
CNC(=O)[C@@H]1CCCN1C(=O)COc1ccccc1[N+](=O)[O-]	ZINC000053318644	395880477	/nfs/dbraw/zinc/88/04/77/395880477.db2.gz	QBLTULBHSYJWBP-NSHDSACASA-N	0	0	307.306	0.711	10	5		DCBERN
O=[N+]([O-])c1ccn(CCN2CCN(c3cccnn3)CC2)n1	ZINC000176224945	396151482	/nfs/dbraw/zinc/15/14/82/396151482.db2.gz	JGVWZTMLRWMFDD-UHFFFAOYSA-N	0	0	303.326	0.404	10	5		DCBERN
C[C@H](C(=O)N[C@H]1CCC(=O)NC1=O)c1ccc([N+](=O)[O-])cc1F	ZINC000183384149	396269440	/nfs/dbraw/zinc/26/94/40/396269440.db2.gz	CBHKRAAWSYDAIQ-CPCISQLKSA-N	0	0	323.280	0.759	10	5		DCBERN
C[C@H]1C(=O)NCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000189294768	396392963	/nfs/dbraw/zinc/39/29/63/396392963.db2.gz	GRIQEGGIPKZHCX-VIFPVBQESA-N	0	0	306.322	0.404	10	5		DCBERN
CCN1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1=O	ZINC000190650597	396409695	/nfs/dbraw/zinc/40/96/95/396409695.db2.gz	WTEPKLPLMGLBSH-UHFFFAOYSA-N	0	0	313.335	0.714	10	5		DCBERN
Cn1cc([C@@H](O)CNc2ccc([N+](=O)[O-])cc2C(N)=O)cn1	ZINC000301402820	396716400	/nfs/dbraw/zinc/71/64/00/396716400.db2.gz	DIXVIJHAWXWTHZ-LBPRGKRZSA-N	0	0	305.294	0.573	10	5		DCBERN
COc1cc(N2CC[C@@H](S(N)(=O)=O)C2)c([N+](=O)[O-])cc1F	ZINC000611117609	396820036	/nfs/dbraw/zinc/82/00/36/396820036.db2.gz	QYKVNPSZYPLFCE-SSDOTTSWSA-N	0	0	319.314	0.610	10	5		DCBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2CS(N)(=O)=O)n1	ZINC000611617490	396895890	/nfs/dbraw/zinc/89/58/90/396895890.db2.gz	CFLXWDPOIUWTKQ-JTQLQIEISA-N	0	0	314.367	0.864	10	5		DCBERN
O=C1[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CCCN1CCO	ZINC000619745105	397188630	/nfs/dbraw/zinc/18/86/30/397188630.db2.gz	VBZMKIVIVGRIBD-GFCCVEGCSA-N	0	0	320.349	0.958	10	5		DCBERN
CCN1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1=O	ZINC000619802006	397195167	/nfs/dbraw/zinc/19/51/67/397195167.db2.gz	SNDHPQRICHZVCW-GFCCVEGCSA-N	0	0	307.306	0.711	10	5		DCBERN
O=C(NCCCN1CCCS1(=O)=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000608778579	397755718	/nfs/dbraw/zinc/75/57/18/397755718.db2.gz	LRKFVLVSROTHDC-UHFFFAOYSA-N	0	0	316.339	0.078	10	5		DCBERN
CC(=O)N1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000082354788	158087136	/nfs/dbraw/zinc/08/71/36/158087136.db2.gz	GUNAIGXBDWYXLZ-JTQLQIEISA-N	0	0	313.335	0.494	10	5		DCBERN
Nc1c(C(=O)NC[C@]2(CCO)CCOC2)cccc1[N+](=O)[O-]	ZINC000119101279	158182727	/nfs/dbraw/zinc/18/27/27/158182727.db2.gz	VKTNIVKJRIPEFM-AWEZNQCLSA-N	0	0	309.322	0.696	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)O[C@@H](COC)C2)n1	ZINC000191899273	158572241	/nfs/dbraw/zinc/57/22/41/158572241.db2.gz	UAMLVGWFAQRWEN-NXEZZACHSA-N	0	0	312.326	0.687	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H]2COCC[C@@H]21	ZINC000408001056	160007768	/nfs/dbraw/zinc/00/77/68/160007768.db2.gz	MIUZYNAKXHQJGE-YPMHNXCESA-N	0	0	321.333	0.784	10	5		DCBERN
C[C@@]1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCC(=O)NC1	ZINC000408260138	160071567	/nfs/dbraw/zinc/07/15/67/160071567.db2.gz	SLTVBXZUZDYWBU-OAHLLOKOSA-N	0	0	318.333	0.791	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCN1CCOCC1	ZINC000054455377	286896851	/nfs/dbraw/zinc/89/68/51/286896851.db2.gz	CUDQJWUZTYKZPM-UHFFFAOYSA-N	0	0	308.338	0.750	10	5		DCBERN
Cc1ccc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-]	ZINC000150738833	287030294	/nfs/dbraw/zinc/03/02/94/287030294.db2.gz	FDPIAUMYSBJESE-UHFFFAOYSA-N	0	0	318.289	0.553	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]1C(=O)N(C)C	ZINC000125917749	415870803	/nfs/dbraw/zinc/87/08/03/415870803.db2.gz	KYGLQIMYLPCQHW-LLVKDONJSA-N	0	0	323.353	0.569	10	5		DCBERN
COc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)n1	ZINC000128597070	415902459	/nfs/dbraw/zinc/90/24/59/415902459.db2.gz	CVZWMXMWNGSQNY-UHFFFAOYSA-N	0	0	305.294	0.820	10	5		DCBERN
COC[C@H](O)CN(C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-]	ZINC000301133051	416076339	/nfs/dbraw/zinc/07/63/39/416076339.db2.gz	XSIPCPFSQWMLEQ-MRVPVSSYSA-N	0	0	308.294	0.687	10	5		DCBERN
CC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC	ZINC000174849446	416088391	/nfs/dbraw/zinc/08/83/91/416088391.db2.gz	VXSAFVVMHWPKMH-CYBMUJFWSA-N	0	0	311.386	0.834	10	5		DCBERN
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc([N+](=O)[O-])c1N	ZINC000178169822	416157251	/nfs/dbraw/zinc/15/72/51/416157251.db2.gz	LEPKOAUQBANSFI-RKDXNWHRSA-N	0	0	306.322	0.903	10	5		DCBERN
O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H]1CN2CCN1CC2	ZINC000178636345	416167484	/nfs/dbraw/zinc/16/74/84/416167484.db2.gz	ISUDWZLNFNEFHW-GJBLVYBDSA-N	0	0	316.361	0.724	10	5		DCBERN
C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCN1CCO	ZINC000187291793	416261437	/nfs/dbraw/zinc/26/14/37/416261437.db2.gz	AMPLWDMGMAMBJV-LBPRGKRZSA-N	0	0	323.349	0.499	10	5		DCBERN
CCn1cc([C@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)cn1	ZINC000191805236	416290171	/nfs/dbraw/zinc/29/01/71/416290171.db2.gz	VGCNPWLTTBXHFF-LLVKDONJSA-N	0	0	320.309	0.748	10	5		DCBERN
CC(=O)N1CCC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1	ZINC000359941595	416366589	/nfs/dbraw/zinc/36/65/89/416366589.db2.gz	LCGBZUJCXZCCOE-LLVKDONJSA-N	0	0	318.337	1.308	10	5		DCBERN
Nc1nc(NCC[C@H]2COc3ccccc3O2)ncc1[N+](=O)[O-]	ZINC000360783875	416410547	/nfs/dbraw/zinc/41/05/47/416410547.db2.gz	WUQCRRKGXDLLRP-VIFPVBQESA-N	0	0	317.305	1.031	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)NCc1nc(C2CC2)cs1	ZINC000361719921	416482793	/nfs/dbraw/zinc/48/27/93/416482793.db2.gz	GGPKAAFRNSXHKZ-UHFFFAOYSA-N	0	0	308.323	0.837	10	5		DCBERN
COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ncc(C)cn2)c1	ZINC000361084260	416420354	/nfs/dbraw/zinc/42/03/54/416420354.db2.gz	AGVYJFJISANJCC-UHFFFAOYSA-N	0	0	304.262	0.690	10	5		DCBERN
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](O)C(F)F	ZINC000435592700	416526594	/nfs/dbraw/zinc/52/65/94/416526594.db2.gz	IUGRBQSHUVYWSQ-SSDOTTSWSA-N	0	0	311.266	0.280	10	5		DCBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H](O)C(F)F)c1	ZINC000435626014	416529302	/nfs/dbraw/zinc/52/93/02/416529302.db2.gz	JMNLYCBHDCWOOI-VIFPVBQESA-N	0	0	310.278	0.640	10	5		DCBERN
Cn1cc(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)nn1	ZINC000588014920	416520710	/nfs/dbraw/zinc/52/07/10/416520710.db2.gz	FZIRGXBZDCPZCA-UHFFFAOYSA-N	0	0	301.266	0.984	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(N[C@H]3CCO[C@]4(CCOC4)C3)nn21	ZINC000362362943	416567366	/nfs/dbraw/zinc/56/73/66/416567366.db2.gz	XEZCFEKLRHHZMM-IINYFYTJSA-N	0	0	319.321	1.388	10	5		DCBERN
O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCF	ZINC000437672690	416587238	/nfs/dbraw/zinc/58/72/38/416587238.db2.gz	IRJURABIDRBZIB-UHFFFAOYSA-N	0	0	319.314	0.349	10	5		DCBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)NCCc2nnc[nH]2)c1	ZINC000443772908	416780056	/nfs/dbraw/zinc/78/00/56/416780056.db2.gz	OREUIWUZTIVZRO-UHFFFAOYSA-N	0	0	311.323	0.375	10	5		DCBERN
COCCN1CCCN(c2ncc(C)cc2[N+](=O)[O-])CC1=O	ZINC000615730029	416898416	/nfs/dbraw/zinc/89/84/16/416898416.db2.gz	CKLBBXITZBCUSF-UHFFFAOYSA-N	0	0	308.338	0.983	10	5		DCBERN
CN(Cc1cnccn1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000438784732	287375886	/nfs/dbraw/zinc/37/58/86/287375886.db2.gz	JGYWMIIGRNZGHG-UHFFFAOYSA-N	0	0	315.289	0.982	10	5		DCBERN
COCC1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCCCC1	ZINC000362174248	262006476	/nfs/dbraw/zinc/00/64/76/262006476.db2.gz	VSKRRIKFZVFEFJ-UHFFFAOYSA-N	0	0	311.342	0.899	10	5		DCBERN
CCOCc1nc([C@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)no1	ZINC000359490421	271121919	/nfs/dbraw/zinc/12/19/19/271121919.db2.gz	AXKJBJBNTQORMV-QMMMGPOBSA-N	0	0	324.297	0.588	10	5		DCBERN
C[C@H](C(=O)N(C)Cc1nnnn1C)c1cccc([N+](=O)[O-])c1	ZINC000520703489	287687431	/nfs/dbraw/zinc/68/74/31/287687431.db2.gz	QHSNBFNYNHEYCX-VIFPVBQESA-N	0	0	304.310	0.880	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)n1	ZINC000548092828	288111061	/nfs/dbraw/zinc/11/10/61/288111061.db2.gz	OZKGBVIBBVROPB-QMTHXVAHSA-N	0	0	324.337	0.831	10	5		DCBERN
Nc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](C(=O)C2CC2)C1	ZINC000548391329	288138976	/nfs/dbraw/zinc/13/89/76/288138976.db2.gz	XYHVQQBHPVBSFE-GFCCVEGCSA-N	0	0	319.317	0.997	10	5		DCBERN
O=C1CC[C@@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])CN1	ZINC000301112389	280257405	/nfs/dbraw/zinc/25/74/05/280257405.db2.gz	KBOIUNWDWKWUFX-MRVPVSSYSA-N	0	0	303.278	0.293	10	5		DCBERN
Cc1nc(CN(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])no1	ZINC000554617169	288333878	/nfs/dbraw/zinc/33/38/78/288333878.db2.gz	IKHIVEVMNJUTJW-UHFFFAOYSA-N	0	0	313.295	0.502	10	5		DCBERN
Cc1sc(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1[N+](=O)[O-]	ZINC000152265357	526873731	/nfs/dbraw/zinc/87/37/31/526873731.db2.gz	UZUMISFPZCIHFU-APPZFPTMSA-N	0	0	313.335	0.727	10	5		DCBERN
O=C(Cc1ccccc1[N+](=O)[O-])N1CC(NC(=O)C2CC2)C1	ZINC000189381487	527292711	/nfs/dbraw/zinc/29/27/11/527292711.db2.gz	RGBDVIVVNNPWTL-UHFFFAOYSA-N	0	0	303.318	0.874	10	5		DCBERN
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@@H]2C1	ZINC000285114305	536468814	/nfs/dbraw/zinc/46/88/14/536468814.db2.gz	VAEQHAWWJDETCO-YPMHNXCESA-N	0	0	321.333	0.846	10	5		DCBERN
Cc1cc([N+](=O)[O-])cn(CCn2cc([N+](=O)[O-])ccc2=O)c1=O	ZINC000160198700	657484573	/nfs/dbraw/zinc/48/45/73/657484573.db2.gz	LKVWDJHFYDMFES-UHFFFAOYSA-N	0	0	320.261	0.835	10	5		DCBERN
CC[S@@](=O)CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C	ZINC000733883226	666824173	/nfs/dbraw/zinc/82/41/73/666824173.db2.gz	XOMCBDYTUVGYRO-OAQYLSRUSA-N	0	0	316.383	0.683	10	5		DCBERN
C[C@@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H](C(N)=O)O1	ZINC000120191758	667275611	/nfs/dbraw/zinc/27/56/11/667275611.db2.gz	NBJXSFXJHJFYLN-NOZJJQNGSA-N	0	0	319.321	0.477	10	5		DCBERN
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@]12C[C@H]1COC2	ZINC000718033712	685304741	/nfs/dbraw/zinc/30/47/41/685304741.db2.gz	VROYPNQXCPKPCA-CPCISQLKSA-N	0	0	302.283	0.801	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC(O)C1	ZINC000302254047	1190164568	/nfs/dbraw/zinc/16/45/68/1190164568.db2.gz	AOTYRDIXUIVKGZ-UHFFFAOYSA-N	0	0	302.084	0.569	10	5		DCBERN
O=C(c1cccc(Cl)c1[N+](=O)[O-])N1C[C@H](O)[C@H](CO)C1	ZINC000317612257	1190423152	/nfs/dbraw/zinc/42/31/52/1190423152.db2.gz	GLQJEWGNPBFXME-XVKPBYJWSA-N	0	0	300.698	0.673	10	5		DCBERN
CC[C@H](C)[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000043208863	767413105	/nfs/dbraw/zinc/41/31/05/767413105.db2.gz	YKLPGRUXLKTFAL-ZANVPECISA-N	0	0	309.322	0.990	10	5		DCBERN
O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@H](O)[C@@H](CO)C1	ZINC000317495329	775086394	/nfs/dbraw/zinc/08/63/94/775086394.db2.gz	SELQAILUROUSDI-KCJUWKMLSA-N	0	0	300.698	0.673	10	5		DCBERN
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C[C@@H](O)[C@H](CO)C1	ZINC000317595896	775104020	/nfs/dbraw/zinc/10/40/20/775104020.db2.gz	DNYMJZMJWWFZCY-GZMMTYOYSA-N	0	0	300.698	0.673	10	5		DCBERN
C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CCS1(=O)=O	ZINC000172373994	198087678	/nfs/dbraw/zinc/08/76/78/198087678.db2.gz	FIIWZNTXWAKXML-ZETCQYMHSA-N	0	0	304.349	0.915	10	5		DCBERN
C[C@@H]1CCCN(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)C1	ZINC000152821671	237010976	/nfs/dbraw/zinc/01/09/76/237010976.db2.gz	RMZYZDLQDKRNFC-SNVBAGLBSA-N	0	0	317.371	0.358	10	5		DCBERN
Cn1cc(C(N)=O)cc1C(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000175983939	237194180	/nfs/dbraw/zinc/19/41/80/237194180.db2.gz	AJMCDDDNWFPLNG-UHFFFAOYSA-N	0	0	302.290	0.962	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(=O)CC1	ZINC000020564606	182233088	/nfs/dbraw/zinc/23/30/88/182233088.db2.gz	NBBOXTAZCNRDDW-UHFFFAOYSA-N	0	0	314.319	0.957	10	5		DCBERN
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1N1CCOCC1	ZINC000286071272	218776787	/nfs/dbraw/zinc/77/67/87/218776787.db2.gz	LVLNBVGERFTKGQ-KOLCDFICSA-N	0	0	309.326	0.111	10	5		DCBERN
C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])S(N)(=O)=O	ZINC000350616372	254318969	/nfs/dbraw/zinc/31/89/69/254318969.db2.gz	QWDXPYZSEJINLH-ZCFIWIBFSA-N	0	0	305.287	0.141	10	5		DCBERN
O=C1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1	ZINC000045799193	395766513	/nfs/dbraw/zinc/76/65/13/395766513.db2.gz	QNNIYCQKXBVSOI-UHFFFAOYSA-N	0	0	313.335	0.247	10	5		DCBERN
CNC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000195526591	395831520	/nfs/dbraw/zinc/83/15/20/395831520.db2.gz	JOZCOICFDCZHDM-SNVBAGLBSA-N	0	0	307.306	0.954	10	5		DCBERN
CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000116831528	395847078	/nfs/dbraw/zinc/84/70/78/395847078.db2.gz	PTTRUXRFZDTQGH-SNVBAGLBSA-N	0	0	313.335	0.359	10	5		DCBERN
CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1	ZINC000247856625	395979632	/nfs/dbraw/zinc/97/96/32/395979632.db2.gz	YFXXXXYKBYDQCC-YWVKMMECSA-N	0	0	310.310	0.726	10	5		DCBERN
CNC(=O)[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1	ZINC000248436033	395986923	/nfs/dbraw/zinc/98/69/23/395986923.db2.gz	GCIQHWGXBAUOBC-CHWSQXEVSA-N	0	0	309.322	0.075	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(CO)CC1	ZINC000167188394	396089643	/nfs/dbraw/zinc/08/96/43/396089643.db2.gz	CSDSWHGNDSFFGG-UHFFFAOYSA-N	0	0	316.335	0.654	10	5		DCBERN
CCOC(=O)C1(O)CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1	ZINC000077209734	396214955	/nfs/dbraw/zinc/21/49/55/396214955.db2.gz	ITZHGSBGPPXUMT-UHFFFAOYSA-N	0	0	312.326	0.531	10	5		DCBERN
C[C@@H]1C(=O)NCCCN1C(=O)COc1ccccc1[N+](=O)[O-]	ZINC000188942235	396388993	/nfs/dbraw/zinc/38/89/93/396388993.db2.gz	JQUMZESVTITUNT-SNVBAGLBSA-N	0	0	307.306	0.711	10	5		DCBERN
COc1ccc([N+](=O)[O-])c(C(=O)N2CCCNC(=O)[C@H]2C)c1	ZINC000189236666	396391958	/nfs/dbraw/zinc/39/19/58/396391958.db2.gz	KGXRIOWKPGAFIB-SECBINFHSA-N	0	0	307.306	0.954	10	5		DCBERN
C[C@H]1C(=O)NCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000189324572	396393524	/nfs/dbraw/zinc/39/35/24/396393524.db2.gz	GKRKMGHEAZSOSV-RYUDHWBXSA-N	0	0	323.349	0.545	10	5		DCBERN
O=C1NC(=O)[C@]2(CCCN(Cc3csc([N+](=O)[O-])c3)C2)N1	ZINC000192673675	396435125	/nfs/dbraw/zinc/43/51/25/396435125.db2.gz	SEWUZCBKQYARBQ-GFCCVEGCSA-N	0	0	310.335	0.830	10	5		DCBERN
O=C1NCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000594791151	396515550	/nfs/dbraw/zinc/51/55/50/396515550.db2.gz	LBBMPGIAUBUFKL-ZETCQYMHSA-N	0	0	319.726	0.415	10	5		DCBERN
O=[N+]([O-])c1ccc(CS(=O)(=O)NC2CC(CO)C2)cc1	ZINC000595401374	396603082	/nfs/dbraw/zinc/60/30/82/396603082.db2.gz	ZSRRUMRPUVXDGP-UHFFFAOYSA-N	0	0	300.336	0.785	10	5		DCBERN
C[C@@H]1CN(c2ccncc2[N+](=O)[O-])CCN1S(C)(=O)=O	ZINC000596477594	396783932	/nfs/dbraw/zinc/78/39/32/396783932.db2.gz	DJYUKACWHLTYAI-SECBINFHSA-N	0	0	300.340	0.460	10	5		DCBERN
CCN1C(=O)[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)CCN2C1=O	ZINC000610588961	396733086	/nfs/dbraw/zinc/73/30/86/396733086.db2.gz	MEGFTCCHUMNUJU-JTQLQIEISA-N	0	0	305.294	0.463	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ncc([N+](=O)[O-])cc1C	ZINC000596432807	396774358	/nfs/dbraw/zinc/77/43/58/396774358.db2.gz	FWINGSDADPOGBE-ZJUUUORDSA-N	0	0	301.324	0.522	10	5		DCBERN
C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CC1=O	ZINC000611236597	396841510	/nfs/dbraw/zinc/84/15/10/396841510.db2.gz	KXFQQIMPLNDIST-HRDYMLBCSA-N	0	0	307.310	0.067	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H](C[C@H]2CCOC2)C1	ZINC000611355993	396857249	/nfs/dbraw/zinc/85/72/49/396857249.db2.gz	OMNAIBRCQQFRQB-NWDGAFQWSA-N	0	0	323.353	0.852	10	5		DCBERN
COC(=O)CN1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1	ZINC000611615722	396895697	/nfs/dbraw/zinc/89/56/97/396895697.db2.gz	QNBAAGGMTYEWAR-UHFFFAOYSA-N	0	0	308.338	0.902	10	5		DCBERN
Cc1c(NC(=O)C(=O)NCc2cn(C)nn2)cccc1[N+](=O)[O-]	ZINC000611952279	396957520	/nfs/dbraw/zinc/95/75/20/396957520.db2.gz	WUSLRNZJACIYBQ-UHFFFAOYSA-N	0	0	318.293	0.287	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)n1	ZINC000619777399	397190535	/nfs/dbraw/zinc/19/05/35/397190535.db2.gz	XRUHWBSEGBTAPG-JTQLQIEISA-N	0	0	308.294	0.148	10	5		DCBERN
CCN1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000619797810	397193967	/nfs/dbraw/zinc/19/39/67/397193967.db2.gz	QOQDLNKMESUPAK-NSHDSACASA-N	0	0	313.335	0.494	10	5		DCBERN
Nc1c(C(=O)NC2(CCO)CCOCC2)cccc1[N+](=O)[O-]	ZINC000613241192	397225988	/nfs/dbraw/zinc/22/59/88/397225988.db2.gz	KYHWEENMTVLIMD-UHFFFAOYSA-N	0	0	309.322	0.838	10	5		DCBERN
COC[C@@](C)(CO)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1	ZINC000613534906	397274830	/nfs/dbraw/zinc/27/48/30/397274830.db2.gz	XOBZPXSRXVSCLE-CQSZACIVSA-N	0	0	312.322	0.660	10	5		DCBERN
COC[C@@](C)(CO)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C	ZINC000613534921	397276029	/nfs/dbraw/zinc/27/60/29/397276029.db2.gz	XYXIBBGIJLJTFO-CYBMUJFWSA-N	0	0	314.342	0.312	10	5		DCBERN
CCCc1n[nH]c(C(=O)N2CC(n3ccnn3)C2)c1[N+](=O)[O-]	ZINC000378550021	397255375	/nfs/dbraw/zinc/25/53/75/397255375.db2.gz	NNNXKBGVFKKJRI-UHFFFAOYSA-N	0	0	305.298	0.559	10	5		DCBERN
Cc1c(C(=O)N[C@@H]2C[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000087899780	158093608	/nfs/dbraw/zinc/09/36/08/158093608.db2.gz	SHRIQUBJSNZKON-QUBYGPBYSA-N	0	0	313.335	0.689	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2ncnn2C1	ZINC000112663149	158143908	/nfs/dbraw/zinc/14/39/08/158143908.db2.gz	IQPFHQLKWPPDEO-VIFPVBQESA-N	0	0	317.305	0.940	10	5		DCBERN
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@@H]2c2nc[nH]n2)c1	ZINC000121761371	158213747	/nfs/dbraw/zinc/21/37/47/158213747.db2.gz	IUMLDQGBHYAARM-NWDGAFQWSA-N	0	0	321.341	0.498	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H]2COCC[C@@H]21	ZINC000408001053	160007795	/nfs/dbraw/zinc/00/77/95/160007795.db2.gz	MIUZYNAKXHQJGE-AAEUAGOBSA-N	0	0	321.333	0.784	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]23CCOC3)n1	ZINC000408426394	160105875	/nfs/dbraw/zinc/10/58/75/160105875.db2.gz	SNWRUNWPKVABDH-ZDUSSCGKSA-N	0	0	310.310	0.443	10	5		DCBERN
COc1cccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)c1O	ZINC000129937668	286991287	/nfs/dbraw/zinc/99/12/87/286991287.db2.gz	FQBCXWOWSBFWBT-UHFFFAOYSA-N	0	0	306.278	0.936	10	5		DCBERN
CC(=O)N[C@H]1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1	ZINC000151773974	287036008	/nfs/dbraw/zinc/03/60/08/287036008.db2.gz	CUBAFKYEQKXBGY-NSHDSACASA-N	0	0	324.341	0.101	10	5		DCBERN
C[C@@H]1CC[C@H](C(N)=O)CN1c1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000193713901	287061539	/nfs/dbraw/zinc/06/15/39/287061539.db2.gz	BLZOMZNXVKGPCN-SCZZXKLOSA-N	0	0	306.322	0.784	10	5		DCBERN
CCS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000031219256	415182211	/nfs/dbraw/zinc/18/22/11/415182211.db2.gz	OPCUTLVDBFAYQS-UHFFFAOYSA-N	0	0	321.380	0.634	10	5		DCBERN
CN1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCC1=O	ZINC000133580522	415949423	/nfs/dbraw/zinc/94/94/23/415949423.db2.gz	BRICRDFWHJXXEE-SECBINFHSA-N	0	0	322.277	0.854	10	5		DCBERN
COC(=O)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)CC(C)C	ZINC000357369473	416069339	/nfs/dbraw/zinc/06/93/39/416069339.db2.gz	HCFMDSJBUAPYGZ-VIFPVBQESA-N	0	0	313.314	0.138	10	5		DCBERN
Nc1nc(NC[C@H](CO)Cc2ccccn2)ncc1[N+](=O)[O-]	ZINC000301572988	416086966	/nfs/dbraw/zinc/08/69/66/416086966.db2.gz	RREJRDQQZZTPNK-SECBINFHSA-N	0	0	304.310	0.625	10	5		DCBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@H]1C(N)=O	ZINC000183691990	416249112	/nfs/dbraw/zinc/24/91/12/416249112.db2.gz	TVLTTWKKPOGWCP-FROQITRMSA-N	0	0	319.317	0.711	10	5		DCBERN
Cc1nn(C)c(C)c1CCNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000193303121	416314382	/nfs/dbraw/zinc/31/43/82/416314382.db2.gz	OHNDRNQZMKTHOC-UHFFFAOYSA-N	0	0	306.326	0.501	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)n1	ZINC000191666103	416288722	/nfs/dbraw/zinc/28/87/22/416288722.db2.gz	LNZRDIBHXXJRLN-RYUDHWBXSA-N	0	0	324.337	0.831	10	5		DCBERN
CCOC(=O)[C@H]1CCCN1C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191884204	416292163	/nfs/dbraw/zinc/29/21/63/416292163.db2.gz	MRGYMTWFOKEYET-SECBINFHSA-N	0	0	310.310	0.979	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC(=O)N(C)C1	ZINC000360489851	416392315	/nfs/dbraw/zinc/39/23/15/416392315.db2.gz	MZPOQHBJLNJWKU-UHFFFAOYSA-N	0	0	322.321	0.664	10	5		DCBERN
CCn1nncc1CN1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000459507654	416547104	/nfs/dbraw/zinc/54/71/04/416547104.db2.gz	KVZOACQALIPEBD-UHFFFAOYSA-N	0	0	317.353	0.923	10	5		DCBERN
O=C(COc1ccccc1[N+](=O)[O-])N1CC(n2ccnn2)C1	ZINC000368601009	416672864	/nfs/dbraw/zinc/67/28/64/416672864.db2.gz	DPUDWQMMDVBSGN-UHFFFAOYSA-N	0	0	303.278	0.649	10	5		DCBERN
COc1cc(C(=O)N2CCN3CCOC[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC000368825144	416695257	/nfs/dbraw/zinc/69/52/57/416695257.db2.gz	NFJIWYHCWVDBFK-LBPRGKRZSA-N	0	0	321.333	0.760	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@]3(CCOC3)C2)n1	ZINC000617385314	417213172	/nfs/dbraw/zinc/21/31/72/417213172.db2.gz	FCUPMSCHTMDLDT-ZDUSSCGKSA-N	0	0	310.310	0.443	10	5		DCBERN
CCOC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC12COC2	ZINC000450573933	417237742	/nfs/dbraw/zinc/23/77/42/417237742.db2.gz	YMYXAAXSEIVUHS-SNVBAGLBSA-N	0	0	308.294	0.401	10	5		DCBERN
CCOC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC12COC2	ZINC000452620924	417493095	/nfs/dbraw/zinc/49/30/95/417493095.db2.gz	ZRVHTWBFWISWGG-VIFPVBQESA-N	0	0	324.289	0.840	10	5		DCBERN
CC[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)NC	ZINC000452093528	417446068	/nfs/dbraw/zinc/44/60/68/417446068.db2.gz	VECBUZLLAZZEHH-NSHDSACASA-N	0	0	315.351	0.539	10	5		DCBERN
CC(C)[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H](CO)C(C)C	ZINC000456179247	417629273	/nfs/dbraw/zinc/62/92/73/417629273.db2.gz	NMNOZNLHWIRTKA-CMPLNLGQSA-N	0	0	313.358	0.592	10	5		DCBERN
O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2cccnn2)CC1	ZINC000195047154	261150905	/nfs/dbraw/zinc/15/09/05/261150905.db2.gz	CYSUKPNBDRRXLX-UHFFFAOYSA-N	0	0	303.278	0.940	10	5		DCBERN
C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O	ZINC000230878454	261154048	/nfs/dbraw/zinc/15/40/48/261154048.db2.gz	VKUBMJDVWAVVDS-SKDRFNHKSA-N	0	0	300.336	0.986	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC(=O)N(C)C1	ZINC000360466325	261835408	/nfs/dbraw/zinc/83/54/08/261835408.db2.gz	GWVZFIIFBJXYGO-UHFFFAOYSA-N	0	0	322.321	0.664	10	5		DCBERN
Cn1c2cc(F)ccc2nc1NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000362145679	262003976	/nfs/dbraw/zinc/00/39/76/262003976.db2.gz	JMVMKOADWBLVEV-UHFFFAOYSA-N	0	0	319.256	0.851	10	5		DCBERN
O=C(CNc1ccccc1[N+](=O)[O-])N1CCN2CCOC[C@@H]2C1	ZINC000363857481	262135175	/nfs/dbraw/zinc/13/51/75/262135175.db2.gz	PVARKVWBDXKUBF-LBPRGKRZSA-N	0	0	320.349	0.550	10	5		DCBERN
C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1N1CCOCC1	ZINC000408038344	278420032	/nfs/dbraw/zinc/42/00/32/278420032.db2.gz	KQSPTMOORVEXRQ-QWRGUYRKSA-N	0	0	323.353	0.121	10	5		DCBERN
CCOc1ccc(C(=O)N2CC[C@@H](CO)[C@H](O)C2)cc1[N+](=O)[O-]	ZINC000547403565	288043856	/nfs/dbraw/zinc/04/38/56/288043856.db2.gz	QTXPPKUKKINPSB-WCQYABFASA-N	0	0	324.333	0.809	10	5		DCBERN
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])[C@@H]2C1	ZINC000285828624	290168408	/nfs/dbraw/zinc/16/84/08/290168408.db2.gz	PHFVZQQGDRBYMD-OLZOCXBDSA-N	0	0	321.333	0.846	10	5		DCBERN
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)[C@@H]2C1	ZINC000285716790	290235023	/nfs/dbraw/zinc/23/50/23/290235023.db2.gz	JOBWVLSVIFBZKT-TZMCWYRMSA-N	0	0	321.333	0.846	10	5		DCBERN
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@H]2C1	ZINC000285114296	536469227	/nfs/dbraw/zinc/46/92/27/536469227.db2.gz	VAEQHAWWJDETCO-AAEUAGOBSA-N	0	0	321.333	0.846	10	5		DCBERN
O=C(Cn1nccc1[N+](=O)[O-])NCCN1CCc2ccccc21	ZINC000128044070	527427123	/nfs/dbraw/zinc/42/71/23/527427123.db2.gz	UHQXXJZUGRETJN-UHFFFAOYSA-N	0	0	315.333	0.970	10	5		DCBERN
Cc1cccc2nc(COC(=O)Cn3cnc([N+](=O)[O-])n3)cn21	ZINC000730041117	662956057	/nfs/dbraw/zinc/95/60/57/662956057.db2.gz	ZRHVBSDLPPCVLH-UHFFFAOYSA-N	0	0	316.277	0.886	10	5		DCBERN
Cc1nn(CN2CCO[C@H](Cn3cccn3)C2)c(C)c1[N+](=O)[O-]	ZINC000152846798	664776848	/nfs/dbraw/zinc/77/68/48/664776848.db2.gz	BYOFULORVLFMGG-ZDUSSCGKSA-N	0	0	320.353	0.963	10	5		DCBERN
CC(C)c1nccn1CCNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000732963615	665024376	/nfs/dbraw/zinc/02/43/76/665024376.db2.gz	MBBYMFRUQAHFFQ-UHFFFAOYSA-N	0	0	307.314	0.323	10	5		DCBERN
CS(=O)(=O)N[C@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1	ZINC000703162485	667064292	/nfs/dbraw/zinc/06/42/92/667064292.db2.gz	KKEQMYOBNKNNCC-QMMMGPOBSA-N	0	0	303.315	0.862	10	5		DCBERN
CC(C)CNC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000042893644	669830338	/nfs/dbraw/zinc/83/03/38/669830338.db2.gz	BYTDUNCGIOPHBZ-QWHCGFSZSA-N	0	0	311.338	0.944	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C(F)F)C2)n1	ZINC000194174017	670408398	/nfs/dbraw/zinc/40/83/98/670408398.db2.gz	TVHLSBNROKCENY-QMMMGPOBSA-N	0	0	304.253	0.917	10	5		DCBERN
CN1C(=O)C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1=O	ZINC000116074103	670997875	/nfs/dbraw/zinc/99/78/75/670997875.db2.gz	NLNVPYWBDZSIAY-VIFPVBQESA-N	0	0	311.681	0.735	10	5		DCBERN
CN(CCS(N)(=O)=O)C(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000719428193	952477115	/nfs/dbraw/zinc/47/71/15/952477115.db2.gz	BNLUWPXVMBRBHZ-UHFFFAOYSA-N	0	0	321.742	0.609	10	5		DCBERN
O=C(NCC(F)F)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000181313099	199279981	/nfs/dbraw/zinc/27/99/81/199279981.db2.gz	KYHLOQWVXUHNGP-ONGXEEELSA-N	0	0	319.264	0.553	10	5		DCBERN
O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000174692444	198371640	/nfs/dbraw/zinc/37/16/40/198371640.db2.gz	ZTWOSZPZXFQFRL-SDDRHHMPSA-N	0	0	320.305	0.103	10	5		DCBERN
COC(=O)C1CCC(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1	ZINC000180413997	199155363	/nfs/dbraw/zinc/15/53/63/199155363.db2.gz	AMKIPVDDKRBGCK-UHFFFAOYSA-N	0	0	324.337	0.887	10	5		DCBERN
O=C([O-])[C@@H]1C[NH2+]CCN1c1cnc2cc([N+](=O)[O-])ccc2n1	ZINC000095073761	304133869	/nfs/dbraw/zinc/13/38/69/304133869.db2.gz	SURUBXBABSMTKA-NSHDSACASA-N	0	0	303.278	0.401	10	5		DCBERN
O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@H](Cn2cccn2)C1	ZINC000111076705	194389228	/nfs/dbraw/zinc/38/92/28/194389228.db2.gz	GLHTXKGZQVHRHL-JTQLQIEISA-N	0	0	306.278	0.926	10	5		DCBERN
Cc1cccc(C(=O)NC[C@H](C)S(N)(=O)=O)c1[N+](=O)[O-]	ZINC000350621047	254319839	/nfs/dbraw/zinc/31/98/39/254319839.db2.gz	PRIDDNYZEXFYNF-QMMMGPOBSA-N	0	0	301.324	0.310	10	5		DCBERN
CC(=O)c1ccc(N2CC[C@H]3OCC(=O)N[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000366623702	130939584	/nfs/dbraw/zinc/93/95/84/130939584.db2.gz	YUDUSGXZPSDBLY-BXUZGUMPSA-N	0	0	319.317	0.891	10	5		DCBERN
Cc1n[nH]c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-]	ZINC000285623751	131187492	/nfs/dbraw/zinc/18/74/92/131187492.db2.gz	DPIOVDNPRGHCKY-ZJUUUORDSA-N	0	0	309.326	0.171	10	5		DCBERN
COc1ccc(S(=O)(=O)NCC[C@@H](C)O)c([N+](=O)[O-])c1	ZINC000086014729	395702653	/nfs/dbraw/zinc/70/26/53/395702653.db2.gz	JGHVIMCXQHOXOH-MRVPVSSYSA-N	0	0	304.324	0.653	10	5		DCBERN
C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC(C)(C)O1	ZINC000195358126	395825570	/nfs/dbraw/zinc/82/55/70/395825570.db2.gz	JJIQRLVDODFYPP-SNVBAGLBSA-N	0	0	309.322	0.782	10	5		DCBERN
NS(=O)(=O)c1cccc(NC[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-]	ZINC000272481185	395894281	/nfs/dbraw/zinc/89/42/81/395894281.db2.gz	JJFSVEVCTABGCZ-WCBMZHEXSA-N	0	0	315.351	0.815	10	5		DCBERN
Cc1cnn(CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)c1	ZINC000151064140	395977860	/nfs/dbraw/zinc/97/78/60/395977860.db2.gz	GCTBTLBRRIJWAY-UHFFFAOYSA-N	0	0	307.314	0.296	10	5		DCBERN
CCc1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)cc1[N+](=O)[O-]	ZINC000152145245	396001389	/nfs/dbraw/zinc/00/13/89/396001389.db2.gz	RQKGUSQAGCYJHW-JTQLQIEISA-N	0	0	305.290	0.692	10	5		DCBERN
CS(=O)(=O)N1CCC[C@H](Nc2ccncc2[N+](=O)[O-])C1	ZINC000066810604	396014249	/nfs/dbraw/zinc/01/42/49/396014249.db2.gz	IJPMRXMNCIBTKW-VIFPVBQESA-N	0	0	300.340	0.826	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)[C@@H](C)CO	ZINC000177792858	396184106	/nfs/dbraw/zinc/18/41/06/396184106.db2.gz	YZERTPRDYNTGOF-VHSXEESVSA-N	0	0	309.322	0.975	10	5		DCBERN
C[C@@]1(C(N)=O)CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000185927063	396337237	/nfs/dbraw/zinc/33/72/37/396337237.db2.gz	OZEHAKSNBUOTEY-HNNXBMFYSA-N	0	0	320.349	0.924	10	5		DCBERN
C[C@@H]1C(=O)NCCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC000188854921	396388180	/nfs/dbraw/zinc/38/81/80/396388180.db2.gz	IBCXWOMVJIACNG-LLVKDONJSA-N	0	0	320.349	0.768	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(NC(=O)C2CC2)C1	ZINC000189433837	396395972	/nfs/dbraw/zinc/39/59/72/396395972.db2.gz	XQBGUAJOWWROLY-UHFFFAOYSA-N	0	0	319.317	0.954	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ccc([N+](=O)[O-])cc1F	ZINC000596436856	396777449	/nfs/dbraw/zinc/77/74/49/396777449.db2.gz	UEVDUMUJDYXBIL-GHMZBOCLSA-N	0	0	304.299	0.958	10	5		DCBERN
COC(=O)C1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCCC1	ZINC000610617680	396737337	/nfs/dbraw/zinc/73/73/37/396737337.db2.gz	XNPBKUGOFSTFAV-UHFFFAOYSA-N	0	0	311.298	0.036	10	5		DCBERN
COCCN1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1=O	ZINC000611617415	396895933	/nfs/dbraw/zinc/89/59/33/396895933.db2.gz	PHAABOYRFRWRAO-UHFFFAOYSA-N	0	0	308.338	0.902	10	5		DCBERN
Cc1cc(S(=O)(=O)NCc2cn(C)nn2)ccc1[N+](=O)[O-]	ZINC000611935445	396951697	/nfs/dbraw/zinc/95/16/97/396951697.db2.gz	RUIWFNBVGCZYKM-UHFFFAOYSA-N	0	0	311.323	0.510	10	5		DCBERN
Cc1sc(S(=O)(=O)NCc2cn(C)nn2)cc1[N+](=O)[O-]	ZINC000613483115	397265460	/nfs/dbraw/zinc/26/54/60/397265460.db2.gz	VQOUWCVZUNMSBE-UHFFFAOYSA-N	0	0	317.352	0.572	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(N3CC[C@@H](n4cncn4)C3)nn21	ZINC000614414595	397434677	/nfs/dbraw/zinc/43/46/77/397434677.db2.gz	HRKDTUMHBPQBEQ-SECBINFHSA-N	0	0	300.282	0.680	10	5		DCBERN
Cc1nccn1C[C@@H]1CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000610524037	397828635	/nfs/dbraw/zinc/82/86/35/397828635.db2.gz	ULFZMYOMLAGZPZ-NSHDSACASA-N	0	0	319.325	0.382	10	5		DCBERN
C[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000401595952	533675947	/nfs/dbraw/zinc/67/59/47/533675947.db2.gz	VPIPGDHLLUKWHK-MWLCHTKSSA-N	0	0	300.336	0.986	10	5		DCBERN
CN(C)C(=O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000064243240	158032304	/nfs/dbraw/zinc/03/23/04/158032304.db2.gz	NIPZTFJILMLMCV-UHFFFAOYSA-N	0	0	307.353	0.365	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN[C@@H](C)C1	ZINC000088059384	158093564	/nfs/dbraw/zinc/09/35/64/158093564.db2.gz	CRMWTOITIJBIAU-VIFPVBQESA-N	0	0	315.351	0.586	10	5		DCBERN
COC(=O)c1ccc([N+](=O)[O-])c(NCCNS(C)(=O)=O)c1	ZINC000136296168	158342921	/nfs/dbraw/zinc/34/29/21/158342921.db2.gz	NDTAXKJNFFDRIX-UHFFFAOYSA-N	0	0	317.323	0.343	10	5		DCBERN
Cc1nc2n(n1)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)CC2	ZINC000171335355	158381817	/nfs/dbraw/zinc/38/18/17/158381817.db2.gz	KLWIOZANMBEMPU-JTQLQIEISA-N	0	0	316.321	0.943	10	5		DCBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000249510426	158708232	/nfs/dbraw/zinc/70/82/32/158708232.db2.gz	ZRZQAXJQZVFZFZ-RNSXUZJQSA-N	0	0	308.294	0.732	10	5		DCBERN
Cc1cc(C(=O)N2CC(n3ccnn3)C2)c(N)c([N+](=O)[O-])c1	ZINC000374774229	159751344	/nfs/dbraw/zinc/75/13/44/159751344.db2.gz	AVSDZXFTHAQTEB-UHFFFAOYSA-N	0	0	302.294	0.774	10	5		DCBERN
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1N1CCOCC1	ZINC000408231196	160064872	/nfs/dbraw/zinc/06/48/72/160064872.db2.gz	GJPXTJHUKOZKJA-YPMHNXCESA-N	0	0	322.365	0.726	10	5		DCBERN
Cn1cc(C(N)=O)cc1C(=O)NCc1ccccc1[N+](=O)[O-]	ZINC000121821342	286956378	/nfs/dbraw/zinc/95/63/78/286956378.db2.gz	FKPQTNVIVZJPLF-UHFFFAOYSA-N	0	0	302.290	0.962	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cn(C)c(=O)n(C)c1=O	ZINC000150742353	287030500	/nfs/dbraw/zinc/03/05/00/287030500.db2.gz	CWBJACOIUDYKPF-UHFFFAOYSA-N	0	0	318.289	0.553	10	5		DCBERN
C[C@H]1CC[C@H](C(N)=O)CN1c1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000193713914	287061376	/nfs/dbraw/zinc/06/13/76/287061376.db2.gz	BLZOMZNXVKGPCN-WPRPVWTQSA-N	0	0	306.322	0.784	10	5		DCBERN
C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CCS1(=O)=O	ZINC000268141506	415166217	/nfs/dbraw/zinc/16/62/17/415166217.db2.gz	IWOWEBXNCCOHAF-QMMMGPOBSA-N	0	0	316.310	0.993	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cccnc1N(C)C	ZINC000065867081	415356453	/nfs/dbraw/zinc/35/64/53/415356453.db2.gz	OPPKQCVSIQOMHI-UHFFFAOYSA-N	0	0	318.337	0.877	10	5		DCBERN
Nc1ccc(C(=O)NC[C@H]2CN(C3CC3)CCO2)cc1[N+](=O)[O-]	ZINC000115164691	415725242	/nfs/dbraw/zinc/72/52/42/415725242.db2.gz	VHUYLJQENGTEIH-LBPRGKRZSA-N	0	0	320.349	0.770	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)CS(C)(=O)=O	ZINC000112192290	415707044	/nfs/dbraw/zinc/70/70/44/415707044.db2.gz	OAZVMTIFFIEGHN-QMMMGPOBSA-N	0	0	315.351	0.803	10	5		DCBERN
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000173503159	416060304	/nfs/dbraw/zinc/06/03/04/416060304.db2.gz	QUUKDCPRMMISFO-VIFPVBQESA-N	0	0	320.353	0.889	10	5		DCBERN
O=c1c([N+](=O)[O-])c(NCCn2cccn2)nc2ccccn12	ZINC000301067057	416074411	/nfs/dbraw/zinc/07/44/11/416074411.db2.gz	FKFUFPFVQKYMPM-UHFFFAOYSA-N	0	0	300.278	0.911	10	5		DCBERN
O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1	ZINC000174854620	416088019	/nfs/dbraw/zinc/08/80/19/416088019.db2.gz	DWPDSVBXWNPVQO-LBPRGKRZSA-N	0	0	305.342	0.795	10	5		DCBERN
CCOc1ccc(C(=O)N[C@H]2CCN(C(N)=O)C2)cc1[N+](=O)[O-]	ZINC000357638674	416109165	/nfs/dbraw/zinc/10/91/65/416109165.db2.gz	LIKYPIDNPKEYJQ-JTQLQIEISA-N	0	0	322.321	0.876	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCn2ncnc21	ZINC000177528709	416148066	/nfs/dbraw/zinc/14/80/66/416148066.db2.gz	ZZXPMKPRKHHRBO-JTQLQIEISA-N	0	0	319.325	0.733	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCN1CC2	ZINC000178627422	416167765	/nfs/dbraw/zinc/16/77/65/416167765.db2.gz	CKWSGSVICVXRHP-LBPRGKRZSA-N	0	0	305.338	0.028	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1C[C@H]2CCC[C@@H](C1)C2O	ZINC000178779115	416172004	/nfs/dbraw/zinc/17/20/04/416172004.db2.gz	AQRRXBQLXGJXSF-USUYBEQLSA-N	0	0	307.306	0.928	10	5		DCBERN
CNC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)CCO1	ZINC000183557525	416244957	/nfs/dbraw/zinc/24/49/57/416244957.db2.gz	FDXBZXQBPKWGJU-LBPRGKRZSA-N	0	0	307.306	0.490	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnc(N(C)C)nc2)n1	ZINC000191684735	416287812	/nfs/dbraw/zinc/28/78/12/416287812.db2.gz	PJNRWMXVXYSBOB-UHFFFAOYSA-N	0	0	305.298	0.920	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(CC(C)C)C(=O)C2)n1	ZINC000191718108	416289054	/nfs/dbraw/zinc/28/90/54/416289054.db2.gz	ARUHJCCWMKZJPO-UHFFFAOYSA-N	0	0	323.353	0.752	10	5		DCBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H](O)C(F)F)c1	ZINC000435626013	416527717	/nfs/dbraw/zinc/52/77/17/416527717.db2.gz	JMNLYCBHDCWOOI-SECBINFHSA-N	0	0	310.278	0.640	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCO[C@]4(CCOC4)C3)nn21	ZINC000362362944	416566089	/nfs/dbraw/zinc/56/60/89/416566089.db2.gz	XEZCFEKLRHHZMM-QMTHXVAHSA-N	0	0	319.321	1.388	10	5		DCBERN
O=[N+]([O-])c1ccc(NCCCN2CCCS2(=O)=O)nc1	ZINC000608779303	416653241	/nfs/dbraw/zinc/65/32/41/416653241.db2.gz	VPDOGBIBPCAIJV-UHFFFAOYSA-N	0	0	300.340	0.827	10	5		DCBERN
Cn1c2ccc(F)cc2nc1NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000437175785	287361010	/nfs/dbraw/zinc/36/10/10/287361010.db2.gz	KDYSMSZVPULOHC-UHFFFAOYSA-N	0	0	319.256	0.851	10	5		DCBERN
COc1cccc(C(=O)N2CC[C@@H](NC(N)=O)C2)c1[N+](=O)[O-]	ZINC000444315076	287420607	/nfs/dbraw/zinc/42/06/07/287420607.db2.gz	QGZAFKVWMADNFL-MRVPVSSYSA-N	0	0	308.294	0.486	10	5		DCBERN
C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000188364806	261127287	/nfs/dbraw/zinc/12/72/87/261127287.db2.gz	KFPUOUWRUFNWCN-ZETCQYMHSA-N	0	0	319.364	0.508	10	5		DCBERN
Cc1cc(COCC(=O)NCCn2cc([N+](=O)[O-])cn2)on1	ZINC000193788867	261143758	/nfs/dbraw/zinc/14/37/58/261143758.db2.gz	NNJWODBAGVEDGB-UHFFFAOYSA-N	0	0	309.282	0.421	10	5		DCBERN
CN1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1=O	ZINC000360504917	261839777	/nfs/dbraw/zinc/83/97/77/261839777.db2.gz	QWTQXRLRABHQMP-UHFFFAOYSA-N	0	0	320.305	0.624	10	5		DCBERN
CC(C)O[C@@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1(C)C	ZINC000362083562	261997589	/nfs/dbraw/zinc/99/75/89/261997589.db2.gz	QIWDCODUHKZCGQ-VHSXEESVSA-N	0	0	311.342	0.895	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1	ZINC000362364152	262026444	/nfs/dbraw/zinc/02/64/44/262026444.db2.gz	SSHXQQZGWFZLNB-PWSUYJOCSA-N	0	0	321.337	0.746	10	5		DCBERN
CNC(=O)[C@@]1(C)CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1	ZINC000362382634	262028325	/nfs/dbraw/zinc/02/83/25/262028325.db2.gz	AGCZRPBWHMVKGS-ZDUSSCGKSA-N	0	0	304.310	0.600	10	5		DCBERN
CCNC(=O)CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000362568883	262047912	/nfs/dbraw/zinc/04/79/12/262047912.db2.gz	UUYXPYBSRIPBOQ-UHFFFAOYSA-N	0	0	323.305	0.161	10	5		DCBERN
CCOc1ccc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)cc1[N+](=O)[O-]	ZINC000547403563	288043931	/nfs/dbraw/zinc/04/39/31/288043931.db2.gz	QTXPPKUKKINPSB-AAEUAGOBSA-N	0	0	324.333	0.809	10	5		DCBERN
C[C@H]1OCC[C@]12CN(C(=O)c1nn(C)cc1[N+](=O)[O-])CCO2	ZINC000548749052	288173304	/nfs/dbraw/zinc/17/33/04/288173304.db2.gz	NDZBJDLULRPOFB-RNCFNFMXSA-N	0	0	310.310	0.348	10	5		DCBERN
O=C1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCN1	ZINC000157113566	304631287	/nfs/dbraw/zinc/63/12/87/304631287.db2.gz	ZVTPDAFBHNOPSI-UHFFFAOYSA-N	0	0	317.298	0.245	10	5		DCBERN
COC(=O)/C=C(/C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000584611556	337372201	/nfs/dbraw/zinc/37/22/01/337372201.db2.gz	LAJJLZDTIZBSNH-FPLPWBNLSA-N	0	0	300.292	0.950	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)n1	ZINC000270942351	527328269	/nfs/dbraw/zinc/32/82/69/527328269.db2.gz	MYFHJECOSJLFAE-RKDXNWHRSA-N	0	0	307.310	0.212	10	5		DCBERN
Nc1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1[N+](=O)[O-]	ZINC000189382364	527466406	/nfs/dbraw/zinc/46/64/06/527466406.db2.gz	QWBPGEXCKXTLMJ-UHFFFAOYSA-N	0	0	304.306	0.528	10	5		DCBERN
CCC[C@@H]1C(=O)NCCN1C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191693711	527730996	/nfs/dbraw/zinc/73/09/96/527730996.db2.gz	UDCLVXALTSTKNW-SECBINFHSA-N	0	0	309.326	0.552	10	5		DCBERN
NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000168589695	664526252	/nfs/dbraw/zinc/52/62/52/664526252.db2.gz	PHSMBLAWWVKDIG-XCBNKYQSSA-N	0	0	313.697	0.309	10	5		DCBERN
O=C(COC(=O)Cn1ccc([N+](=O)[O-])n1)NC1CCCCC1	ZINC000061548267	664607826	/nfs/dbraw/zinc/60/78/26/664607826.db2.gz	VEQVLYHJEPJZDW-UHFFFAOYSA-N	0	0	310.310	0.783	10	5		DCBERN
O=C1Nc2cc(I)c([N+](=O)[O-])cc2C1=O	ZINC000757189355	670358656	/nfs/dbraw/zinc/35/86/56/670358656.db2.gz	NLWIIOHFPBJNRY-UHFFFAOYSA-N	0	0	318.026	0.025	10	5		DCBERN
Nc1c(Cl)cc(C(=O)NCC(=O)NC2CC2)cc1[N+](=O)[O-]	ZINC000050703427	1171737262	/nfs/dbraw/zinc/73/72/62/1171737262.db2.gz	SQZDRXFEVJVDDF-UHFFFAOYSA-N	0	0	312.713	0.839	10	5		DCBERN
Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCCC1=O	ZINC000184167304	199683039	/nfs/dbraw/zinc/68/30/39/199683039.db2.gz	HLMXWTWFCYLERI-UHFFFAOYSA-N	0	0	306.322	0.919	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(=O)N1CCOCC1	ZINC000181069272	199248194	/nfs/dbraw/zinc/24/81/94/199248194.db2.gz	WJUSLYPOPGISRK-UHFFFAOYSA-N	0	0	307.306	0.492	10	5		DCBERN
COc1cc(C(=O)N2CCN(CCO)[C@@H](C)C2)ccc1[N+](=O)[O-]	ZINC000187289169	200089445	/nfs/dbraw/zinc/08/94/45/200089445.db2.gz	ASNHZUJVCNOCCQ-NSHDSACASA-N	0	0	323.349	0.742	10	5		DCBERN
C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CCN1CCO	ZINC000189259473	237394948	/nfs/dbraw/zinc/39/49/48/237394948.db2.gz	USFMVXYOVIWMGO-JTQLQIEISA-N	0	0	309.326	0.520	10	5		DCBERN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N(CCO)CCO)c1	ZINC000034320348	182731426	/nfs/dbraw/zinc/73/14/26/182731426.db2.gz	VGMUNJDJYDTFQV-UHFFFAOYSA-N	0	0	324.742	0.224	10	5		DCBERN
Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](NS(C)(=O)=O)C1	ZINC000092655284	395732354	/nfs/dbraw/zinc/73/23/54/395732354.db2.gz	XDSMFAYXVUUPSO-VIFPVBQESA-N	0	0	300.340	0.426	10	5		DCBERN
CCOc1ccc([N+](=O)[O-])cc1[C@@H]1NC(=O)[C@H]2COCCN21	ZINC000093884686	395739350	/nfs/dbraw/zinc/73/93/50/395739350.db2.gz	TUPHLPGOFLHHLX-DGCLKSJQSA-N	0	0	307.306	0.823	10	5		DCBERN
O=[N+]([O-])C12CC3([N+](=O)[O-])CC([N+](=O)[O-])(C1)CC([N+](=O)[O-])(C2)C3	ZINC000104840176	395778985	/nfs/dbraw/zinc/77/89/85/395778985.db2.gz	JGOQKNQVXMIWDT-UHFFFAOYSA-N	0	0	316.226	0.430	10	5		DCBERN
O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CN(C2CC2)CCO1	ZINC000115164546	395838413	/nfs/dbraw/zinc/83/84/13/395838413.db2.gz	LWZTUEMTJCJEPZ-ZDUSSCGKSA-N	0	0	323.353	0.161	10	5		DCBERN
C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000183184672	396265008	/nfs/dbraw/zinc/26/50/08/396265008.db2.gz	GZGYULAIGHIMNT-HQRLLJBISA-N	0	0	312.394	0.702	10	5		DCBERN
CCc1ccc(C(=O)N2CC(NC(=O)COC)C2)cc1[N+](=O)[O-]	ZINC000185220861	396321766	/nfs/dbraw/zinc/32/17/66/396321766.db2.gz	KHBDTWUAHLRPNB-UHFFFAOYSA-N	0	0	321.333	0.744	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCOC2)C1	ZINC000186021142	396339533	/nfs/dbraw/zinc/33/95/33/396339533.db2.gz	NPOJAIMCOIBVIP-CQSZACIVSA-N	0	0	307.306	0.930	10	5		DCBERN
O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC(CO)C2)cc1	ZINC000185754161	396334773	/nfs/dbraw/zinc/33/47/73/396334773.db2.gz	RBNQISDPWUXAIN-UHFFFAOYSA-N	0	0	300.336	0.391	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2Cn2ccnc2)n1	ZINC000600840497	396955989	/nfs/dbraw/zinc/95/59/89/396955989.db2.gz	OHQHORHQPKMQGC-SNVBAGLBSA-N	0	0	304.310	0.830	10	5		DCBERN
O=C(NCCCN1CCCS1(=O)=O)c1ccc([N+](=O)[O-])o1	ZINC000608778556	397755360	/nfs/dbraw/zinc/75/53/60/397755360.db2.gz	JOCSADFVUKUVPM-UHFFFAOYSA-N	0	0	317.323	0.343	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CN(C2CC2)CCO1	ZINC000114856792	158158144	/nfs/dbraw/zinc/15/81/44/158158144.db2.gz	JUVNNXOSSJLORU-LBPRGKRZSA-N	0	0	323.353	0.079	10	5		DCBERN
O=C(CN1CCNC(=O)CC1)N1CCc2cc([N+](=O)[O-])ccc21	ZINC000125669150	158258166	/nfs/dbraw/zinc/25/81/66/158258166.db2.gz	VQFYPGLKGIBOFO-UHFFFAOYSA-N	0	0	318.333	0.306	10	5		DCBERN
NC(=O)c1ccc(NC[C@]2(CCO)CCOC2)c([N+](=O)[O-])c1	ZINC000131685961	158304706	/nfs/dbraw/zinc/30/47/06/158304706.db2.gz	SEMRHXZXNPVBHT-AWEZNQCLSA-N	0	0	309.322	0.895	10	5		DCBERN
O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](N2CCOCC2)C1	ZINC000172759803	158399569	/nfs/dbraw/zinc/39/95/69/158399569.db2.gz	FFRYRYGDHIMCKO-GFCCVEGCSA-N	0	0	323.353	0.115	10	5		DCBERN
Cc1cc(C(=O)N2CCN3CCOC[C@H]3C2)c(N)c([N+](=O)[O-])c1	ZINC000369388856	159454240	/nfs/dbraw/zinc/45/42/40/159454240.db2.gz	IXIXBIQXKPGZSV-LLVKDONJSA-N	0	0	320.349	0.642	10	5		DCBERN
Cn1cnc([N+](=O)[O-])c1N1CCC[C@](O)(C(=O)N2CCCC2)C1	ZINC000408037148	160018306	/nfs/dbraw/zinc/01/83/06/160018306.db2.gz	ZBOQLXZRLZNJHB-CQSZACIVSA-N	0	0	323.353	0.282	10	5		DCBERN
CC(C)C(=O)N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1	ZINC000408095965	160034996	/nfs/dbraw/zinc/03/49/96/160034996.db2.gz	SWCQVJJAFJOXKG-UHFFFAOYSA-N	0	0	309.326	0.269	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCC[C@H](C(N)=O)C1	ZINC000131862412	287002566	/nfs/dbraw/zinc/00/25/66/287002566.db2.gz	PWDPCCPXZYOULO-UWVGGRQHSA-N	0	0	309.326	0.260	10	5		DCBERN
O=C1C[C@@]2(CN1)CCCN(c1ccc3ncc([N+](=O)[O-])n3n1)C2	ZINC000408060111	287232866	/nfs/dbraw/zinc/23/28/66/287232866.db2.gz	SEEJKJOZTBINDB-CQSZACIVSA-N	0	0	316.321	0.744	10	5		DCBERN
C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCS1(=O)=O	ZINC000122120415	415825240	/nfs/dbraw/zinc/82/52/40/415825240.db2.gz	AWYCYPVJNLFMJS-MRVPVSSYSA-N	0	0	313.335	0.436	10	5		DCBERN
CS(=O)(=O)N1CC[C@H](CNc2ccncc2[N+](=O)[O-])C1	ZINC000338051693	416039765	/nfs/dbraw/zinc/03/97/65/416039765.db2.gz	ANJDCVKSVJNXFN-SECBINFHSA-N	0	0	300.340	0.105	10	5		DCBERN
Cc1nnc([C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCO2)[nH]1	ZINC000174878645	416090194	/nfs/dbraw/zinc/09/01/94/416090194.db2.gz	SPZFULZRQGWOCM-NSHDSACASA-N	0	0	307.314	0.291	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(NC[C@@]3(CCO)CCOC3)nn21	ZINC000301953248	416097591	/nfs/dbraw/zinc/09/75/91/416097591.db2.gz	JUODCCNAFCFJAM-CYBMUJFWSA-N	0	0	307.310	0.839	10	5		DCBERN
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](CO)C1CC1	ZINC000357782602	416131945	/nfs/dbraw/zinc/13/19/45/416131945.db2.gz	NLXVIVQASOXCQI-SECBINFHSA-N	0	0	315.351	0.673	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCCN(CC)C(=O)C2)n1	ZINC000191721531	416288050	/nfs/dbraw/zinc/28/80/50/416288050.db2.gz	SMDJWSAHNILFBZ-UHFFFAOYSA-N	0	0	309.326	0.506	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(CC3CC3)CC2)n1	ZINC000191778657	416289158	/nfs/dbraw/zinc/28/91/58/416289158.db2.gz	QURQXEQAZJCUMD-UHFFFAOYSA-N	0	0	307.354	0.979	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)n1	ZINC000191834930	416290338	/nfs/dbraw/zinc/29/03/38/416290338.db2.gz	MWBNAKSNLMHGIX-VIFPVBQESA-N	0	0	323.353	0.940	10	5		DCBERN
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000615818756	416916486	/nfs/dbraw/zinc/91/64/86/416916486.db2.gz	OWZIXSYTNJSALJ-QXEWZRGKSA-N	0	0	322.321	0.742	10	5		DCBERN
CCOC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC12COC2	ZINC000450573965	417241244	/nfs/dbraw/zinc/24/12/44/417241244.db2.gz	YPWIBKZCVNDBLJ-SNVBAGLBSA-N	0	0	322.321	0.709	10	5		DCBERN
CC(C)[C@H]1OCCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000488057017	287545415	/nfs/dbraw/zinc/54/54/15/287545415.db2.gz	LRIPYESHQVXTFI-CMPLNLGQSA-N	0	0	311.342	0.754	10	5		DCBERN
CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](NS(C)(=O)=O)C1	ZINC000192602944	276722210	/nfs/dbraw/zinc/72/22/10/276722210.db2.gz	LOZJFPLGJOMCAA-SECBINFHSA-N	0	0	317.371	0.248	10	5		DCBERN
CNC(=O)c1ccc(N2CCC[C@@H]2C(=O)NC)c([N+](=O)[O-])c1	ZINC000264951349	277017206	/nfs/dbraw/zinc/01/72/06/277017206.db2.gz	XAIWHHKDBHQCBV-LLVKDONJSA-N	0	0	306.322	0.669	10	5		DCBERN
COC(=O)c1cc(N2CCN(C)C(=O)C2)cc(C)c1[N+](=O)[O-]	ZINC000130881671	277152401	/nfs/dbraw/zinc/15/24/01/277152401.db2.gz	SRRMBMBLVNXLMT-UHFFFAOYSA-N	0	0	307.306	0.968	10	5		DCBERN
CC(=O)N1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1	ZINC000556932003	288404141	/nfs/dbraw/zinc/40/41/41/288404141.db2.gz	XJMXVUJNOBGLSX-LBPRGKRZSA-N	0	0	321.333	0.958	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2C(=O)OC)n1	ZINC000191493460	288710785	/nfs/dbraw/zinc/71/07/85/288710785.db2.gz	JCBUGGWKEWHIDG-SECBINFHSA-N	0	0	310.310	0.979	10	5		DCBERN
CS(=O)(=O)N1CCN(c2ccc(N)c([N+](=O)[O-])c2)CC1	ZINC000584592916	337373633	/nfs/dbraw/zinc/37/36/33/337373633.db2.gz	DIZIPIHOIMYYHU-UHFFFAOYSA-N	0	0	300.340	0.259	10	5		DCBERN
O=C1O[C@H]2CC[C@@H]1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2	ZINC000584641119	337379950	/nfs/dbraw/zinc/37/99/50/337379950.db2.gz	IJMODFJBLMUHJD-ONGXEEELSA-N	0	0	312.303	0.673	10	5		DCBERN
CC(=O)N1CC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1	ZINC000576258794	341836621	/nfs/dbraw/zinc/83/66/21/341836621.db2.gz	LQTVMFIAKNLLOS-GFCCVEGCSA-N	0	0	320.349	0.991	10	5		DCBERN
Cc1cc(C)n([C@@H](C)C(=O)NCCn2cc([N+](=O)[O-])cn2)n1	ZINC000157004309	534118403	/nfs/dbraw/zinc/11/84/03/534118403.db2.gz	DWBNYSNZYXWOFH-NSHDSACASA-N	0	0	306.326	0.982	10	5		DCBERN
Cc1cc(C(=O)NCC(=O)NCC2(C)COC2)ccc1[N+](=O)[O-]	ZINC000183579157	526264965	/nfs/dbraw/zinc/26/49/65/526264965.db2.gz	GKBWVIVJSAFMOT-UHFFFAOYSA-N	0	0	321.333	0.786	10	5		DCBERN
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[C@@H]2C1	ZINC000285275525	536479581	/nfs/dbraw/zinc/47/95/81/536479581.db2.gz	AWZLOEYESJWELE-TZMCWYRMSA-N	0	0	321.333	0.846	10	5		DCBERN
O=C(COCc1ccccc1)OCCn1cnc([N+](=O)[O-])n1	ZINC000176672310	658927125	/nfs/dbraw/zinc/92/71/25/658927125.db2.gz	FEYPCNRSIDLXTR-UHFFFAOYSA-N	0	0	306.278	0.946	10	5		DCBERN
COc1cccc(C(=O)N2CC(n3ccnn3)C2)c1[N+](=O)[O-]	ZINC000444344617	665108007	/nfs/dbraw/zinc/10/80/07/665108007.db2.gz	QTYKLMUFPLQZDZ-UHFFFAOYSA-N	0	0	303.278	0.892	10	5		DCBERN
Cc1ncc2c(n1)CCC[C@@H]2NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000734800203	666913776	/nfs/dbraw/zinc/91/37/76/666913776.db2.gz	DSFYGSJUBRWFKD-NSHDSACASA-N	0	0	317.309	0.479	10	5		DCBERN
NC(=O)[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000158880621	669929823	/nfs/dbraw/zinc/92/98/23/669929823.db2.gz	JGKLMEHUFYXXTO-JTQLQIEISA-N	0	0	313.697	0.575	10	5		DCBERN
CC(C)C(=O)N1CCC[C@H]1C(=O)OCCn1cc([N+](=O)[O-])cn1	ZINC000177777175	685149126	/nfs/dbraw/zinc/14/91/26/685149126.db2.gz	PWCYACWTEFLLGL-LBPRGKRZSA-N	0	0	324.337	0.982	10	5		DCBERN
C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCS1(=O)=O	ZINC000246248903	1183039382	/nfs/dbraw/zinc/03/93/82/1183039382.db2.gz	JAGVUWXOEJBBRO-ZWNOBZJWSA-N	0	0	314.363	0.747	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)c(Cl)c1	ZINC000323521226	1190445351	/nfs/dbraw/zinc/44/53/51/1190445351.db2.gz	UDWASZXCGGODBA-BDAKNGLRSA-N	0	0	322.726	0.286	10	5		DCBERN
O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000182133759	199391555	/nfs/dbraw/zinc/39/15/55/199391555.db2.gz	VHVOLRZMUIKGRP-GFCCVEGCSA-N	0	0	323.349	0.877	10	5		DCBERN
Cc1sc(C(=O)NCCNC(=O)N(C)C)cc1[N+](=O)[O-]	ZINC000179574219	199057232	/nfs/dbraw/zinc/05/72/32/199057232.db2.gz	RDDBEWOAWMNGSQ-UHFFFAOYSA-N	0	0	300.340	0.966	10	5		DCBERN
C[C@@H]1C[C@@H]1NC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000180957006	199234231	/nfs/dbraw/zinc/23/42/31/199234231.db2.gz	PUSLRKWCAJXEQX-ZJNJWXDTSA-N	0	0	309.322	0.697	10	5		DCBERN
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CCN1CCO	ZINC000187271281	200087055	/nfs/dbraw/zinc/08/70/55/200087055.db2.gz	ZHIWOAAONSFNOI-SNVBAGLBSA-N	0	0	311.313	0.873	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](n2cncn2)C1	ZINC000105855221	194147507	/nfs/dbraw/zinc/14/75/07/194147507.db2.gz	RXBJXSVDDFBTPR-LLVKDONJSA-N	0	0	319.325	0.555	10	5		DCBERN
CN1C(=O)N[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21	ZINC000286499302	219021271	/nfs/dbraw/zinc/02/12/71/219021271.db2.gz	WQZFOGVMCCUOQX-NEPJUHHUSA-N	0	0	304.306	0.833	10	5		DCBERN
Cc1cc(C(=O)NC[C@H](C)S(N)(=O)=O)ccc1[N+](=O)[O-]	ZINC000350615764	254319106	/nfs/dbraw/zinc/31/91/06/254319106.db2.gz	JWHZYDDRLMMCAK-QMMMGPOBSA-N	0	0	301.324	0.310	10	5		DCBERN
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)S(N)(=O)=O	ZINC000350626934	254320654	/nfs/dbraw/zinc/32/06/54/254320654.db2.gz	BUUVVPUFFDMGMH-LURJTMIESA-N	0	0	305.287	0.141	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)NCCNC(=O)c1ccccc1	ZINC000044695993	395758128	/nfs/dbraw/zinc/75/81/28/395758128.db2.gz	INYDDGUOLZRZIQ-UHFFFAOYSA-N	0	0	317.305	0.338	10	5		DCBERN
CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@H]1CC(=O)NC1=O	ZINC000101516058	395764706	/nfs/dbraw/zinc/76/47/06/395764706.db2.gz	LKGBTAGYPKHKKE-NSHDSACASA-N	0	0	305.290	0.780	10	5		DCBERN
NC(=O)c1ccc(=O)n(CCOc2ccccc2[N+](=O)[O-])n1	ZINC000102147108	395769121	/nfs/dbraw/zinc/76/91/21/395769121.db2.gz	XQEMPUYKEBXGAI-UHFFFAOYSA-N	0	0	304.262	0.329	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]12CCOC2	ZINC000194421594	395796707	/nfs/dbraw/zinc/79/67/07/395796707.db2.gz	HUKYIEMJAPKHNI-AWEZNQCLSA-N	0	0	307.306	0.930	10	5		DCBERN
CC(C)(NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(N)=O	ZINC000057256055	395941575	/nfs/dbraw/zinc/94/15/75/395941575.db2.gz	NKBLHOXFAVKAHF-UHFFFAOYSA-N	0	0	317.305	0.774	10	5		DCBERN
O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cnn(-c2ncccn2)c1	ZINC000151856091	395994856	/nfs/dbraw/zinc/99/48/56/395994856.db2.gz	ZZQSXSGTEGXEJJ-UHFFFAOYSA-N	0	0	314.265	0.406	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cnn(-c2ncccn2)c1	ZINC000172535141	396132000	/nfs/dbraw/zinc/13/20/00/396132000.db2.gz	BTCDYBQRSBFAGB-UHFFFAOYSA-N	0	0	314.265	0.406	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2C(=O)NC[C@@H]2C1	ZINC000176252929	396153131	/nfs/dbraw/zinc/15/31/31/396153131.db2.gz	GMBCRSUEQGHXEJ-LLVKDONJSA-N	0	0	304.306	0.753	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1CO	ZINC000179169604	396223055	/nfs/dbraw/zinc/22/30/55/396223055.db2.gz	TZJCXHZYTLHITB-CHWSQXEVSA-N	0	0	323.349	0.659	10	5		DCBERN
CC(C)c1n[nH]c(C(=O)N2CC(=O)N(C)[C@H](C)C2)c1[N+](=O)[O-]	ZINC000282319013	396280613	/nfs/dbraw/zinc/28/06/13/396280613.db2.gz	JNOLCNMMGXWDHX-MRVPVSSYSA-N	0	0	309.326	0.744	10	5		DCBERN
O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000185110902	396318024	/nfs/dbraw/zinc/31/80/24/396318024.db2.gz	NCENHWWBMAMYRK-LBPRGKRZSA-N	0	0	323.349	0.877	10	5		DCBERN
Cc1cc(C(=O)N2CCCN(C)C(=O)C2)c(N)c([N+](=O)[O-])c1	ZINC000190382695	396405954	/nfs/dbraw/zinc/40/59/54/396405954.db2.gz	AZRDYRCDWYPKGL-UHFFFAOYSA-N	0	0	306.322	0.790	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C(=O)N2CCCCC2)n1	ZINC000191780933	396425093	/nfs/dbraw/zinc/42/50/93/396425093.db2.gz	YVJONEAUMHJFLF-SNVBAGLBSA-N	0	0	323.353	0.942	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC/C=C\CO	ZINC000594822031	396522409	/nfs/dbraw/zinc/52/24/09/396522409.db2.gz	XUEUMVRHLOOBHW-IHWYPQMZSA-N	0	0	302.308	0.430	10	5		DCBERN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CC(CO)C1	ZINC000595400526	396603011	/nfs/dbraw/zinc/60/30/11/396603011.db2.gz	MBZRDUHHZVVQFW-UHFFFAOYSA-N	0	0	300.336	0.952	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1cc(C)c([N+](=O)[O-])cn1	ZINC000596437676	396777791	/nfs/dbraw/zinc/77/77/91/396777791.db2.gz	XVIFWQFALWJALY-WCBMZHEXSA-N	0	0	301.324	0.522	10	5		DCBERN
NC(=O)[C@@]1(O)CCCN(c2c(Cl)cncc2[N+](=O)[O-])C1	ZINC000312497369	396764869	/nfs/dbraw/zinc/76/48/69/396764869.db2.gz	QEGAEMWKLLPQTD-LLVKDONJSA-N	0	0	300.702	0.460	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1C	ZINC000596432805	396774598	/nfs/dbraw/zinc/77/45/98/396774598.db2.gz	FWINGSDADPOGBE-VHSXEESVSA-N	0	0	301.324	0.522	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1c(F)cccc1[N+](=O)[O-]	ZINC000596438006	396777368	/nfs/dbraw/zinc/77/73/68/396777368.db2.gz	ZCPMTHXROQJDMS-WCBMZHEXSA-N	0	0	304.299	0.958	10	5		DCBERN
Cn1cc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)nn1	ZINC000611973684	396967485	/nfs/dbraw/zinc/96/74/85/396967485.db2.gz	DJMZBQMLUDRBET-UHFFFAOYSA-N	0	0	305.250	0.382	10	5		DCBERN
CCN1CC[C@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1=O	ZINC000619801722	397195146	/nfs/dbraw/zinc/19/51/46/397195146.db2.gz	MCJXLWUIBBPYLW-NSHDSACASA-N	0	0	307.306	0.954	10	5		DCBERN
CC(=O)c1cc(N2CCO[C@@H](CC(N)=O)C2)ccc1[N+](=O)[O-]	ZINC000599188943	397358131	/nfs/dbraw/zinc/35/81/31/397358131.db2.gz	XYAPBPUPSYSCGX-NSHDSACASA-N	0	0	307.306	0.878	10	5		DCBERN
Nc1c(C(=O)N2CCN(C3CC3)C(=O)C2)cccc1[N+](=O)[O-]	ZINC000610522881	397828833	/nfs/dbraw/zinc/82/88/33/397828833.db2.gz	DIELZOWAYSBTBU-UHFFFAOYSA-N	0	0	304.306	0.624	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C	ZINC000068217297	158041714	/nfs/dbraw/zinc/04/17/14/158041714.db2.gz	MGYBFTVMJRJCDR-WCBMZHEXSA-N	0	0	309.326	0.212	10	5		DCBERN
CS(=O)(=O)c1cc(N2CCC[C@H]2CO)ccc1[N+](=O)[O-]	ZINC000124653739	158245090	/nfs/dbraw/zinc/24/50/90/158245090.db2.gz	ATPUQWNOQRIGBS-JTQLQIEISA-N	0	0	300.336	0.959	10	5		DCBERN
O=C(CN1CCN2CCOC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-]	ZINC000368325589	159387504	/nfs/dbraw/zinc/38/75/04/159387504.db2.gz	BAZZIPPDPBZQRI-LBPRGKRZSA-N	0	0	320.349	0.550	10	5		DCBERN
CN1CCOC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000408049449	160023028	/nfs/dbraw/zinc/02/30/28/160023028.db2.gz	ZSXGCNGZQQQOCL-GFCCVEGCSA-N	0	0	323.353	0.285	10	5		DCBERN
C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)S1=O	ZINC000408343358	160088342	/nfs/dbraw/zinc/08/83/42/160088342.db2.gz	PCGDANYRKKNRTK-YUMQZZPRSA-N	0	0	300.340	0.310	10	5		DCBERN
CC(=O)N[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C1	ZINC000128040155	286980648	/nfs/dbraw/zinc/98/06/48/286980648.db2.gz	UOKLTILUZFXTCB-LBPRGKRZSA-N	0	0	323.353	0.617	10	5		DCBERN
C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000106889243	415651381	/nfs/dbraw/zinc/65/13/81/415651381.db2.gz	IWXIFEDBFASEME-LURJTMIESA-N	0	0	305.337	0.165	10	5		DCBERN
CCNC(=O)C1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1	ZINC000121322167	415801713	/nfs/dbraw/zinc/80/17/13/415801713.db2.gz	NNTCUSBRMLXLFN-UHFFFAOYSA-N	0	0	321.333	0.958	10	5		DCBERN
O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC(=O)NC1=O	ZINC000153457099	415980515	/nfs/dbraw/zinc/98/05/15/415980515.db2.gz	ZCKRLDXCGVQYJW-NSHDSACASA-N	0	0	305.290	0.449	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2C(=O)NC[C@H]2C1	ZINC000176252952	416122581	/nfs/dbraw/zinc/12/25/81/416122581.db2.gz	GMBCRSUEQGHXEJ-NSHDSACASA-N	0	0	304.306	0.753	10	5		DCBERN
CC[C@@H](O)CN1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1	ZINC000183584213	416246157	/nfs/dbraw/zinc/24/61/57/416246157.db2.gz	GHBLKGCFEGZUHA-LLVKDONJSA-N	0	0	323.353	0.910	10	5		DCBERN
COC[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)OC	ZINC000358533232	416251377	/nfs/dbraw/zinc/25/13/77/416251377.db2.gz	USPXAQDMZDIQGU-GFCCVEGCSA-N	0	0	318.351	0.676	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC2(C(N)=O)CCCCC2)n1	ZINC000191540919	416286420	/nfs/dbraw/zinc/28/64/20/416286420.db2.gz	BPEKOSRFTOWWTO-UHFFFAOYSA-N	0	0	309.326	0.729	10	5		DCBERN
COC(=O)c1cc([N+](=O)[O-])cn(Cc2ncc(C)cn2)c1=O	ZINC000361086031	416420330	/nfs/dbraw/zinc/42/03/30/416420330.db2.gz	LLJWZHMTHFUZOJ-UHFFFAOYSA-N	0	0	304.262	0.690	10	5		DCBERN
CCc1nc(C(C)(C)NC(=O)c2c([N+](=O)[O-])cnn2C)no1	ZINC000443364605	416755025	/nfs/dbraw/zinc/75/50/25/416755025.db2.gz	PHBKVVVNSOWHGT-UHFFFAOYSA-N	0	0	308.298	0.939	10	5		DCBERN
COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CCO)[C@H](C)C2)c1	ZINC000187262568	261122542	/nfs/dbraw/zinc/12/25/42/261122542.db2.gz	SZEPNJSABVHLAJ-LLVKDONJSA-N	0	0	323.349	0.742	10	5		DCBERN
C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000188364783	261126803	/nfs/dbraw/zinc/12/68/03/261126803.db2.gz	KFPUOUWRUFNWCN-SSDOTTSWSA-N	0	0	319.364	0.508	10	5		DCBERN
O=C(CNc1ccccc1[N+](=O)[O-])N1CCN2CCOC[C@H]2C1	ZINC000363857480	262134872	/nfs/dbraw/zinc/13/48/72/262134872.db2.gz	PVARKVWBDXKUBF-GFCCVEGCSA-N	0	0	320.349	0.550	10	5		DCBERN
CC(=O)N1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@@H](C)C1	ZINC000359020939	271092036	/nfs/dbraw/zinc/09/20/36/271092036.db2.gz	RYNBNTAMPJJFTP-VIFPVBQESA-N	0	0	307.310	0.496	10	5		DCBERN
CCOCc1nc([C@@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)no1	ZINC000359490417	271121627	/nfs/dbraw/zinc/12/16/27/271121627.db2.gz	AXKJBJBNTQORMV-MRVPVSSYSA-N	0	0	324.297	0.588	10	5		DCBERN
COCC[C@H](CO)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000359984223	271153510	/nfs/dbraw/zinc/15/35/10/271153510.db2.gz	LBVRUAOJJABMIG-LLVKDONJSA-N	0	0	318.351	0.412	10	5		DCBERN
CCOc1ccc(C(=O)NCCOCC(N)=O)cc1[N+](=O)[O-]	ZINC000443800832	271720802	/nfs/dbraw/zinc/72/08/02/271720802.db2.gz	GAFUGOFVSILOQN-UHFFFAOYSA-N	0	0	311.294	0.225	10	5		DCBERN
CNc1ccc(C(=O)N2CC[C@H](NC(N)=O)C2)cc1[N+](=O)[O-]	ZINC000535713555	287837818	/nfs/dbraw/zinc/83/78/18/287837818.db2.gz	ULPAAGGIURBRCB-VIFPVBQESA-N	0	0	307.310	0.519	10	5		DCBERN
CN1C(=O)N[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CC[C@@H]21	ZINC000408034836	277017598	/nfs/dbraw/zinc/01/75/98/277017598.db2.gz	VVNUZPCZKHHMHF-BDAKNGLRSA-N	0	0	317.309	0.240	10	5		DCBERN
CCn1nc(C)c([N+](=O)[O-])c1N1CCS(=O)(=O)[C@@H](C)C1	ZINC000192610362	281667684	/nfs/dbraw/zinc/66/76/84/281667684.db2.gz	YNIOOLOHVNHHJC-QMMMGPOBSA-N	0	0	302.356	0.743	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNC[C@@H]1C	ZINC000054371022	295255289	/nfs/dbraw/zinc/25/52/89/295255289.db2.gz	KCPRMKPCXKZJPY-VIFPVBQESA-N	0	0	315.351	0.586	10	5		DCBERN
Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2C)c([N+](=O)[O-])c1	ZINC000408098742	301673107	/nfs/dbraw/zinc/67/31/07/301673107.db2.gz	GUERDICPOVVNMQ-VIFPVBQESA-N	0	0	313.335	0.412	10	5		DCBERN
CC(=O)NC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1	ZINC000188559403	519649355	/nfs/dbraw/zinc/64/93/55/519649355.db2.gz	MUHYCNWNOMGXQL-UHFFFAOYSA-N	0	0	313.335	0.412	10	5		DCBERN
CC(=O)NC1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1	ZINC000188555486	519649574	/nfs/dbraw/zinc/64/95/74/519649574.db2.gz	YUSIAQZKBPPGOY-UHFFFAOYSA-N	0	0	313.335	0.412	10	5		DCBERN
CCCC(=O)N[C@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1	ZINC000130544506	519876472	/nfs/dbraw/zinc/87/64/72/519876472.db2.gz	USEIGHZAHGUUQS-VIFPVBQESA-N	0	0	309.326	0.839	10	5		DCBERN
CCCc1n[nH]c(C(=O)NCCc2nc(C)no2)c1[N+](=O)[O-]	ZINC000109621047	521327205	/nfs/dbraw/zinc/32/72/05/521327205.db2.gz	WNLSOKGKHBAJQQ-UHFFFAOYSA-N	0	0	308.298	0.934	10	5		DCBERN
C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCS1(=O)=O	ZINC000176803619	524875749	/nfs/dbraw/zinc/87/57/49/524875749.db2.gz	NCNWDIDAYOYGKS-MRVPVSSYSA-N	0	0	313.335	0.436	10	5		DCBERN
COc1ccc(S(=O)(=O)NC[C@@H](O)C(C)C)c([N+](=O)[O-])c1	ZINC000158858379	525060072	/nfs/dbraw/zinc/06/00/72/525060072.db2.gz	KOURCAVMOPSQNO-LLVKDONJSA-N	0	0	318.351	0.899	10	5		DCBERN
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)C(N)=O)c1	ZINC000161567333	525555761	/nfs/dbraw/zinc/55/57/61/525555761.db2.gz	CLLYTIPGGQFWJJ-ZCFIWIBFSA-N	0	0	321.742	0.709	10	5		DCBERN
O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC(=O)NC1=O	ZINC000153457006	526605149	/nfs/dbraw/zinc/60/51/49/526605149.db2.gz	ZCKRLDXCGVQYJW-LLVKDONJSA-N	0	0	305.290	0.449	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H](C)O	ZINC000344893721	663079998	/nfs/dbraw/zinc/07/99/98/663079998.db2.gz	LCPCVAIAXUDZBB-SFYZADRCSA-N	0	0	304.324	0.651	10	5		DCBERN
O=C(CCn1cc([N+](=O)[O-])cn1)OCCN1CCCCC1=O	ZINC000119139008	667088217	/nfs/dbraw/zinc/08/82/17/667088217.db2.gz	DAGLMIODTXQKQE-UHFFFAOYSA-N	0	0	310.310	0.737	10	5		DCBERN
C[C@H](O)CCN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O	ZINC000122827127	667688319	/nfs/dbraw/zinc/68/83/19/667688319.db2.gz	JGOZNDLYPVWGGX-ZETCQYMHSA-N	0	0	300.292	0.510	10	5		DCBERN
COC(=O)/C(C)=C/Cn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O	ZINC000742207187	667783888	/nfs/dbraw/zinc/78/38/88/667783888.db2.gz	WVKPPXMXYFZBRT-XBXARRHUSA-N	0	0	310.262	0.662	10	5		DCBERN
O=C(NCC1CC1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000042891890	669830278	/nfs/dbraw/zinc/83/02/78/669830278.db2.gz	QUFPXXKMTGNXRZ-CHWSQXEVSA-N	0	0	309.322	0.698	10	5		DCBERN
CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CS(=O)(=O)C[C@H]1C	ZINC000341052095	945276418	/nfs/dbraw/zinc/27/64/18/945276418.db2.gz	PKCCVDIDOAGQQM-APPZFPTMSA-N	0	0	302.356	0.965	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCS(N)(=O)=O	ZINC000719423091	952477020	/nfs/dbraw/zinc/47/70/20/952477020.db2.gz	RSKGMLFEFUOHBJ-UHFFFAOYSA-N	0	0	301.324	0.264	10	5		DCBERN
O=[N+]([O-])c1ccc(OC[C@H](O)CN2CCOCC2)c(F)c1	ZINC000153906752	237026067	/nfs/dbraw/zinc/02/60/67/237026067.db2.gz	KBGOAQZATLNVDU-LLVKDONJSA-N	0	0	300.286	0.806	10	5		DCBERN
O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000089753060	192858752	/nfs/dbraw/zinc/85/87/52/192858752.db2.gz	SVQFESDMIVHCGJ-QMMMGPOBSA-N	0	0	311.681	0.783	10	5		DCBERN
COc1ccc(C(=O)N2CCN(CCO)[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000187286617	200088943	/nfs/dbraw/zinc/08/89/43/200088943.db2.gz	INIGLLJJQBVIRN-NSHDSACASA-N	0	0	323.349	0.742	10	5		DCBERN
CC(=O)N[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1	ZINC000159757599	291236593	/nfs/dbraw/zinc/23/65/93/291236593.db2.gz	PFVCOJKJKLDYOK-LBPRGKRZSA-N	0	0	308.338	0.357	10	5		DCBERN
CCOc1ccc([N+](=O)[O-])cc1[C@H]1NC(=O)[C@H]2COCCN21	ZINC000093884687	193323089	/nfs/dbraw/zinc/32/30/89/193323089.db2.gz	TUPHLPGOFLHHLX-YPMHNXCESA-N	0	0	307.306	0.823	10	5		DCBERN
CNC(=O)[C@H]1CCCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C	ZINC000104362232	194001931	/nfs/dbraw/zinc/00/19/31/194001931.db2.gz	JNVPWYONEWUIBX-LLVKDONJSA-N	0	0	323.353	0.535	10	5		DCBERN
CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC	ZINC000053993765	183918621	/nfs/dbraw/zinc/91/86/21/183918621.db2.gz	UTAHSJRLSFEVDA-SNVBAGLBSA-N	0	0	302.308	0.825	10	5		DCBERN
O=[N+]([O-])c1ccc(N2CCN3CCOC[C@H]3C2)c2nonc21	ZINC000364888018	285126256	/nfs/dbraw/zinc/12/62/56/285126256.db2.gz	XVOCXIKZKDXNRF-SECBINFHSA-N	0	0	305.294	0.652	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)O	ZINC000087040128	395705526	/nfs/dbraw/zinc/70/55/26/395705526.db2.gz	FHIZOWMDFVMJSA-UHFFFAOYSA-N	0	0	304.324	0.653	10	5		DCBERN
CCOC(=O)CC[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])nc1C	ZINC000089804899	395715240	/nfs/dbraw/zinc/71/52/40/395715240.db2.gz	CCGVVBZCHREWLL-SECBINFHSA-N	0	0	312.326	0.948	10	5		DCBERN
Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](NS(C)(=O)=O)C1	ZINC000092655285	395732491	/nfs/dbraw/zinc/73/24/91/395732491.db2.gz	XDSMFAYXVUUPSO-SECBINFHSA-N	0	0	300.340	0.426	10	5		DCBERN
CCc1nn(C)c(N2CCN([C@@H](CC)CO)CC2)c1[N+](=O)[O-]	ZINC000091727928	395726975	/nfs/dbraw/zinc/72/69/75/395726975.db2.gz	RTJSUNLYSLQBTI-NSHDSACASA-N	0	0	311.386	0.784	10	5		DCBERN
Cc1nc2cccc([N+](=O)[O-])c2c(=O)n1[C@@H]1CCC(=O)NC1=O	ZINC000113477297	395830781	/nfs/dbraw/zinc/83/07/81/395830781.db2.gz	KHEXQYOPAOPUQQ-SNVBAGLBSA-N	0	0	316.273	0.591	10	5		DCBERN
C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCO1	ZINC000116977894	395849572	/nfs/dbraw/zinc/84/95/72/395849572.db2.gz	GXNJXSZDJBLWST-LLVKDONJSA-N	0	0	309.322	0.703	10	5		DCBERN
CNC(=O)[C@H]1CCCN1C(=O)COc1cccc([N+](=O)[O-])c1	ZINC000053324088	395880528	/nfs/dbraw/zinc/88/05/28/395880528.db2.gz	DNGUOQWUVUEHJC-GFCCVEGCSA-N	0	0	307.306	0.711	10	5		DCBERN
C[C@@H]1C(=O)NCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000248888751	395999658	/nfs/dbraw/zinc/99/96/58/395999658.db2.gz	ANNOYOFYBLLIPE-DGCLKSJQSA-N	0	0	323.349	0.545	10	5		DCBERN
C[C@H](CO)[C@H](C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000151175384	395981266	/nfs/dbraw/zinc/98/12/66/395981266.db2.gz	FWSBPTXIGRCVJZ-ZJUUUORDSA-N	0	0	309.322	0.458	10	5		DCBERN
COc1cc(C(=O)NC[C@@H]2CN(C)CCO2)ccc1[N+](=O)[O-]	ZINC000171286887	396112795	/nfs/dbraw/zinc/11/27/95/396112795.db2.gz	DWHIXNSXKJFYMF-LLVKDONJSA-N	0	0	309.322	0.664	10	5		DCBERN
CN1CCO[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1	ZINC000171288776	396113081	/nfs/dbraw/zinc/11/30/81/396113081.db2.gz	LWGJXAOXGVAMCC-ZDUSSCGKSA-N	0	0	309.322	0.420	10	5		DCBERN
O=C(NC[C@H](O)CN1CCOCC1)c1ccc([N+](=O)[O-])s1	ZINC000176438868	396155754	/nfs/dbraw/zinc/15/57/54/396155754.db2.gz	RTNAQRKCCBACSP-VIFPVBQESA-N	0	0	315.351	0.079	10	5		DCBERN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c1	ZINC000185924351	396337189	/nfs/dbraw/zinc/33/71/89/396337189.db2.gz	DEMOROVFCCUNOR-LLVKDONJSA-N	0	0	323.334	1.000	10	5		DCBERN
C[C@]1(C(N)=O)CCCCN1CCn1cc([N+](=O)[O-])ccc1=O	ZINC000185973986	396338590	/nfs/dbraw/zinc/33/85/90/396338590.db2.gz	BMNJTGPWHZBJTA-CQSZACIVSA-N	0	0	308.338	0.486	10	5		DCBERN
Cc1cc(N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)n[nH]1	ZINC000187266067	396365630	/nfs/dbraw/zinc/36/56/30/396365630.db2.gz	RQVGBURMFGBIGU-UHFFFAOYSA-N	0	0	305.342	0.645	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CCO)[C@@H](C)C1	ZINC000188786333	396386498	/nfs/dbraw/zinc/38/64/98/396386498.db2.gz	FSIPKXKSPPDZTL-NSHDSACASA-N	0	0	323.349	0.742	10	5		DCBERN
CCN1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1=O	ZINC000189774806	396398870	/nfs/dbraw/zinc/39/88/70/396398870.db2.gz	IRRFZZXDMMQXSR-UHFFFAOYSA-N	0	0	306.322	0.969	10	5		DCBERN
C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000190992336	396413722	/nfs/dbraw/zinc/41/37/22/396413722.db2.gz	ZIJDIPCNKZZHOO-SECBINFHSA-N	0	0	313.335	0.494	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCNC(=O)[C@@H]2C(C)C)n1	ZINC000191800327	396425051	/nfs/dbraw/zinc/42/50/51/396425051.db2.gz	CJKDISCUHSMOQX-NSHDSACASA-N	0	0	309.326	0.408	10	5		DCBERN
NS(=O)(=O)C[C@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-]	ZINC000611398650	396861410	/nfs/dbraw/zinc/86/14/10/396861410.db2.gz	YRMPAIGLMXOXCA-SECBINFHSA-N	0	0	303.315	0.991	10	5		DCBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](S(N)(=O)=O)C2)n1	ZINC000611616426	396895913	/nfs/dbraw/zinc/89/59/13/396895913.db2.gz	NLJORAOHYWXFEJ-VIFPVBQESA-N	0	0	300.340	0.474	10	5		DCBERN
CCN1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000619797809	397193500	/nfs/dbraw/zinc/19/35/00/397193500.db2.gz	QOQDLNKMESUPAK-LLVKDONJSA-N	0	0	313.335	0.494	10	5		DCBERN
COC[C@](C)(CO)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000613534965	397276432	/nfs/dbraw/zinc/27/64/32/397276432.db2.gz	YZDCWAPNBRCICC-ZDUSSCGKSA-N	0	0	308.294	0.598	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000112661006	158143521	/nfs/dbraw/zinc/14/35/21/158143521.db2.gz	RBZGZRCLZKBZNL-SECBINFHSA-N	0	0	302.294	0.635	10	5		DCBERN
C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1N1CCOCC1	ZINC000408038343	160019287	/nfs/dbraw/zinc/01/92/87/160019287.db2.gz	KQSPTMOORVEXRQ-MNOVXSKESA-N	0	0	323.353	0.121	10	5		DCBERN
Nc1c(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-]	ZINC000408267998	160072556	/nfs/dbraw/zinc/07/25/56/160072556.db2.gz	IANKCQFRZYHWAI-OAHLLOKOSA-N	0	0	318.333	0.919	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1	ZINC000152506833	287042095	/nfs/dbraw/zinc/04/20/95/287042095.db2.gz	DDZPVOUBTGQQQD-CMPLNLGQSA-N	0	0	307.306	0.666	10	5		DCBERN
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CCS1(=O)=O	ZINC000121792345	415815994	/nfs/dbraw/zinc/81/59/94/415815994.db2.gz	AABALDAOHACRQP-SSDOTTSWSA-N	0	0	304.349	0.915	10	5		DCBERN
CC(C)(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O	ZINC000296535657	415933982	/nfs/dbraw/zinc/93/39/82/415933982.db2.gz	DPUBFBGVFBONTK-UHFFFAOYSA-N	0	0	300.292	0.510	10	5		DCBERN
CNC(=O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000178927617	416177823	/nfs/dbraw/zinc/17/78/23/416177823.db2.gz	ANUVRQIZNFJOOH-LLVKDONJSA-N	0	0	315.351	0.644	10	5		DCBERN
CCN(CCO)c1nc(N(CC)CCO)c([N+](=O)[O-])s1	ZINC000178227773	416158643	/nfs/dbraw/zinc/15/86/43/416158643.db2.gz	XLSWJWGGNOYAMX-UHFFFAOYSA-N	0	0	304.372	0.689	10	5		DCBERN
Cc1cc(C(=O)NCC(=O)N[C@H]2CCCOC2)ccc1[N+](=O)[O-]	ZINC000183432957	416242136	/nfs/dbraw/zinc/24/21/36/416242136.db2.gz	XVXAQDYQFTUBMW-LBPRGKRZSA-N	0	0	321.333	0.928	10	5		DCBERN
CNC(=O)[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C	ZINC000183637408	416249128	/nfs/dbraw/zinc/24/91/28/416249128.db2.gz	YBLBUISHPLNTAU-GFCCVEGCSA-N	0	0	308.338	0.554	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C)C(=O)C2(C)C)n1	ZINC000191664426	416288333	/nfs/dbraw/zinc/28/83/33/416288333.db2.gz	VTJBTZYANAUWFF-UHFFFAOYSA-N	0	0	309.326	0.504	10	5		DCBERN
NS(=O)(=O)c1cc(NC[C@H](O)C(F)F)cc([N+](=O)[O-])c1	ZINC000435583573	416526160	/nfs/dbraw/zinc/52/61/60/416526160.db2.gz	HFJCWBMQDOCRTD-QMMMGPOBSA-N	0	0	311.266	0.280	10	5		DCBERN
Cc1cc(C[C@@H](C)NC(=O)c2ccnc(N)c2[N+](=O)[O-])[nH]n1	ZINC000548713173	416691809	/nfs/dbraw/zinc/69/18/09/416691809.db2.gz	DRFCIQGZDOMZKP-SSDOTTSWSA-N	0	0	304.310	0.965	10	5		DCBERN
O=C1CC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CN1	ZINC000443781145	416780349	/nfs/dbraw/zinc/78/03/49/416780349.db2.gz	UUDFNSLJABLMFJ-SNVBAGLBSA-N	0	0	313.335	0.293	10	5		DCBERN
NC(=O)c1ccc(N2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000371803502	416923296	/nfs/dbraw/zinc/92/32/96/416923296.db2.gz	QBHOXLDABLXPAI-NSHDSACASA-N	0	0	306.322	0.215	10	5		DCBERN
COCCO[C@H]1C[C@@H](CO)CN(c2ccc([N+](=O)[O-])nc2)C1	ZINC000447672695	417017521	/nfs/dbraw/zinc/01/75/21/417017521.db2.gz	QZIUWHZKXULVPP-YPMHNXCESA-N	0	0	311.338	0.840	10	5		DCBERN
C[C@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)[C@@H](O)[C@H](O)[C@H]1O	ZINC000616589258	417081728	/nfs/dbraw/zinc/08/17/28/417081728.db2.gz	QURSGHQPKUXLAD-DOJIIDBOSA-N	0	0	319.697	0.455	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCOC3)C2)n1	ZINC000617385313	417211904	/nfs/dbraw/zinc/21/19/04/417211904.db2.gz	FCUPMSCHTMDLDT-CYBMUJFWSA-N	0	0	310.310	0.443	10	5		DCBERN
CC(=O)N1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1	ZINC000527264779	417232114	/nfs/dbraw/zinc/23/21/14/417232114.db2.gz	LXBUHHMSPXDGLQ-LLVKDONJSA-N	0	0	306.322	0.978	10	5		DCBERN
CC(C)[C@H](CO)[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(C)C	ZINC000456179248	417628188	/nfs/dbraw/zinc/62/81/88/417628188.db2.gz	NMNOZNLHWIRTKA-JQWIXIFHSA-N	0	0	313.358	0.592	10	5		DCBERN
CO[C@](C)(CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1	ZINC000456120466	417627750	/nfs/dbraw/zinc/62/77/50/417627750.db2.gz	GEJDRMSZGRAOTC-CQSZACIVSA-N	0	0	319.321	0.864	10	5		DCBERN
CN(Cc1nnnn1C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000532068505	417656228	/nfs/dbraw/zinc/65/62/28/417656228.db2.gz	GMXSFBZPWRLOSZ-UHFFFAOYSA-N	0	0	320.265	0.119	10	5		DCBERN
CO[C@@H]1C[C@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)C12CCC2	ZINC000456664310	417661708	/nfs/dbraw/zinc/66/17/08/417661708.db2.gz	WDJNKPCKSMCRQL-VHSXEESVSA-N	0	0	309.326	0.602	10	5		DCBERN
C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N1CCCCC1=O	ZINC000357686904	261571524	/nfs/dbraw/zinc/57/15/24/261571524.db2.gz	GMMTXBOHOIVTNL-SECBINFHSA-N	0	0	321.337	0.902	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1nc2ccc(F)cn2n1	ZINC000443918636	271723646	/nfs/dbraw/zinc/72/36/46/271723646.db2.gz	GQDFUVCZGJQJDN-UHFFFAOYSA-N	0	0	306.217	0.007	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2C(=O)OC)n1	ZINC000191493475	288710724	/nfs/dbraw/zinc/71/07/24/288710724.db2.gz	JCBUGGWKEWHIDG-VIFPVBQESA-N	0	0	310.310	0.979	10	5		DCBERN
COC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)C(F)(F)F)c1=O	ZINC000158311508	521918814	/nfs/dbraw/zinc/91/88/14/521918814.db2.gz	GSTBZKAERZEYBV-ZETCQYMHSA-N	0	0	310.184	0.466	10	5		DCBERN
CN1CCO[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1	ZINC000130280406	523936942	/nfs/dbraw/zinc/93/69/42/523936942.db2.gz	BLVVDHHNXMFINF-AWEZNQCLSA-N	0	0	307.350	0.974	10	5		DCBERN
COc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)CO)cc1[N+](=O)[O-]	ZINC000158784835	525073391	/nfs/dbraw/zinc/07/33/91/525073391.db2.gz	SBXRQLGFNHWQAF-DTWKUNHWSA-N	0	0	318.351	0.899	10	5		DCBERN
CC[S@@](=O)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000733967811	666833174	/nfs/dbraw/zinc/83/31/74/666833174.db2.gz	YUPLXWWFLLZECL-JOCHJYFZSA-N	0	0	324.362	0.829	10	5		DCBERN
CC[S@](=O)CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O	ZINC000735076280	666942690	/nfs/dbraw/zinc/94/26/90/666942690.db2.gz	XSGIJCBLWMCBEV-IBGZPJMESA-N	0	0	321.380	0.423	10	5		DCBERN
Cc1cnn(C[C@H]2CN(Cn3nccc3[N+](=O)[O-])CCO2)c1	ZINC000112071312	670538541	/nfs/dbraw/zinc/53/85/41/670538541.db2.gz	WOMGITMTOGWMEP-GFCCVEGCSA-N	0	0	306.326	0.655	10	5		DCBERN
C[C@H]1CCCN(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)C1	ZINC000152821778	237012886	/nfs/dbraw/zinc/01/28/86/237012886.db2.gz	RMZYZDLQDKRNFC-JTQLQIEISA-N	0	0	317.371	0.358	10	5		DCBERN
CCC(CC)(CC(=O)OC)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000487434758	241081228	/nfs/dbraw/zinc/08/12/28/241081228.db2.gz	CSWLGGDXAOIQGX-UHFFFAOYSA-N	0	0	313.314	0.424	10	5		DCBERN
CCc1nn(C)c(N2CC[C@H](NS(C)(=O)=O)C2)c1[N+](=O)[O-]	ZINC000288281119	220061107	/nfs/dbraw/zinc/06/11/07/220061107.db2.gz	BDKAPQCSWQXCOE-QMMMGPOBSA-N	0	0	317.371	0.019	10	5		DCBERN
O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[C@@](O)(C(F)(F)F)C1	ZINC000185717383	296283482	/nfs/dbraw/zinc/28/34/82/296283482.db2.gz	LBYFKHCOIWOTJC-JTQLQIEISA-N	0	0	321.211	0.835	10	5		DCBERN
Cn1nccc1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000184182735	252612686	/nfs/dbraw/zinc/61/26/86/252612686.db2.gz	BNIYUWIVWNSLKO-UHFFFAOYSA-N	0	0	310.335	0.948	10	5		DCBERN
O=C(N[C@H]1CCC(=O)NC1=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000089753872	395714297	/nfs/dbraw/zinc/71/42/97/395714297.db2.gz	COGWTIQJWAXAKW-VIFPVBQESA-N	0	0	311.681	0.783	10	5		DCBERN
O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC1CC(O)C1	ZINC000091525822	395725966	/nfs/dbraw/zinc/72/59/66/395725966.db2.gz	GBRRTTJDILGASP-UHFFFAOYSA-N	0	0	300.336	0.785	10	5		DCBERN
COC(=O)[C@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000108258452	395786769	/nfs/dbraw/zinc/78/67/69/395786769.db2.gz	GZUNCLZNJRRFAI-VIFPVBQESA-N	0	0	314.319	0.778	10	5		DCBERN
C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1N1CCOCC1	ZINC000122652732	395887971	/nfs/dbraw/zinc/88/79/71/395887971.db2.gz	GAKJVVXZZYATBM-ONGXEEELSA-N	0	0	309.326	0.111	10	5		DCBERN
C[C@@H](O)CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21	ZINC000136027309	395943907	/nfs/dbraw/zinc/94/39/07/395943907.db2.gz	KNYRCHLVMWHSFR-MRVPVSSYSA-N	0	0	305.290	0.937	10	5		DCBERN
Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O	ZINC000150736372	395972083	/nfs/dbraw/zinc/97/20/83/395972083.db2.gz	KIUZDXPBNOHUPC-UHFFFAOYSA-N	0	0	304.262	0.245	10	5		DCBERN
O=C1[C@H](N2C[C@@H](O)C[C@@H]2CO)CCN1c1cccc([N+](=O)[O-])c1	ZINC000249278935	396005501	/nfs/dbraw/zinc/00/55/01/396005501.db2.gz	FOJXZIVPHOUHME-HZSPNIEDSA-N	0	0	321.333	0.128	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N(C1CC1)[C@H]1CC(=O)NC1=O	ZINC000171031445	396103794	/nfs/dbraw/zinc/10/37/94/396103794.db2.gz	VDQNECAISHXVJF-LBPRGKRZSA-N	0	0	317.301	0.923	10	5		DCBERN
CN1CCO[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1	ZINC000171288771	396113088	/nfs/dbraw/zinc/11/30/88/396113088.db2.gz	LWGJXAOXGVAMCC-CYBMUJFWSA-N	0	0	309.322	0.420	10	5		DCBERN
NCc1nc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)no1	ZINC000262295954	396119966	/nfs/dbraw/zinc/11/99/66/396119966.db2.gz	WTFDVQYPPLWGAG-UHFFFAOYSA-N	0	0	318.337	0.759	10	5		DCBERN
C[C@@H](C(=O)N[C@@H]1CCC(=O)NC1=O)c1ccc([N+](=O)[O-])cc1F	ZINC000183384127	396268843	/nfs/dbraw/zinc/26/88/43/396268843.db2.gz	CBHKRAAWSYDAIQ-RDDDGLTNSA-N	0	0	323.280	0.759	10	5		DCBERN
Cc1cc(C(=O)NCC(=O)N[C@@H](C)[C@@H](C)CO)ccc1[N+](=O)[O-]	ZINC000183971232	396279005	/nfs/dbraw/zinc/27/90/05/396279005.db2.gz	OXWFVBRQZKSQKY-QWRGUYRKSA-N	0	0	323.349	0.766	10	5		DCBERN
COc1cc(N2CCC[C@](O)(C(N)=O)C2)c(F)cc1[N+](=O)[O-]	ZINC000284749328	396346315	/nfs/dbraw/zinc/34/63/15/396346315.db2.gz	XJMKSMDOUWIAON-CYBMUJFWSA-N	0	0	313.285	0.559	10	5		DCBERN
COCC(=O)NC1CN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1	ZINC000186318004	396347603	/nfs/dbraw/zinc/34/76/03/396347603.db2.gz	WVOCWVASEYVETN-UHFFFAOYSA-N	0	0	307.306	0.490	10	5		DCBERN
CN1C(=O)N[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])CC[C@@H]21	ZINC000286209703	396380951	/nfs/dbraw/zinc/38/09/51/396380951.db2.gz	JNKPJBAENWWBBO-PWSUYJOCSA-N	0	0	304.306	0.833	10	5		DCBERN
C[C@H]1C(=O)NCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000190992661	396413636	/nfs/dbraw/zinc/41/36/36/396413636.db2.gz	LLSGQXPINFLTPY-VIFPVBQESA-N	0	0	313.335	0.494	10	5		DCBERN
CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@@]2(CCOC2)C1	ZINC000302227535	396718891	/nfs/dbraw/zinc/71/88/91/396718891.db2.gz	USSFIXQCMYBVJZ-HNNXBMFYSA-N	0	0	321.333	0.950	10	5		DCBERN
C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CCN1S(C)(=O)=O	ZINC000596478178	396783619	/nfs/dbraw/zinc/78/36/19/396783619.db2.gz	JQPHOLPYQMZRFX-SECBINFHSA-N	0	0	300.340	0.460	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ccc([N+](=O)[O-])cc1F	ZINC000596436857	396777265	/nfs/dbraw/zinc/77/72/65/396777265.db2.gz	UEVDUMUJDYXBIL-MNOVXSKESA-N	0	0	304.299	0.958	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1c(Cl)cncc1[N+](=O)[O-]	ZINC000596437693	396777362	/nfs/dbraw/zinc/77/73/62/396777362.db2.gz	XXHKHCAGAWVPMF-CBAPKCEASA-N	0	0	321.742	0.289	10	5		DCBERN
Cc1nnc(CN2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)[nH]1	ZINC000611431105	396866066	/nfs/dbraw/zinc/86/60/66/396866066.db2.gz	QEXXBAIQNXUCSC-UHFFFAOYSA-N	0	0	320.357	0.036	10	5		DCBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](NS(C)(=O)=O)C2)n1	ZINC000611616464	396896197	/nfs/dbraw/zinc/89/61/97/396896197.db2.gz	RSKPFFZRTWOSDG-JTQLQIEISA-N	0	0	314.367	0.735	10	5		DCBERN
CCN1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2NC)C1=O	ZINC000619825739	397197841	/nfs/dbraw/zinc/19/78/41/397197841.db2.gz	ZWIPSFYXFULCCO-JTQLQIEISA-N	0	0	306.322	0.987	10	5		DCBERN
O=C(NCCCN1CCCS1(=O)=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000608778441	397755686	/nfs/dbraw/zinc/75/56/86/397755686.db2.gz	DJGZAJIYLIRWRC-UHFFFAOYSA-N	0	0	316.339	0.078	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1OCCc2ccccc21	ZINC000609580718	397783318	/nfs/dbraw/zinc/78/33/18/397783318.db2.gz	OXXYTUMZUIHUHV-GFCCVEGCSA-N	0	0	317.305	0.617	10	5		DCBERN
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCNC(=O)CC1	ZINC000054257954	158019543	/nfs/dbraw/zinc/01/95/43/158019543.db2.gz	SLBIXODLHUCBIP-SNVBAGLBSA-N	0	0	306.322	0.744	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)CO)CC1	ZINC000089548307	158098077	/nfs/dbraw/zinc/09/80/77/158098077.db2.gz	HCXAWCKGVDYLFW-UHFFFAOYSA-N	0	0	307.306	0.180	10	5		DCBERN
Cc1cnn(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000118133548	158175977	/nfs/dbraw/zinc/17/59/77/158175977.db2.gz	PRLRFBZRVBBYQL-UHFFFAOYSA-N	0	0	317.305	0.855	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCO	ZINC000123632083	158233017	/nfs/dbraw/zinc/23/30/17/158233017.db2.gz	MNUKDSYUUSAUAY-QMMMGPOBSA-N	0	0	304.324	0.653	10	5		DCBERN
CCOC(=O)CN(C)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-]	ZINC000138087905	158346329	/nfs/dbraw/zinc/34/63/29/158346329.db2.gz	JVAQLMBGDJRTJI-UHFFFAOYSA-N	0	0	316.335	0.998	10	5		DCBERN
CCc1nc2n(n1)C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)CC2	ZINC000172258161	158393038	/nfs/dbraw/zinc/39/30/38/158393038.db2.gz	MPUFXGJVRAVDIM-VIFPVBQESA-N	0	0	319.325	0.076	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H]2CCC[C@@H](C1)C2O	ZINC000172352060	158393812	/nfs/dbraw/zinc/39/38/12/158393812.db2.gz	VWLMVRAGMWHSKG-BVUQATHDSA-N	0	0	308.338	0.719	10	5		DCBERN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(c2cccs2)C(=O)C1	ZINC000186239748	158529029	/nfs/dbraw/zinc/52/90/29/158529029.db2.gz	XWJCOSUABFOWPA-UHFFFAOYSA-N	0	0	321.318	0.868	10	5		DCBERN
O=C(N1CCCC1)[C@@]1(O)CCCN(c2ccc([N+](=O)[O-])cn2)C1	ZINC000408035648	160018913	/nfs/dbraw/zinc/01/89/13/160018913.db2.gz	MFAZANULYZPARB-OAHLLOKOSA-N	0	0	320.349	0.944	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)n1	ZINC000408326623	160085581	/nfs/dbraw/zinc/08/55/81/160085581.db2.gz	NYAHJYSTQDBJRM-QMTHXVAHSA-N	0	0	324.337	0.831	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000408350027	160089252	/nfs/dbraw/zinc/08/92/52/160089252.db2.gz	NSCZVWXXJCIEIY-GWCFXTLKSA-N	0	0	309.326	0.340	10	5		DCBERN
COc1ccc([N+](=O)[O-])c(C(=O)N2CCN3CCOC[C@@H]3C2)c1	ZINC000375888933	287228629	/nfs/dbraw/zinc/22/86/29/287228629.db2.gz	GNLZQMWTFBUZKN-NSHDSACASA-N	0	0	321.333	0.760	10	5		DCBERN
O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2ncnn2C1	ZINC000112654245	415711697	/nfs/dbraw/zinc/71/16/97/415711697.db2.gz	OFLPGPXDDGBYRO-SNVBAGLBSA-N	0	0	316.321	0.729	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]1CO	ZINC000120920344	415784659	/nfs/dbraw/zinc/78/46/59/415784659.db2.gz	DTQQGGXGFNTHHT-NSHDSACASA-N	0	0	307.306	0.825	10	5		DCBERN
COC[C@@H](O)CN(C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-]	ZINC000301133052	416076703	/nfs/dbraw/zinc/07/67/03/416076703.db2.gz	XSIPCPFSQWMLEQ-QMMMGPOBSA-N	0	0	308.294	0.687	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)[C@H](C)CO	ZINC000158776396	416003058	/nfs/dbraw/zinc/00/30/58/416003058.db2.gz	KMXCGFQYQHQWDZ-RKDXNWHRSA-N	0	0	318.351	0.899	10	5		DCBERN
CN1CCO[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1	ZINC000170683847	416028759	/nfs/dbraw/zinc/02/87/59/416028759.db2.gz	SGYVGYCRHNIUDS-VIFPVBQESA-N	0	0	312.301	0.377	10	5		DCBERN
COC(=O)c1cc(C)nc(NC[C@H](CO)C2CC2)c1[N+](=O)[O-]	ZINC000357775335	416131234	/nfs/dbraw/zinc/13/12/34/416131234.db2.gz	OSEBJZFQKBMVNY-SNVBAGLBSA-N	0	0	309.322	1.515	10	5		DCBERN
CCNC(=O)C1CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1	ZINC000178127401	416158184	/nfs/dbraw/zinc/15/81/84/416158184.db2.gz	HCEUNPAHUXKLCM-UHFFFAOYSA-N	0	0	307.306	0.812	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C(=O)OC)C2)n1	ZINC000191592864	416286033	/nfs/dbraw/zinc/28/60/33/416286033.db2.gz	TXMDTYCGZBOUSS-VIFPVBQESA-N	0	0	310.310	0.836	10	5		DCBERN
CNc1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1[N+](=O)[O-]	ZINC000542672483	416628713	/nfs/dbraw/zinc/62/87/13/416628713.db2.gz	PCVKEUCLGRATBV-LBPRGKRZSA-N	0	0	320.349	0.793	10	5		DCBERN
CO[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1O	ZINC000451945643	417420960	/nfs/dbraw/zinc/42/09/60/417420960.db2.gz	JNKMXDXWEYMXQM-VXGBXAGGSA-N	0	0	316.335	0.116	10	5		DCBERN
CNc1ccc(C(=O)N(C)Cc2nnnn2C)cc1[N+](=O)[O-]	ZINC000532331522	417673529	/nfs/dbraw/zinc/67/35/29/417673529.db2.gz	MUTOLYGOIXMYGG-UHFFFAOYSA-N	0	0	305.298	0.432	10	5		DCBERN
CC(C)[C@H]1OCCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000488057022	287545199	/nfs/dbraw/zinc/54/51/99/287545199.db2.gz	LRIPYESHQVXTFI-ZYHUDNBSSA-N	0	0	311.342	0.754	10	5		DCBERN
NC(=O)c1coc(CNC(=O)COc2cccc([N+](=O)[O-])c2)c1	ZINC000186668226	261120861	/nfs/dbraw/zinc/12/08/61/261120861.db2.gz	WZLRGUBTKNOPGK-UHFFFAOYSA-N	0	0	319.273	0.982	10	5		DCBERN
COc1cc(CN(C)Cc2nnnn2C)c([N+](=O)[O-])cc1F	ZINC000362317427	262021618	/nfs/dbraw/zinc/02/16/18/262021618.db2.gz	JLQLGKBNBBRYCD-UHFFFAOYSA-N	0	0	310.289	0.898	10	5		DCBERN
C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC2(CCOCC2)O1	ZINC000548731991	288171770	/nfs/dbraw/zinc/17/17/70/288171770.db2.gz	HZVOMKHIAUUIDX-JTQLQIEISA-N	0	0	324.337	0.738	10	5		DCBERN
CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](O)CN1CCOCC1	ZINC000195337232	281668549	/nfs/dbraw/zinc/66/85/49/281668549.db2.gz	ILBRFZYTCFTYME-NSHDSACASA-N	0	0	313.358	0.225	10	5		DCBERN
CN1CCO[C@@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]21	ZINC000366452698	290095755	/nfs/dbraw/zinc/09/57/55/290095755.db2.gz	MNTSOXWMDSEAQU-NWDGAFQWSA-N	0	0	306.322	0.332	10	5		DCBERN
CN1CCO[C@@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@H]21	ZINC000408150567	290095800	/nfs/dbraw/zinc/09/58/00/290095800.db2.gz	MNTSOXWMDSEAQU-VXGBXAGGSA-N	0	0	306.322	0.332	10	5		DCBERN
C[C@H]1C[C@H](O)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000401582851	300526419	/nfs/dbraw/zinc/52/64/19/300526419.db2.gz	LBTSMCIRIZVIGN-UWVGGRQHSA-N	0	0	300.336	0.986	10	5		DCBERN
CN(C[C@@H]1CCCO1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000170692028	523047757	/nfs/dbraw/zinc/04/77/57/523047757.db2.gz	CUZZRJDISRMONU-ZDUSSCGKSA-N	0	0	321.333	0.962	10	5		DCBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1=O	ZINC000155831676	525572940	/nfs/dbraw/zinc/57/29/40/525572940.db2.gz	HDPFQQQMVDQTHQ-GHMZBOCLSA-N	0	0	309.322	0.701	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC(NC(=O)C2CCC2)C1	ZINC000188498220	527086381	/nfs/dbraw/zinc/08/63/81/527086381.db2.gz	ZAROYZRKXGPMRL-UHFFFAOYSA-N	0	0	321.337	0.227	10	5		DCBERN
COc1c(C)cnc(COC(=O)Cn2cnc([N+](=O)[O-])n2)c1C	ZINC000736793662	665425664	/nfs/dbraw/zinc/42/56/64/665425664.db2.gz	LFUQTFDRWJTNRS-UHFFFAOYSA-N	0	0	321.293	0.950	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)OCc1cnc2ccccc2n1	ZINC000726341535	661656380	/nfs/dbraw/zinc/65/63/80/661656380.db2.gz	JIFUFLITFDDXPW-UHFFFAOYSA-N	0	0	314.261	0.873	10	5		DCBERN
COc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)O)c([N+](=O)[O-])c1	ZINC000344920372	663080860	/nfs/dbraw/zinc/08/08/60/663080860.db2.gz	PLQONIQZNPAFTJ-SFYZADRCSA-N	0	0	304.324	0.651	10	5		DCBERN
Cc1cc(C)n(C[C@@H]2CN(Cn3nccc3[N+](=O)[O-])CCO2)n1	ZINC000152877293	664778017	/nfs/dbraw/zinc/77/80/17/664778017.db2.gz	LKHYCQDITDREKE-ZDUSSCGKSA-N	0	0	320.353	0.963	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)OCCCCCn1cccn1	ZINC000733455766	666745151	/nfs/dbraw/zinc/74/51/51/666745151.db2.gz	FQXWOJXFTDBXGM-UHFFFAOYSA-N	0	0	308.298	0.797	10	5		DCBERN
CC[S@](=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000733898972	666824498	/nfs/dbraw/zinc/82/44/98/666824498.db2.gz	AOKDZLBJFMTTAI-SFHVURJKSA-N	0	0	306.365	0.642	10	5		DCBERN
CCNC(=O)c1ccc(OC(=O)Cn2cnc([N+](=O)[O-])n2)cc1	ZINC000734779109	666911798	/nfs/dbraw/zinc/91/17/98/666911798.db2.gz	PEECUWFKESKGFQ-UHFFFAOYSA-N	0	0	319.277	0.542	10	5		DCBERN
CC[S@](=O)CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1	ZINC000735075923	666942660	/nfs/dbraw/zinc/94/26/60/666942660.db2.gz	QBZWUGAWQBBXML-IBGZPJMESA-N	0	0	321.380	0.423	10	5		DCBERN
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc[nH]1	ZINC000130077419	669583568	/nfs/dbraw/zinc/58/35/68/669583568.db2.gz	RKKGWUGKDJIBQM-CHWSQXEVSA-N	0	0	305.290	0.747	10	5		DCBERN
NC(=O)[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000158880493	669929874	/nfs/dbraw/zinc/92/98/74/669929874.db2.gz	JGKLMEHUFYXXTO-SNVBAGLBSA-N	0	0	313.697	0.575	10	5		DCBERN
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1csc([N+](=O)[O-])c1	ZINC000168944867	1157768396	/nfs/dbraw/zinc/76/83/96/1157768396.db2.gz	ZSMQYDMXHKWWEH-SFYZADRCSA-N	0	0	300.292	0.405	10	5		DCBERN
COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000168823484	1158800853	/nfs/dbraw/zinc/80/08/53/1158800853.db2.gz	YADLCSKDIPIJHD-RNFRBKRXSA-N	0	0	300.292	0.405	10	5		DCBERN
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@H](CO)[C@H](O)C1	ZINC000317723326	1190423261	/nfs/dbraw/zinc/42/32/61/1190423261.db2.gz	UWTMCQVWSWDKSO-RDDDGLTNSA-N	0	0	300.698	0.673	10	5		DCBERN
CCS(=O)(=O)N(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1F	ZINC000175589796	773839829	/nfs/dbraw/zinc/83/98/29/773839829.db2.gz	NKIISYKSOGFOOE-UHFFFAOYSA-N	0	0	319.314	0.954	10	5		DCBERN
CCn1c(C)nc([N+](=O)[O-])c1NCC1(S(N)(=O)=O)CC1	ZINC000714020854	941409475	/nfs/dbraw/zinc/40/94/75/941409475.db2.gz	IBHHXKHYUKYVKH-UHFFFAOYSA-N	0	0	303.344	0.353	10	5		DCBERN
O=C(N[C@H]1CCS(=O)(=O)C1)c1c(F)cccc1[N+](=O)[O-]	ZINC000714040674	941409973	/nfs/dbraw/zinc/40/99/73/941409973.db2.gz	HMHVKORHPCGHIM-ZETCQYMHSA-N	0	0	302.283	0.651	10	5		DCBERN
CNS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000188990001	530017604	/nfs/dbraw/zinc/01/76/04/530017604.db2.gz	MSGJJTKZSBAFME-UHFFFAOYSA-N	0	0	307.353	0.244	10	5		DCBERN
Nn1ccc2c(cnc3ccn(-c4ccccn4)c(=O)c32)c1=O	ZINC000072452825	191171727	/nfs/dbraw/zinc/17/17/27/191171727.db2.gz	FCBOAMVIWDDCQJ-UHFFFAOYSA-N	0	0	305.297	0.809	10	5		DCBERN
COc1ccc(OCCN2CCNC(=O)CC2)c([N+](=O)[O-])c1	ZINC000173657519	198237154	/nfs/dbraw/zinc/23/71/54/198237154.db2.gz	XPIUIZMLDQSCIR-UHFFFAOYSA-N	0	0	309.322	0.804	10	5		DCBERN
C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCC(C(N)=O)CC1	ZINC000002791240	180957970	/nfs/dbraw/zinc/95/79/70/180957970.db2.gz	DTYJDRMTVOIRQB-VIFPVBQESA-N	0	0	309.326	0.151	10	5		DCBERN
CN1CCO[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000074773784	191358082	/nfs/dbraw/zinc/35/80/82/191358082.db2.gz	XLKDXILUOAUWJQ-LLVKDONJSA-N	0	0	315.351	0.204	10	5		DCBERN
COCCc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)n(C)n1	ZINC000156687374	291225576	/nfs/dbraw/zinc/22/55/76/291225576.db2.gz	YAZGDQUKESZJAJ-UHFFFAOYSA-N	0	0	322.325	0.743	10	5		DCBERN
Cc1ccc(F)c(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)c1	ZINC000456305310	240900044	/nfs/dbraw/zinc/90/00/44/240900044.db2.gz	LHXZUTPCTBWZAN-UHFFFAOYSA-N	0	0	307.285	0.993	10	5		DCBERN
CC(=O)CCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000282534136	217069257	/nfs/dbraw/zinc/06/92/57/217069257.db2.gz	QLMZJIFLJBIBNM-TZMCWYRMSA-N	0	0	310.306	0.475	10	5		DCBERN
O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@H]2C(=O)N1OCc1ccc([N+](=O)[O-])cc1	ZINC000018068268	182092152	/nfs/dbraw/zinc/09/21/52/182092152.db2.gz	DXDZEWCKZWYYFF-MPZDIEGVSA-N	0	0	316.269	0.965	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNCC1	ZINC000021057077	182263758	/nfs/dbraw/zinc/26/37/58/182263758.db2.gz	VCUOUKZUNPEMRI-UHFFFAOYSA-N	0	0	301.324	0.197	10	5		DCBERN
O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1N1CCCC1	ZINC000040609314	183109134	/nfs/dbraw/zinc/10/91/34/183109134.db2.gz	UJEIHZAJMRWWOA-UHFFFAOYSA-N	0	0	322.369	0.729	10	5		DCBERN
CN1CCO[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1	ZINC000104785568	194039997	/nfs/dbraw/zinc/03/99/97/194039997.db2.gz	SXFWLOPZRHBVRI-ZDUSSCGKSA-N	0	0	308.338	0.725	10	5		DCBERN
C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)S(N)(=O)=O	ZINC000350620610	254319774	/nfs/dbraw/zinc/31/97/74/254319774.db2.gz	NZWCZYYILUSRSA-ZCFIWIBFSA-N	0	0	321.742	0.655	10	5		DCBERN
Cc1ccnc(N2CC[C@@H](NS(C)(=O)=O)C2)c1[N+](=O)[O-]	ZINC000116873109	395847815	/nfs/dbraw/zinc/84/78/15/395847815.db2.gz	FPMROARYTAFEMN-SECBINFHSA-N	0	0	300.340	0.426	10	5		DCBERN
CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000055247086	395914875	/nfs/dbraw/zinc/91/48/75/395914875.db2.gz	KVOHKTWTNSHLBC-LLVKDONJSA-N	0	0	313.335	0.494	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)CC1	ZINC000070271737	396100271	/nfs/dbraw/zinc/10/02/71/396100271.db2.gz	GMVMELIFFSYGAX-UHFFFAOYSA-N	0	0	315.351	0.540	10	5		DCBERN
COc1cc(C(=O)NC[C@H]2CN(C)CCO2)ccc1[N+](=O)[O-]	ZINC000171286891	396112697	/nfs/dbraw/zinc/11/26/97/396112697.db2.gz	DWHIXNSXKJFYMF-NSHDSACASA-N	0	0	309.322	0.664	10	5		DCBERN
CO[C@@H]1C[C@H](c2nc(C)no2)N(c2ncc([N+](=O)[O-])c(N)n2)C1	ZINC000277594759	396076506	/nfs/dbraw/zinc/07/65/06/396076506.db2.gz	RNLXRRZDYKXXMN-HTQZYQBOSA-N	0	0	321.297	0.625	10	5		DCBERN
C[C@H](C(=O)N[C@@H]1CCC(=O)NC1=O)c1ccc([N+](=O)[O-])cc1F	ZINC000183384108	396269210	/nfs/dbraw/zinc/26/92/10/396269210.db2.gz	CBHKRAAWSYDAIQ-WRWORJQWSA-N	0	0	323.280	0.759	10	5		DCBERN
CC[C@H](CO)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1	ZINC000184512709	396297426	/nfs/dbraw/zinc/29/74/26/396297426.db2.gz	RREKKSFALGIFRA-LLVKDONJSA-N	0	0	322.365	0.706	10	5		DCBERN
C[C@H]1C(=O)NCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000189291003	396392852	/nfs/dbraw/zinc/39/28/52/396392852.db2.gz	ANNOYOFYBLLIPE-AAEUAGOBSA-N	0	0	323.349	0.545	10	5		DCBERN
Nc1c(C(=O)N2CCN3CCOC[C@@H]3C2)cc(F)cc1[N+](=O)[O-]	ZINC000371870955	396479234	/nfs/dbraw/zinc/47/92/34/396479234.db2.gz	VXYODEUHKQOPEZ-JTQLQIEISA-N	0	0	324.312	0.473	10	5		DCBERN
CO[C@](C)(CO)CNc1c(Br)cncc1[N+](=O)[O-]	ZINC000594590166	396489332	/nfs/dbraw/zinc/48/93/32/396489332.db2.gz	VKIPBJVZWUEXDL-JTQLQIEISA-N	0	0	320.143	0.984	10	5		DCBERN
COc1cc(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)ccc1O	ZINC000610889345	396778062	/nfs/dbraw/zinc/77/80/62/396778062.db2.gz	LQXHMFMJXVERRO-UHFFFAOYSA-N	0	0	321.293	0.259	10	5		DCBERN
CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCCc2c1cnn2C	ZINC000610976903	396796378	/nfs/dbraw/zinc/79/63/78/396796378.db2.gz	FCAUBANMLPTFNZ-SNVBAGLBSA-N	0	0	319.325	0.456	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)NCCCN2CCCCCC2=O)n1	ZINC000611215358	396835234	/nfs/dbraw/zinc/83/52/34/396835234.db2.gz	IXWCMZNSVXPUMK-UHFFFAOYSA-N	0	0	323.353	0.851	10	5		DCBERN
COCCN1C(=O)N[C@H]2CN(c3ccc([N+](=O)[O-])cn3)CC[C@H]21	ZINC000599086663	397332271	/nfs/dbraw/zinc/33/22/71/397332271.db2.gz	RNEIJPHWSXECHV-NWDGAFQWSA-N	0	0	321.337	0.609	10	5		DCBERN
C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C(F)(F)F)O1	ZINC000610398708	397818007	/nfs/dbraw/zinc/81/80/07/397818007.db2.gz	MZERLZYXECWVSD-RNFRBKRXSA-N	0	0	323.231	0.365	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCN2CCOCC2)s1	ZINC000066327149	158036589	/nfs/dbraw/zinc/03/65/89/158036589.db2.gz	KKWRBZOPGZURFH-UHFFFAOYSA-N	0	0	321.380	0.267	10	5		DCBERN
NC(=O)[C@H]1COCCN1CCCOc1ccc([N+](=O)[O-])cc1	ZINC000092228688	158112040	/nfs/dbraw/zinc/11/20/40/158112040.db2.gz	CXKZCKMIZGRPPK-CYBMUJFWSA-N	0	0	309.322	0.550	10	5		DCBERN
CN1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1=O	ZINC000125414119	158255026	/nfs/dbraw/zinc/25/50/26/158255026.db2.gz	WYJRWZQBSFRVJD-UHFFFAOYSA-N	0	0	313.335	0.277	10	5		DCBERN
Cn1cnc([N+](=O)[O-])c1CN1CCOCC2(CCOCC2)C1	ZINC000408182218	160054691	/nfs/dbraw/zinc/05/46/91/160054691.db2.gz	IWEZLASRAWGZAL-UHFFFAOYSA-N	0	0	310.354	0.957	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)n1	ZINC000408370448	160094084	/nfs/dbraw/zinc/09/40/84/160094084.db2.gz	LBPDPZUKDHFJFQ-IUCAKERBSA-N	0	0	314.367	0.793	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(=O)NCC(F)(F)F	ZINC000057007050	286899167	/nfs/dbraw/zinc/89/91/67/286899167.db2.gz	POPJMRJWCYKXDC-UHFFFAOYSA-N	0	0	320.227	0.707	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)s1	ZINC000124607076	286964149	/nfs/dbraw/zinc/96/41/49/286964149.db2.gz	JDZPCPVPBUXVPM-JGVFFNPUSA-N	0	0	304.349	0.872	10	5		DCBERN
NC(=O)[C@@H]1COCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1	ZINC000255563158	287125608	/nfs/dbraw/zinc/12/56/08/287125608.db2.gz	CFSPDSYXWKHYDK-RYBZSIHZSA-N	0	0	305.290	0.321	10	5		DCBERN
Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1[N+](=O)[O-]	ZINC000266161059	287129775	/nfs/dbraw/zinc/12/97/75/287129775.db2.gz	ITKBYEMCKITHPR-GXSJLCMTSA-N	0	0	323.353	0.419	10	5		DCBERN
C[C@]1(O)CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1	ZINC000301899141	416095988	/nfs/dbraw/zinc/09/59/88/416095988.db2.gz	XNYQLYJVVPTFIN-LBPRGKRZSA-N	0	0	300.336	0.959	10	5		DCBERN
CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000177562045	416147874	/nfs/dbraw/zinc/14/78/74/416147874.db2.gz	FRBOQFLZMVUHEL-ZETCQYMHSA-N	0	0	321.380	0.659	10	5		DCBERN
CN(CC(=O)N1CC(n2ccnn2)C1)c1ccccc1[N+](=O)[O-]	ZINC000361922279	416524173	/nfs/dbraw/zinc/52/41/73/416524173.db2.gz	LKLGYEYEUKUYCC-UHFFFAOYSA-N	0	0	316.321	0.706	10	5		DCBERN
NC(=O)c1ccc(N2CCN3CCOC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000371803501	416922807	/nfs/dbraw/zinc/92/28/07/416922807.db2.gz	QBHOXLDABLXPAI-LLVKDONJSA-N	0	0	306.322	0.215	10	5		DCBERN
CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1ccc([N+](=O)[O-])nc1	ZINC000450482675	417233935	/nfs/dbraw/zinc/23/39/35/417233935.db2.gz	HLWWWORHAUINME-RKDXNWHRSA-N	0	0	310.310	0.858	10	5		DCBERN
CC(C)[C@@H](CO)[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(C)C	ZINC000456179250	417631371	/nfs/dbraw/zinc/63/13/71/417631371.db2.gz	NMNOZNLHWIRTKA-ZYHUDNBSSA-N	0	0	313.358	0.592	10	5		DCBERN
CCOC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC12COC2	ZINC000452620918	287483114	/nfs/dbraw/zinc/48/31/14/287483114.db2.gz	ZRVHTWBFWISWGG-SECBINFHSA-N	0	0	324.289	0.840	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(NC[C@]3(CCO)CCOC3)nn21	ZINC000301953549	230001769	/nfs/dbraw/zinc/00/17/69/230001769.db2.gz	JUODCCNAFCFJAM-ZDUSSCGKSA-N	0	0	307.310	0.839	10	5		DCBERN
CO[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1C	ZINC000188052717	261125973	/nfs/dbraw/zinc/12/59/73/261125973.db2.gz	DRMLUIWYAXFQLT-ZYHUDNBSSA-N	0	0	309.322	0.640	10	5		DCBERN
O=C([C@H]1CNC(=O)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000194805482	261148910	/nfs/dbraw/zinc/14/89/10/261148910.db2.gz	APKBKOGFMRTPHH-LLVKDONJSA-N	0	0	318.333	0.380	10	5		DCBERN
CN1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1=O	ZINC000360463991	261834568	/nfs/dbraw/zinc/83/45/68/261834568.db2.gz	AYLLTGFBBXWCNS-UHFFFAOYSA-N	0	0	312.713	0.918	10	5		DCBERN
O=C(COc1cccc([N+](=O)[O-])c1)N1CCN2CCOC[C@H]2C1	ZINC000363853963	262134018	/nfs/dbraw/zinc/13/40/18/262134018.db2.gz	LHYBARQULWCVON-CYBMUJFWSA-N	0	0	321.333	0.517	10	5		DCBERN
O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN2CCOC[C@@H]2C1	ZINC000363858472	262135237	/nfs/dbraw/zinc/13/52/37/262135237.db2.gz	DRKZXBFBUJPLLN-ZDUSSCGKSA-N	0	0	321.333	0.517	10	5		DCBERN
CS(=O)(=O)c1ccc(N2C[C@@H](F)C[C@@H]2CO)c([N+](=O)[O-])c1	ZINC000443999397	271726133	/nfs/dbraw/zinc/72/61/33/271726133.db2.gz	SVGXNWSTKWDHMM-DTWKUNHWSA-N	0	0	318.326	0.907	10	5		DCBERN
COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(CCO)CC2)c1	ZINC000302072284	274004380	/nfs/dbraw/zinc/00/43/80/274004380.db2.gz	FMJFDVCOZGENGV-UHFFFAOYSA-N	0	0	309.322	0.496	10	5		DCBERN
Cc1sc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-]	ZINC000150735216	279283514	/nfs/dbraw/zinc/28/35/14/279283514.db2.gz	FLXXJZDKGINXLE-UHFFFAOYSA-N	0	0	324.318	0.614	10	5		DCBERN
C[C@H]1C[C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC(=O)N1	ZINC000408201792	279982193	/nfs/dbraw/zinc/98/21/93/279982193.db2.gz	KBHRVDNYNXIURN-UWVGGRQHSA-N	0	0	318.333	0.789	10	5		DCBERN
CC(=O)N1CC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000552352811	288273433	/nfs/dbraw/zinc/27/34/33/288273433.db2.gz	URIQJCBKAZTNOK-LBPRGKRZSA-N	0	0	321.333	0.958	10	5		DCBERN
NC(=O)[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000158166509	295120209	/nfs/dbraw/zinc/12/02/09/295120209.db2.gz	NTIHSCTXAXROQH-JTQLQIEISA-N	0	0	313.697	0.575	10	5		DCBERN
NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000180267237	303307652	/nfs/dbraw/zinc/30/76/52/303307652.db2.gz	IEAKGHFBUSQJAE-JTQLQIEISA-N	0	0	313.697	0.575	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)CN1CCOCC1	ZINC000128059897	526074392	/nfs/dbraw/zinc/07/43/92/526074392.db2.gz	BDISTTXHLFTERU-CYBMUJFWSA-N	0	0	323.349	0.326	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)cc1	ZINC000113299146	527377282	/nfs/dbraw/zinc/37/72/82/527377282.db2.gz	JJGFCTKWKIICJA-VIFPVBQESA-N	0	0	323.334	0.480	10	5		DCBERN
O=[N+]([O-])c1ccccc1OCCN1CCN2CCOC[C@@H]2C1	ZINC000368823869	527403863	/nfs/dbraw/zinc/40/38/63/527403863.db2.gz	JTSAKAOYPDEGCO-ZDUSSCGKSA-N	0	0	307.350	0.990	10	5		DCBERN
CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000729338865	662789034	/nfs/dbraw/zinc/78/90/34/662789034.db2.gz	QKEZDRCRRJUEHL-SNVBAGLBSA-N	0	0	321.341	0.614	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]c3c2CC[NH2+]C3)cc1	ZINC000170270505	664575409	/nfs/dbraw/zinc/57/54/09/664575409.db2.gz	XCXPWKNOJWDVLD-UHFFFAOYSA-N	0	0	323.334	0.764	10	5		DCBERN
C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000063768579	664634776	/nfs/dbraw/zinc/63/47/76/664634776.db2.gz	SHFYELWAEBJBCS-WCBMZHEXSA-N	0	0	306.322	0.903	10	5		DCBERN
CC[S@](=O)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C	ZINC000733882867	666823698	/nfs/dbraw/zinc/82/36/98/666823698.db2.gz	QQWDPBPHYUMZMR-FQEVSTJZSA-N	0	0	302.356	0.375	10	5		DCBERN
CC[S@](=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000733899518	666824578	/nfs/dbraw/zinc/82/45/78/666824578.db2.gz	IXRKOXXRXSLKAE-IBGZPJMESA-N	0	0	320.392	0.950	10	5		DCBERN
CC[S@@](=O)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000733900516	666824977	/nfs/dbraw/zinc/82/49/77/666824977.db2.gz	ZXMFNBMLHWBWIZ-LJQANCHMSA-N	0	0	320.392	0.783	10	5		DCBERN
CC[S@](=O)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000735202383	666968272	/nfs/dbraw/zinc/96/82/72/666968272.db2.gz	VCYQQIVLVBOJQP-NRFANRHFSA-N	0	0	313.335	0.418	10	5		DCBERN
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc(C(N)=O)cn1C	ZINC000120546439	667323983	/nfs/dbraw/zinc/32/39/83/667323983.db2.gz	GECDZWVFVRESEJ-UHFFFAOYSA-N	0	0	321.293	0.394	10	5		DCBERN
C[C@@H](O)CCN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O	ZINC000122827339	667688478	/nfs/dbraw/zinc/68/84/78/667688478.db2.gz	JGOZNDLYPVWGGX-SSDOTTSWSA-N	0	0	300.292	0.510	10	5		DCBERN
O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1C[C@H](CO)[C@H](O)C1	ZINC000317650910	1190423159	/nfs/dbraw/zinc/42/31/59/1190423159.db2.gz	LPIMPWRSASKDCK-LDYMZIIASA-N	0	0	300.698	0.673	10	5		DCBERN
C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCO1	ZINC000262182850	282360378	/nfs/dbraw/zinc/36/03/78/282360378.db2.gz	XAABUXMQONOKRF-LLVKDONJSA-N	0	0	324.337	0.399	10	5		DCBERN
Cn1cc([C@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)cn1	ZINC000171350313	197922086	/nfs/dbraw/zinc/92/20/86/197922086.db2.gz	LWWJGRDSUUQDOH-GFCCVEGCSA-N	0	0	304.310	0.889	10	5		DCBERN
Cc1cc(S(=O)(=O)N2CCNC(=O)CC2)ccc1[N+](=O)[O-]	ZINC000172020398	198028089	/nfs/dbraw/zinc/02/80/89/198028089.db2.gz	QRIJEUBRODQRNL-UHFFFAOYSA-N	0	0	313.335	0.414	10	5		DCBERN
CNC(=O)[C@@H]1CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC000172964371	198170986	/nfs/dbraw/zinc/17/09/86/198170986.db2.gz	HRECOMXIBJUIEB-ZDUSSCGKSA-N	0	0	320.349	0.768	10	5		DCBERN
Cc1sc(C(=O)NCCNC(=O)c2ccn[nH]2)cc1[N+](=O)[O-]	ZINC000180901987	199225729	/nfs/dbraw/zinc/22/57/29/199225729.db2.gz	VXGVMYWQUITSGX-UHFFFAOYSA-N	0	0	323.334	0.848	10	5		DCBERN
O=C(N[C@@H]1CCCn2ncnc21)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000193682439	284049854	/nfs/dbraw/zinc/04/98/54/284049854.db2.gz	RCTDQCCYKHEPSR-MRVPVSSYSA-N	0	0	304.266	0.552	10	5		DCBERN
CC(=O)CCCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000275119309	212132714	/nfs/dbraw/zinc/13/27/14/212132714.db2.gz	ZIVWTAADFPFLDN-UKRRQHHQSA-N	0	0	324.333	0.865	10	5		DCBERN
CN(CC(N)=O)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000037246980	182875906	/nfs/dbraw/zinc/87/59/06/182875906.db2.gz	NKDYSVPJSRQBCI-UHFFFAOYSA-N	0	0	307.715	0.354	10	5		DCBERN
O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H]1CCCOC1	ZINC000171694214	252593869	/nfs/dbraw/zinc/59/38/69/252593869.db2.gz	ZFWQTWRFQXEPDX-VIFPVBQESA-N	0	0	321.289	0.798	10	5		DCBERN
Cc1ccc(C(=O)NC[C@@H](C)S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000350618279	254319403	/nfs/dbraw/zinc/31/94/03/254319403.db2.gz	CNNQLCJKRRWPLZ-MRVPVSSYSA-N	0	0	301.324	0.310	10	5		DCBERN
O=c1ccc([N+](=O)[O-])cn1CCN1CCO[C@@]2(CCOC2)C1	ZINC000185193098	285221437	/nfs/dbraw/zinc/22/14/37/285221437.db2.gz	YYCMXNXMSNAWCF-AWEZNQCLSA-N	0	0	309.322	0.248	10	5		DCBERN
O=C(N[C@H]1CCC(=O)NC1=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000089753866	395714540	/nfs/dbraw/zinc/71/45/40/395714540.db2.gz	FQZHFGTUWWZAKU-QMMMGPOBSA-N	0	0	311.681	0.783	10	5		DCBERN
C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@@H]1O	ZINC000092977406	395735061	/nfs/dbraw/zinc/73/50/61/395735061.db2.gz	IFQFIQZZNQBXCQ-KCJUWKMLSA-N	0	0	315.351	0.449	10	5		DCBERN
Cn1cc([C@@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)cn1	ZINC000116112129	395842210	/nfs/dbraw/zinc/84/22/10/395842210.db2.gz	VGDKLKLEEFIDCE-LLVKDONJSA-N	0	0	318.337	0.931	10	5		DCBERN
CC1(C)C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000117920594	395855893	/nfs/dbraw/zinc/85/58/93/395855893.db2.gz	XRXHZTAVCXYROX-UHFFFAOYSA-N	0	0	319.364	0.555	10	5		DCBERN
CNC(=O)[C@@H]1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000172005508	396128871	/nfs/dbraw/zinc/12/88/71/396128871.db2.gz	FCGNCGPOKYKNSC-NSHDSACASA-N	0	0	317.305	0.822	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCCc1ccccn1	ZINC000178832884	396210815	/nfs/dbraw/zinc/21/08/15/396210815.db2.gz	YZYAFHYEIKEGIB-UHFFFAOYSA-N	0	0	316.317	0.901	10	5		DCBERN
C[C@@H](O)CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	ZINC000183171215	396263762	/nfs/dbraw/zinc/26/37/62/396263762.db2.gz	JCDHDSXZWVVLLR-NOZJJQNGSA-N	0	0	307.306	0.975	10	5		DCBERN
Cc1ccnc(N2CCCN(CC(=O)N(C)C)CC2)c1[N+](=O)[O-]	ZINC000080947145	396289144	/nfs/dbraw/zinc/28/91/44/396289144.db2.gz	DUADWCBXOARVIB-UHFFFAOYSA-N	0	0	321.381	0.899	10	5		DCBERN
COC(=O)[C@@]1(C)CCCN1CCn1cc([N+](=O)[O-])ccc1=O	ZINC000186367741	396348922	/nfs/dbraw/zinc/34/89/22/396348922.db2.gz	UQZYCQVQDIZBMZ-CQSZACIVSA-N	0	0	309.322	0.784	10	5		DCBERN
CCN1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1=O	ZINC000190572926	396408516	/nfs/dbraw/zinc/40/85/16/396408516.db2.gz	CMCQFBSEDJNVIR-UHFFFAOYSA-N	0	0	306.322	0.679	10	5		DCBERN
COc1cc(C(=O)N2CCCN(C)C(=O)C2)ccc1[N+](=O)[O-]	ZINC000190632596	396409038	/nfs/dbraw/zinc/40/90/38/396409038.db2.gz	OLBKJAPFYHZRLI-UHFFFAOYSA-N	0	0	307.306	0.908	10	5		DCBERN
C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000190992649	396413955	/nfs/dbraw/zinc/41/39/55/396413955.db2.gz	LLSGQXPINFLTPY-SECBINFHSA-N	0	0	313.335	0.494	10	5		DCBERN
CCN1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O	ZINC000191565204	396421562	/nfs/dbraw/zinc/42/15/62/396421562.db2.gz	GRFVQZWDUJLDFK-LLVKDONJSA-N	0	0	309.322	0.456	10	5		DCBERN
Nc1c(C(=O)N2CCN3CCOC[C@H]3C2)cc(F)cc1[N+](=O)[O-]	ZINC000371870956	396479443	/nfs/dbraw/zinc/47/94/43/396479443.db2.gz	VXYODEUHKQOPEZ-SNVBAGLBSA-N	0	0	324.312	0.473	10	5		DCBERN
CCNC(=O)CN(C)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-]	ZINC000587353221	396671273	/nfs/dbraw/zinc/67/12/73/396671273.db2.gz	YAHCRUSWECQUPY-UHFFFAOYSA-N	0	0	310.310	0.657	10	5		DCBERN
CCN(CC(=O)N(C)C)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-]	ZINC000587990443	396674149	/nfs/dbraw/zinc/67/41/49/396674149.db2.gz	HJYXEGNJITUQOF-UHFFFAOYSA-N	0	0	324.337	0.999	10	5		DCBERN
Cc1ccc(S(=O)(=O)NCc2cn(C)nn2)cc1[N+](=O)[O-]	ZINC000611934985	396951766	/nfs/dbraw/zinc/95/17/66/396951766.db2.gz	JPBOPFALPDSLQB-UHFFFAOYSA-N	0	0	311.323	0.510	10	5		DCBERN
CCN1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000619802426	397195183	/nfs/dbraw/zinc/19/51/83/397195183.db2.gz	COUSNNXJRCXIKX-GFCCVEGCSA-N	0	0	307.306	0.711	10	5		DCBERN
CCN1CC[C@@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1=O	ZINC000619802965	397196551	/nfs/dbraw/zinc/19/65/51/397196551.db2.gz	SQNAEYPGWFSSJN-LLVKDONJSA-N	0	0	323.353	0.535	10	5		DCBERN
CCN1CC[C@@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1=O	ZINC000619824900	397197732	/nfs/dbraw/zinc/19/77/32/397197732.db2.gz	BWPKGJJUNGRDMU-MRVPVSSYSA-N	0	0	309.326	0.792	10	5		DCBERN
COC[C@](C)(CO)NC(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC000613534580	397274481	/nfs/dbraw/zinc/27/44/81/397274481.db2.gz	NIPVKWUOEVDNGH-AWEZNQCLSA-N	0	0	311.338	0.545	10	5		DCBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCOC[C@@H]1O	ZINC000599493294	397457797	/nfs/dbraw/zinc/45/77/97/397457797.db2.gz	MVGFELYWWHYHHK-WPRPVWTQSA-N	0	0	302.308	0.023	10	5		DCBERN
C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C(F)(F)F)O1	ZINC000610398709	397818250	/nfs/dbraw/zinc/81/82/50/397818250.db2.gz	MZERLZYXECWVSD-RQJHMYQMSA-N	0	0	323.231	0.365	10	5		DCBERN
COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)OC	ZINC000065008434	158033341	/nfs/dbraw/zinc/03/33/41/158033341.db2.gz	UIJQIGSBSJAQQZ-NSHDSACASA-N	0	0	324.289	0.738	10	5		DCBERN
CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC000064240255	158033348	/nfs/dbraw/zinc/03/33/48/158033348.db2.gz	HGCRSLLQFREQTE-UHFFFAOYSA-N	0	0	305.381	0.983	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C	ZINC000068575609	158042948	/nfs/dbraw/zinc/04/29/48/158042948.db2.gz	YOZUMKLGZJIVRO-ONGXEEELSA-N	0	0	323.353	0.602	10	5		DCBERN
Cc1nnc2n1CCN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2	ZINC000074816039	158060961	/nfs/dbraw/zinc/06/09/61/158060961.db2.gz	IQTSAWPQRPUYRE-UHFFFAOYSA-N	0	0	323.334	0.699	10	5		DCBERN
COCC(=O)N(C)CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C	ZINC000122907871	158225309	/nfs/dbraw/zinc/22/53/09/158225309.db2.gz	BSLBGTZGUQYQNG-JTQLQIEISA-N	0	0	321.333	0.977	10	5		DCBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000127802121	158275936	/nfs/dbraw/zinc/27/59/36/158275936.db2.gz	RDLMWKATPKTSEJ-BXUZGUMPSA-N	0	0	308.338	0.945	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000408350030	160089696	/nfs/dbraw/zinc/08/96/96/160089696.db2.gz	NSCZVWXXJCIEIY-ZWNOBZJWSA-N	0	0	309.326	0.340	10	5		DCBERN
O=C([C@H]1CCCC(=O)N1)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000408427949	160105900	/nfs/dbraw/zinc/10/59/00/160105900.db2.gz	ALQISYBHQSABBP-GFCCVEGCSA-N	0	0	304.306	0.543	10	5		DCBERN
CC[C@@H]1COCCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000301325823	287239687	/nfs/dbraw/zinc/23/96/87/287239687.db2.gz	YQVWYBUFUUZXOP-SECBINFHSA-N	0	0	315.351	0.857	10	5		DCBERN
CC(C)CN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1=O	ZINC000275868706	415385401	/nfs/dbraw/zinc/38/54/01/415385401.db2.gz	VBDBCDOFPRKSAO-UHFFFAOYSA-N	0	0	321.337	0.393	10	5		DCBERN
O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]CC1CC[NH2+]CC1	ZINC000095091869	415549997	/nfs/dbraw/zinc/54/99/97/415549997.db2.gz	OZQFDZKMPHWDGD-UHFFFAOYSA-N	0	0	300.340	0.268	10	5		DCBERN
O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCc2ncnn2C1	ZINC000112656208	415713579	/nfs/dbraw/zinc/71/35/79/415713579.db2.gz	ATLZAAOTVWCQFX-JTQLQIEISA-N	0	0	317.305	0.696	10	5		DCBERN
O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCc2ncnn2C1	ZINC000133341804	415943994	/nfs/dbraw/zinc/94/39/94/415943994.db2.gz	AMLWFNFUAJCGGA-MRVPVSSYSA-N	0	0	303.282	0.718	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@@H]1c1nc[nH]n1	ZINC000181400171	416206031	/nfs/dbraw/zinc/20/60/31/416206031.db2.gz	WKSOAMRGAIVSIJ-SNVBAGLBSA-N	0	0	305.298	0.663	10	5		DCBERN
COc1cccc(C(=O)NC[C@@H]2CN(C)CCO2)c1[N+](=O)[O-]	ZINC000192467655	416305800	/nfs/dbraw/zinc/30/58/00/416305800.db2.gz	HUOYEBZVHQPQCG-SNVBAGLBSA-N	0	0	309.322	0.664	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C(=O)OC)C2)n1	ZINC000191592877	416285989	/nfs/dbraw/zinc/28/59/89/416285989.db2.gz	TXMDTYCGZBOUSS-SECBINFHSA-N	0	0	310.310	0.836	10	5		DCBERN
C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N(C)C	ZINC000360054538	416369051	/nfs/dbraw/zinc/36/90/51/416369051.db2.gz	NDJSTWWKVHJKIN-SECBINFHSA-N	0	0	315.351	0.491	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(N[C@@H](CO)C3CCOCC3)nn21	ZINC000360264405	416382682	/nfs/dbraw/zinc/38/26/82/416382682.db2.gz	DCXSRMDNIZQTAI-JTQLQIEISA-N	0	0	307.310	0.837	10	5		DCBERN
COC(=O)[C@@H](C)N(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CCC1	ZINC000360414356	416389236	/nfs/dbraw/zinc/38/92/36/416389236.db2.gz	PRSRRBNEVHTZCZ-MRVPVSSYSA-N	0	0	311.298	0.129	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)NCc1nc2cc(F)ccc2[nH]1	ZINC000361129350	416422420	/nfs/dbraw/zinc/42/24/20/416422420.db2.gz	ORJKCCGCUQONJJ-UHFFFAOYSA-N	0	0	319.256	0.518	10	5		DCBERN
O=C(NCCNc1cc[nH+]cc1)c1cccc([N+](=O)[O-])c1[O-]	ZINC000436776713	416569759	/nfs/dbraw/zinc/56/97/59/416569759.db2.gz	WVVKANCTAZLLHA-UHFFFAOYSA-N	0	0	302.290	0.959	10	5		DCBERN
CCc1nc(C(C)(C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)no1	ZINC000441256166	416668774	/nfs/dbraw/zinc/66/87/74/416668774.db2.gz	MRBXQFMQHCTQMX-SNVBAGLBSA-N	0	0	324.341	0.623	10	5		DCBERN
Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN2CCOC[C@H]2C1	ZINC000369389939	416768223	/nfs/dbraw/zinc/76/82/23/416768223.db2.gz	UVBIYBVCTZLOKR-SNVBAGLBSA-N	0	0	306.322	0.334	10	5		DCBERN
Cc1c(CNC(=O)N(C)Cc2nnnn2C)cccc1[N+](=O)[O-]	ZINC000359544440	261753944	/nfs/dbraw/zinc/75/39/44/261753944.db2.gz	PGQCQPIDCLVPCE-UHFFFAOYSA-N	0	0	319.325	0.768	10	5		DCBERN
COc1ccccc1[C@H](CO)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000537784253	287872641	/nfs/dbraw/zinc/87/26/41/287872641.db2.gz	ODSLXGFTJOKGAJ-JTQLQIEISA-N	0	0	321.293	0.045	10	5		DCBERN
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1N1CCOCC1	ZINC000408233493	278411176	/nfs/dbraw/zinc/41/11/76/278411176.db2.gz	VDRRZIPYMHSOPS-GWCFXTLKSA-N	0	0	308.338	0.716	10	5		DCBERN
CN1CCO[C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]21	ZINC000286250265	290112403	/nfs/dbraw/zinc/11/24/03/290112403.db2.gz	DZQGWZNMNNLVPF-STQMWFEESA-N	0	0	320.349	0.722	10	5		DCBERN
CN1CCO[C@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@H]21	ZINC000408150559	290119121	/nfs/dbraw/zinc/11/91/21/290119121.db2.gz	MNTSOXWMDSEAQU-NEPJUHHUSA-N	0	0	306.322	0.332	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1	ZINC000172444746	341798986	/nfs/dbraw/zinc/79/89/86/341798986.db2.gz	IXFPXZBFWIDHEE-WDEREUQCSA-N	0	0	323.353	0.650	10	5		DCBERN
CC(=O)NC1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1	ZINC000191495434	519648730	/nfs/dbraw/zinc/64/87/30/519648730.db2.gz	LWASIRSQGRHJPH-UHFFFAOYSA-N	0	0	303.278	0.432	10	5		DCBERN
CCOC(=O)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C	ZINC000193837579	520724423	/nfs/dbraw/zinc/72/44/23/520724423.db2.gz	WPZFAXNZZBBAEP-UHFFFAOYSA-N	0	0	312.326	0.982	10	5		DCBERN
CC(=O)N1CSC[C@@H]1C(=O)N(C)c1ccc([N+](=O)[O-])nc1	ZINC000330812409	526677680	/nfs/dbraw/zinc/67/76/80/526677680.db2.gz	BZALYZPYNKRHRT-SNVBAGLBSA-N	0	0	310.335	0.874	10	5		DCBERN
NC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)C2CCCCC2)c1=O	ZINC000191286826	527034498	/nfs/dbraw/zinc/03/44/98/527034498.db2.gz	RQXUUFAFGCAOMM-LBPRGKRZSA-N	0	0	309.322	0.797	10	5		DCBERN
NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC(=O)N(C2CC2)C1	ZINC000267766103	527035133	/nfs/dbraw/zinc/03/51/33/527035133.db2.gz	ZIRUHEVZNSKKDF-ZETCQYMHSA-N	0	0	305.294	0.264	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCc2ncnn2C1	ZINC000112648183	527090593	/nfs/dbraw/zinc/09/05/93/527090593.db2.gz	PDLJTWRIQNAPTD-JTQLQIEISA-N	0	0	319.325	0.213	10	5		DCBERN
O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H]1CO	ZINC000168564146	657932163	/nfs/dbraw/zinc/93/21/63/657932163.db2.gz	DBBLRMKTNPHZNH-NSHDSACASA-N	0	0	312.347	0.907	10	5		DCBERN
NCC(F)(F)CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000162695487	659448468	/nfs/dbraw/zinc/44/84/68/659448468.db2.gz	GNPSOGBMCHZCIR-UHFFFAOYSA-N	0	0	302.237	0.932	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)OCc1ccc2c(c1)CCO2	ZINC000728779899	662418338	/nfs/dbraw/zinc/41/83/38/662418338.db2.gz	SESVPBRHEQOLOI-UHFFFAOYSA-N	0	0	304.262	0.865	10	5		DCBERN
COC(=O)Cc1cccc(OC(=O)Cn2cnc([N+](=O)[O-])n2)c1	ZINC000731554135	664870691	/nfs/dbraw/zinc/87/06/91/664870691.db2.gz	HQZKGHCNCNULIW-UHFFFAOYSA-N	0	0	320.261	0.507	10	5		DCBERN
CCS(=O)(=O)CCN(C)C(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000089370946	685094356	/nfs/dbraw/zinc/09/43/56/685094356.db2.gz	LFGYIWAZEIVDFR-UHFFFAOYSA-N	0	0	315.351	0.805	10	5		DCBERN
CNC(=O)[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(C)C	ZINC000178588645	529898244	/nfs/dbraw/zinc/89/82/44/529898244.db2.gz	TWENWKRMGYNLMY-NSHDSACASA-N	0	0	312.301	0.817	10	5		DCBERN
CN(CC(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccccc1[N+](=O)[O-]	ZINC000080400244	192154736	/nfs/dbraw/zinc/15/47/36/192154736.db2.gz	DEGZKLCKJVHFHS-LLVKDONJSA-N	0	0	320.349	0.768	10	5		DCBERN
Cc1cnn(C[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCO2)c1	ZINC000174850925	198393025	/nfs/dbraw/zinc/39/30/25/198393025.db2.gz	FVNFJFNBJNHOMQ-AWEZNQCLSA-N	0	0	320.353	0.697	10	5		DCBERN
CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000174939365	198404540	/nfs/dbraw/zinc/40/45/40/198404540.db2.gz	CYPPTVPJBBKVJE-SNVBAGLBSA-N	0	0	324.337	0.982	10	5		DCBERN
C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N1CCOCC1	ZINC000180642168	199189795	/nfs/dbraw/zinc/18/97/95/199189795.db2.gz	ZMHVCWFWJFDPFX-SNVBAGLBSA-N	0	0	308.338	0.628	10	5		DCBERN
CN1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1=O	ZINC000160087498	291237509	/nfs/dbraw/zinc/23/75/09/291237509.db2.gz	OMEJIXDJLWCUMV-ZETCQYMHSA-N	0	0	319.364	0.555	10	5		DCBERN
C[C@H](C(=O)N1CC[C@@H](NC(N)=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000567175703	291341398	/nfs/dbraw/zinc/34/13/98/291341398.db2.gz	LTFCDPRIMBMDIV-GXSJLCMTSA-N	0	0	306.322	0.968	10	5		DCBERN
NS(=O)(=O)c1ccc(N[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1	ZINC000275026029	212080548	/nfs/dbraw/zinc/08/05/48/212080548.db2.gz	NCCKUWBSWOYVPE-JQWIXIFHSA-N	0	0	315.351	0.958	10	5		DCBERN
Cc1nn(C)c(C(=O)N(C)CC(=O)NC(C)(C)C)c1[N+](=O)[O-]	ZINC000098097028	193785287	/nfs/dbraw/zinc/78/52/87/193785287.db2.gz	QCKRVZCIIUVTHR-UHFFFAOYSA-N	0	0	311.342	0.623	10	5		DCBERN
O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCc2ncnn2C1	ZINC000112661399	194498135	/nfs/dbraw/zinc/49/81/35/194498135.db2.gz	RSLCNSPGUUBBEH-JTQLQIEISA-N	0	0	317.305	0.696	10	5		DCBERN
CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000055247085	395914837	/nfs/dbraw/zinc/91/48/37/395914837.db2.gz	KVOHKTWTNSHLBC-NSHDSACASA-N	0	0	313.335	0.494	10	5		DCBERN
C[C@H](CCNC(=O)c1cc([N+](=O)[O-])cnc1N)[S@@](C)=O	ZINC000227887946	395870550	/nfs/dbraw/zinc/87/05/50/395870550.db2.gz	YTPOXEFPXLZWCM-JLPJYYFKSA-N	0	0	300.340	0.459	10	5		DCBERN
C[C@H]1C(=O)NCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000248994207	396001297	/nfs/dbraw/zinc/00/12/97/396001297.db2.gz	GKRKMGHEAZSOSV-NWDGAFQWSA-N	0	0	323.349	0.545	10	5		DCBERN
O=[N+]([O-])c1ccn(CCN2CCO[C@H](Cn3cccn3)C2)n1	ZINC000176233982	396152287	/nfs/dbraw/zinc/15/22/87/396152287.db2.gz	HDOIJGWDKKFQFF-LBPRGKRZSA-N	0	0	306.326	0.389	10	5		DCBERN
Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)CO)cc1[N+](=O)[O-]	ZINC000177798804	396183710	/nfs/dbraw/zinc/18/37/10/396183710.db2.gz	MXVHRRVIMOPDEQ-UWVGGRQHSA-N	0	0	309.322	0.975	10	5		DCBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)NC(=O)NC2CCCC2)c1=O	ZINC000178340617	396193857	/nfs/dbraw/zinc/19/38/57/396193857.db2.gz	GVHVSYOZDPLVDF-UHFFFAOYSA-N	0	0	322.321	0.833	10	5		DCBERN
O=C(NC[C@@]1(O)CCOC1)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000178938939	396215198	/nfs/dbraw/zinc/21/51/98/396215198.db2.gz	BQAOLRWOAZVPFT-AWEZNQCLSA-N	0	0	305.290	0.957	10	5		DCBERN
CC(=O)NC[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCO1	ZINC000265517134	396323698	/nfs/dbraw/zinc/32/36/98/396323698.db2.gz	QQWSNABSADVILY-JTQLQIEISA-N	0	0	314.729	0.985	10	5		DCBERN
CN1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O	ZINC000191151255	396415706	/nfs/dbraw/zinc/41/57/06/396415706.db2.gz	YJLIAVAGURKRHC-GFCCVEGCSA-N	0	0	323.349	0.499	10	5		DCBERN
Nc1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1[N+](=O)[O-]	ZINC000371869210	396479081	/nfs/dbraw/zinc/47/90/81/396479081.db2.gz	FBUPMAHUDVBDEX-LLVKDONJSA-N	0	0	306.322	0.334	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl	ZINC000596437346	396777560	/nfs/dbraw/zinc/77/75/60/396777560.db2.gz	VZJJRNZWMIYDMO-RKDXNWHRSA-N	0	0	321.742	0.867	10	5		DCBERN
CC(C)NC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000064244114	158032630	/nfs/dbraw/zinc/03/26/30/158032630.db2.gz	VVFBZXPOCZGFGL-UHFFFAOYSA-N	0	0	307.353	0.459	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CO)C(C)C	ZINC000092407074	158113992	/nfs/dbraw/zinc/11/39/92/158113992.db2.gz	YEQAYVSNOPAUDK-JTQLQIEISA-N	0	0	318.351	0.899	10	5		DCBERN
CCCNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000098117535	158127282	/nfs/dbraw/zinc/12/72/82/158127282.db2.gz	YFXWSGAFDMZUSY-UHFFFAOYSA-N	0	0	307.353	0.461	10	5		DCBERN
CO[C@@H]1CC[C@H]2OCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@@H]2C1	ZINC000120156972	158195246	/nfs/dbraw/zinc/19/52/46/158195246.db2.gz	WXGIHSDPHPKHIQ-IJLUTSLNSA-N	0	0	324.337	0.586	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(n2cncn2)CC1	ZINC000120360784	158198408	/nfs/dbraw/zinc/19/84/08/158198408.db2.gz	WLPGYOJGTOFCSL-UHFFFAOYSA-N	0	0	319.325	0.555	10	5		DCBERN
CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@@H]2C1	ZINC000124347993	158240834	/nfs/dbraw/zinc/24/08/34/158240834.db2.gz	YFXXXXYKBYDQCC-KKZNHRDASA-N	0	0	310.310	0.726	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)CO	ZINC000135525622	158338133	/nfs/dbraw/zinc/33/81/33/158338133.db2.gz	IUEJAJVEVIUMPH-MRVPVSSYSA-N	0	0	304.324	0.605	10	5		DCBERN
CCn1cc(S(=O)(=O)N2CCS[C@@H](C)C2)c([N+](=O)[O-])n1	ZINC000407990885	160004070	/nfs/dbraw/zinc/00/40/70/160004070.db2.gz	QADYYKOYOZVPQK-QMMMGPOBSA-N	0	0	320.396	0.937	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H]2COCC[C@H]21	ZINC000408001055	160008011	/nfs/dbraw/zinc/00/80/11/160008011.db2.gz	MIUZYNAKXHQJGE-WCQYABFASA-N	0	0	321.333	0.784	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2[C@@H]2CCCO2)n1	ZINC000408106004	160037139	/nfs/dbraw/zinc/03/71/39/160037139.db2.gz	RPOBZKNOJJNQKZ-QWRGUYRKSA-N	0	0	310.310	0.348	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1	ZINC000131862206	287002497	/nfs/dbraw/zinc/00/24/97/287002497.db2.gz	PWDPCCPXZYOULO-VHSXEESVSA-N	0	0	309.326	0.260	10	5		DCBERN
C[C@H](O)C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C	ZINC000245604489	287071308	/nfs/dbraw/zinc/07/13/08/287071308.db2.gz	XSZBMBYTCPHEBN-OLZOCXBDSA-N	0	0	324.381	0.143	10	5		DCBERN
O=C([C@@H]1CNC(=O)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000408355297	287233786	/nfs/dbraw/zinc/23/37/86/287233786.db2.gz	RHDQQYNKAHRULM-VIFPVBQESA-N	0	0	307.310	0.091	10	5		DCBERN
COC(=O)C(C)(C)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC000489937397	412045504	/nfs/dbraw/zinc/04/55/04/412045504.db2.gz	NPJQQTJHTSRCGO-UHFFFAOYSA-N	0	0	324.341	0.041	10	5		DCBERN
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CCS1(=O)=O	ZINC000121792524	415816339	/nfs/dbraw/zinc/81/63/39/415816339.db2.gz	AABALDAOHACRQP-ZETCQYMHSA-N	0	0	304.349	0.915	10	5		DCBERN
CC(=O)N(C)c1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000344911431	416007546	/nfs/dbraw/zinc/00/75/46/416007546.db2.gz	UVQMYIPHYYDKLH-UHFFFAOYSA-N	0	0	318.293	0.808	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H](O)C(F)(F)F)n1	ZINC000191883963	416291114	/nfs/dbraw/zinc/29/11/14/416291114.db2.gz	AEYABBXQLUEXLT-SSDOTTSWSA-N	0	0	310.232	0.806	10	5		DCBERN
Cc1ccc(NC(=O)NC[C@H](O)Cn2ccnn2)cc1[N+](=O)[O-]	ZINC000459294885	416531283	/nfs/dbraw/zinc/53/12/83/416531283.db2.gz	LQDXUJJIOIFVMD-NSHDSACASA-N	0	0	320.309	0.677	10	5		DCBERN
COC(=O)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443691396	416775966	/nfs/dbraw/zinc/77/59/66/416775966.db2.gz	HSTGPEAAMZFTPM-UHFFFAOYSA-N	0	0	302.308	0.577	10	5		DCBERN
Nc1c(C(=O)N2C[C@@H]3COC[C@H](C2)O3)cc(F)cc1[N+](=O)[O-]	ZINC000521275285	417001880	/nfs/dbraw/zinc/00/18/80/417001880.db2.gz	ACNXUDVHVJPBJC-DTORHVGOSA-N	0	0	311.269	0.556	10	5		DCBERN
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1ccc([N+](=O)[O-])nc1	ZINC000450482672	417232943	/nfs/dbraw/zinc/23/29/43/417232943.db2.gz	HLWWWORHAUINME-BDAKNGLRSA-N	0	0	310.310	0.858	10	5		DCBERN
CCOC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC12COC2	ZINC000452615264	417492487	/nfs/dbraw/zinc/49/24/87/417492487.db2.gz	QWAFBJDIUSKBQA-SECBINFHSA-N	0	0	323.305	0.575	10	5		DCBERN
COCCNC(=O)Cn1cc(Nc2ccc([N+](=O)[O-])nc2)cn1	ZINC000450353805	287446094	/nfs/dbraw/zinc/44/60/94/287446094.db2.gz	HAXLVUBKEWYXED-UHFFFAOYSA-N	0	0	320.309	0.693	10	5		DCBERN
C/C=C\C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)OCC	ZINC000361547033	261936902	/nfs/dbraw/zinc/93/69/02/261936902.db2.gz	CFGQWQKVBFZOJE-TZGMSPROSA-N	0	0	310.310	0.805	10	5		DCBERN
CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1c([N+](=O)[O-])ncn1C	ZINC000362664544	262058286	/nfs/dbraw/zinc/05/82/86/262058286.db2.gz	MMNSNENNJGMPBV-JGVFFNPUSA-N	0	0	313.314	0.197	10	5		DCBERN
COc1ccc(CC(=O)N2CC[C@H](NC(N)=O)C2)cc1[N+](=O)[O-]	ZINC000535713335	287837368	/nfs/dbraw/zinc/83/73/68/287837368.db2.gz	NDXASTDBFSRIEY-JTQLQIEISA-N	0	0	322.321	0.415	10	5		DCBERN
CNc1ccc(C(=O)N2CC[C@@H](NC(N)=O)C2)cc1[N+](=O)[O-]	ZINC000535713554	287837392	/nfs/dbraw/zinc/83/73/92/287837392.db2.gz	ULPAAGGIURBRCB-SECBINFHSA-N	0	0	307.310	0.519	10	5		DCBERN
CC(C)(C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1)n1cc([N+](=O)[O-])cn1	ZINC000408185076	278270896	/nfs/dbraw/zinc/27/08/96/278270896.db2.gz	AYCQBCOZRNISBL-DLOVCJGASA-N	0	0	308.338	0.756	10	5		DCBERN
Nc1c(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)cccc1[N+](=O)[O-]	ZINC000548389935	288138886	/nfs/dbraw/zinc/13/88/86/288138886.db2.gz	LTVGQCIXOPXDKW-LBPRGKRZSA-N	0	0	319.317	0.997	10	5		DCBERN
Cc1ccnc2c1NC(=O)CN2C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000180857308	292796531	/nfs/dbraw/zinc/79/65/31/292796531.db2.gz	KKBRPMZVHAPVQZ-UHFFFAOYSA-N	0	0	302.250	0.620	10	5		DCBERN
CCCNC(=O)CN(C)C(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000127282753	519873705	/nfs/dbraw/zinc/87/37/05/519873705.db2.gz	VFDANDIXSKTVIS-UHFFFAOYSA-N	0	0	324.337	0.050	10	5		DCBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000190684656	523809054	/nfs/dbraw/zinc/80/90/54/523809054.db2.gz	ZRZQAXJQZVFZFZ-XLDPMVHQSA-N	0	0	308.294	0.732	10	5		DCBERN
Cc1c(CC(=O)NC[C@@H]2CN(C)CCO2)cccc1[N+](=O)[O-]	ZINC000163932261	525694361	/nfs/dbraw/zinc/69/43/61/525694361.db2.gz	ZDJTVPMYWJLCNW-CYBMUJFWSA-N	0	0	307.350	0.893	10	5		DCBERN
O=C(CCn1cc([N+](=O)[O-])cn1)N1CC(NC(=O)C2CCC2)C1	ZINC000188554256	526671943	/nfs/dbraw/zinc/67/19/43/526671943.db2.gz	LMSZVJSWNQQXJU-UHFFFAOYSA-N	0	0	321.337	0.309	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)OCCN1CCSCC1	ZINC000177172472	658710567	/nfs/dbraw/zinc/71/05/67/658710567.db2.gz	XYDSKCQUKCAYIO-UHFFFAOYSA-N	0	0	300.340	0.383	10	5		DCBERN
CC(C)[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)N(C)C	ZINC000729709186	662907573	/nfs/dbraw/zinc/90/75/73/662907573.db2.gz	QMXSIZJXUZQODM-GFCCVEGCSA-N	0	0	312.326	0.837	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H](C)O	ZINC000344893719	663080042	/nfs/dbraw/zinc/08/00/42/663080042.db2.gz	LCPCVAIAXUDZBB-HTQZYQBOSA-N	0	0	304.324	0.651	10	5		DCBERN
Cc1nn(CN2CCS(=O)(=O)C(C)(C)C2)c(C)c1[N+](=O)[O-]	ZINC000151412052	664329901	/nfs/dbraw/zinc/32/99/01/664329901.db2.gz	RAXVGCMTWKOERN-UHFFFAOYSA-N	0	0	316.383	0.875	10	5		DCBERN
C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)N1CCOCC1	ZINC000195156282	665240830	/nfs/dbraw/zinc/24/08/30/665240830.db2.gz	NKCDUZSQRSTZOA-JTQLQIEISA-N	0	0	308.338	0.628	10	5		DCBERN
CC[S@@](=O)CCNC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000733961277	666832311	/nfs/dbraw/zinc/83/23/11/666832311.db2.gz	AKMSGDRDRUYHBS-HXUWFJFHSA-N	0	0	300.336	0.858	10	5		DCBERN
O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccncc1	ZINC000120110806	667259933	/nfs/dbraw/zinc/25/99/33/667259933.db2.gz	JATLYVHHUZOKHB-KBPBESRZSA-N	0	0	317.301	0.814	10	5		DCBERN
CC[C@H](CO)N1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1	ZINC000131245751	669663586	/nfs/dbraw/zinc/66/35/86/669663586.db2.gz	WYLNXAYOSLPEQE-GFCCVEGCSA-N	0	0	322.365	0.706	10	5		DCBERN
O=C(CCN1CCCS1(=O)=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000195006873	1188197367	/nfs/dbraw/zinc/19/73/67/1188197367.db2.gz	SWDFKTOHURSDMR-UHFFFAOYSA-N	0	0	313.335	0.959	10	5		DCBERN
CNC(=O)[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(C)C	ZINC000178585437	529919066	/nfs/dbraw/zinc/91/90/66/529919066.db2.gz	SWKFOQRSHOSWTA-CYBMUJFWSA-N	0	0	308.338	0.894	10	5		DCBERN
CS(=O)(=O)c1ccc(SC[C@H](O)CO)c([N+](=O)[O-])c1	ZINC000093958157	193332380	/nfs/dbraw/zinc/33/23/80/193332380.db2.gz	RKBOFUZTLLKVDP-SSDOTTSWSA-N	0	0	307.349	0.444	10	5		DCBERN
CC[C@H](O)CN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1	ZINC000106392458	194206684	/nfs/dbraw/zinc/20/66/84/194206684.db2.gz	YXZFAUZKFRMBCT-LBPRGKRZSA-N	0	0	322.365	0.706	10	5		DCBERN
CO[C@H]1C[C@@H](C(N)=O)N(c2nc3sccn3c2[N+](=O)[O-])C1	ZINC000284429474	131080157	/nfs/dbraw/zinc/08/01/57/131080157.db2.gz	DNHYAZNYGCYIDX-BQBZGAKWSA-N	0	0	311.323	0.383	10	5		DCBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCc2ncnn2C1	ZINC000113298569	395829060	/nfs/dbraw/zinc/82/90/60/395829060.db2.gz	SGXMYNJPZNMAOY-SECBINFHSA-N	0	0	323.334	0.480	10	5		DCBERN
O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2F)c([N+](=O)[O-])c1	ZINC000220435724	395849035	/nfs/dbraw/zinc/84/90/35/395849035.db2.gz	FFZAEQIDAVDSET-SNXWAXQRSA-N	0	0	318.213	0.298	10	5		DCBERN
CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000055247121	395914790	/nfs/dbraw/zinc/91/47/90/395914790.db2.gz	MYMAKCPXXIJXLK-SNVBAGLBSA-N	0	0	313.335	0.494	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCCn2ccnn2)s1	ZINC000183159996	396264099	/nfs/dbraw/zinc/26/40/99/396264099.db2.gz	FCUROAXVMZTXFR-UHFFFAOYSA-N	0	0	317.352	0.616	10	5		DCBERN
Cn1nnc2ccc(C(=O)NCCn3cc([N+](=O)[O-])cn3)cc21	ZINC000185024400	396315288	/nfs/dbraw/zinc/31/52/88/396315288.db2.gz	LXSCQQKUMKLYSA-UHFFFAOYSA-N	0	0	315.293	0.503	10	5		DCBERN
C[C@@H]1C(=O)NCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1	ZINC000189273472	396392568	/nfs/dbraw/zinc/39/25/68/396392568.db2.gz	GXHSEXYQAAIJTN-LLVKDONJSA-N	0	0	320.349	0.768	10	5		DCBERN
Cc1nn(CCC(=O)N2CCCN(C)C(=O)C2)c(C)c1[N+](=O)[O-]	ZINC000189807082	396399711	/nfs/dbraw/zinc/39/97/11/396399711.db2.gz	AULLWEAMYAOPKX-UHFFFAOYSA-N	0	0	323.353	0.489	10	5		DCBERN
CN1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1=O	ZINC000190638478	396408828	/nfs/dbraw/zinc/40/88/28/396408828.db2.gz	ZFUCPDRLQGKCLV-UHFFFAOYSA-N	0	0	307.306	0.664	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-]	ZINC000596435374	396777658	/nfs/dbraw/zinc/77/76/58/396777658.db2.gz	MSHAUSXXEUHLQN-IONNQARKSA-N	0	0	321.742	0.867	10	5		DCBERN
Cc1nc(N2CCC[C@H]2CS(N)(=O)=O)ccc1[N+](=O)[O-]	ZINC000611398753	396861828	/nfs/dbraw/zinc/86/18/28/396861828.db2.gz	VBWCDIUCSSPTET-VIFPVBQESA-N	0	0	300.340	0.556	10	5		DCBERN
CC(=O)NC[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CCO1	ZINC000611616435	396895849	/nfs/dbraw/zinc/89/58/49/396895849.db2.gz	OOICHYLZYPGFRD-GFCCVEGCSA-N	0	0	308.338	0.948	10	5		DCBERN
CCN1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O	ZINC000619797867	397194107	/nfs/dbraw/zinc/19/41/07/397194107.db2.gz	VRPFRAJHQIPOPP-VIFPVBQESA-N	0	0	313.335	0.494	10	5		DCBERN
COC[C@@](C)(CO)NC(=O)CCNc1ccccc1[N+](=O)[O-]	ZINC000613533816	397274656	/nfs/dbraw/zinc/27/46/56/397274656.db2.gz	GRZGPKRRUTVFRA-CQSZACIVSA-N	0	0	311.338	0.910	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(n2ccnn2)C1	ZINC000365262746	397256297	/nfs/dbraw/zinc/25/62/97/397256297.db2.gz	FGLAQGKGHGSTOI-UHFFFAOYSA-N	0	0	303.278	0.892	10	5		DCBERN
Cc1nn(C)c(C)c1CCNC(=O)Cn1cc([N+](=O)[O-])nc1C	ZINC000120875880	158205400	/nfs/dbraw/zinc/20/54/00/158205400.db2.gz	IQFRHZGFUOHFCK-UHFFFAOYSA-N	0	0	320.353	0.809	10	5		DCBERN
Cc1c(CC(=O)N2CCN3CCOC[C@H]3C2)cccc1[N+](=O)[O-]	ZINC000371788059	159585264	/nfs/dbraw/zinc/58/52/64/159585264.db2.gz	IBFLERWFKOBHSP-CQSZACIVSA-N	0	0	319.361	0.989	10	5		DCBERN
CC(=O)N1CCC[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000408139912	160046030	/nfs/dbraw/zinc/04/60/30/160046030.db2.gz	PSOOIXVXMIEHLQ-CQSZACIVSA-N	0	0	318.333	0.885	10	5		DCBERN
CCc1n[nH]c(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-]	ZINC000408298896	160078881	/nfs/dbraw/zinc/07/88/81/160078881.db2.gz	RGBLMQXZIOCGHK-NXEZZACHSA-N	0	0	309.326	0.035	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000408350028	160089781	/nfs/dbraw/zinc/08/97/81/160089781.db2.gz	NSCZVWXXJCIEIY-GXFFZTMASA-N	0	0	309.326	0.340	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[C@H](C(N)=O)O1	ZINC000152506928	287041856	/nfs/dbraw/zinc/04/18/56/287041856.db2.gz	DDZPVOUBTGQQQD-ZYHUDNBSSA-N	0	0	307.306	0.666	10	5		DCBERN
C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N1CCOCC1	ZINC000173067917	287052647	/nfs/dbraw/zinc/05/26/47/287052647.db2.gz	AADVKCUICMSTSV-GFCCVEGCSA-N	0	0	307.350	0.974	10	5		DCBERN
Cn1cc([C@]2(C)CN(c3ncc([N+](=O)[O-])c(N)n3)CCO2)cn1	ZINC000268383029	415202603	/nfs/dbraw/zinc/20/26/03/415202603.db2.gz	JZVNCWGCQJJYMY-ZDUSSCGKSA-N	0	0	319.325	0.453	10	5		DCBERN
CC(C)N(CCO)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000277700449	415482541	/nfs/dbraw/zinc/48/25/41/415482541.db2.gz	DCBODYYNMPYDMQ-UHFFFAOYSA-N	0	0	303.340	0.449	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@H](C)O	ZINC000085990894	415506111	/nfs/dbraw/zinc/50/61/11/415506111.db2.gz	OEKWMZWXFXAIJS-MRVPVSSYSA-N	0	0	304.324	0.653	10	5		DCBERN
O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H](N2CCOCC2)C1	ZINC000172759797	416048270	/nfs/dbraw/zinc/04/82/70/416048270.db2.gz	FFRYRYGDHIMCKO-LBPRGKRZSA-N	0	0	323.353	0.115	10	5		DCBERN
CN1CCO[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1	ZINC000170683674	416028147	/nfs/dbraw/zinc/02/81/47/416028147.db2.gz	ZCFITCMEGXTQNH-LLVKDONJSA-N	0	0	308.338	0.454	10	5		DCBERN
O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1	ZINC000174854633	416087524	/nfs/dbraw/zinc/08/75/24/416087524.db2.gz	DWPDSVBXWNPVQO-GFCCVEGCSA-N	0	0	305.342	0.795	10	5		DCBERN
Cc1nn(C)c(C(=O)N2CC[C@](O)(C(F)(F)F)C2)c1[N+](=O)[O-]	ZINC000175161288	416097157	/nfs/dbraw/zinc/09/71/57/416097157.db2.gz	QNWCYVFVAJUVBG-SNVBAGLBSA-N	0	0	322.243	0.776	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCc2ccccc2[C@H]1CO	ZINC000357663082	416113511	/nfs/dbraw/zinc/11/35/11/416113511.db2.gz	TZKBYXODAWMXNY-GFCCVEGCSA-N	0	0	317.305	0.305	10	5		DCBERN
CC(C)n1nnnc1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	ZINC000195516815	416326645	/nfs/dbraw/zinc/32/66/45/416326645.db2.gz	PHIKZYPAOCZEKU-UHFFFAOYSA-N	0	0	316.277	0.958	10	5		DCBERN
C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)Oc1ccccc1F	ZINC000361844681	416509178	/nfs/dbraw/zinc/50/91/78/416509178.db2.gz	KQIIZAHESHMJGL-SECBINFHSA-N	0	0	323.284	0.909	10	5		DCBERN
CCc1nc(C(C)(C)NC(=O)Cn2cc([N+](=O)[O-])cn2)no1	ZINC000441726573	416679209	/nfs/dbraw/zinc/67/92/09/416679209.db2.gz	NHSDTFTXIYKCNJ-UHFFFAOYSA-N	0	0	308.298	0.788	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(n2ccnn2)C1	ZINC000368602105	416673707	/nfs/dbraw/zinc/67/37/07/416673707.db2.gz	MPUQPJUFBUCPJQ-UHFFFAOYSA-N	0	0	303.278	0.892	10	5		DCBERN
O=[N+]([O-])c1cccc(OCCN2CCN3CCOC[C@@H]3C2)c1	ZINC000368813737	416695873	/nfs/dbraw/zinc/69/58/73/416695873.db2.gz	KARTVOOJXURVIH-AWEZNQCLSA-N	0	0	307.350	0.990	10	5		DCBERN
CC(C)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccnn1C	ZINC000616014534	416953673	/nfs/dbraw/zinc/95/36/73/416953673.db2.gz	QOYKQEAZGDTQJA-JTQLQIEISA-N	0	0	321.341	0.476	10	5		DCBERN
CO[C@H]1COCC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1	ZINC000450698029	417261266	/nfs/dbraw/zinc/26/12/66/417261266.db2.gz	IXEXYPDAAYYSKT-ZJUUUORDSA-N	0	0	307.310	1.101	10	5		DCBERN
CCOC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC12COC2	ZINC000452615265	417492236	/nfs/dbraw/zinc/49/22/36/417492236.db2.gz	QWAFBJDIUSKBQA-VIFPVBQESA-N	0	0	323.305	0.575	10	5		DCBERN
CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)c2cccnc21	ZINC000488264268	287547779	/nfs/dbraw/zinc/54/77/79/287547779.db2.gz	LNHQRHLQFNWUHV-UHFFFAOYSA-N	0	0	303.282	0.064	10	5		DCBERN
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCO1	ZINC000228411002	545945857	/nfs/dbraw/zinc/94/58/57/545945857.db2.gz	KBPCIUZFLWSQDA-UHFFFAOYSA-N	0	0	316.291	0.707	10	5		DCBERN
NC(=O)c1coc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)c1	ZINC000186637228	261121180	/nfs/dbraw/zinc/12/11/80/261121180.db2.gz	YSPGDLKDDOHBKX-UHFFFAOYSA-N	0	0	319.273	0.982	10	5		DCBERN
CC(=O)N1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@H](C)C1	ZINC000358697902	261695461	/nfs/dbraw/zinc/69/54/61/261695461.db2.gz	WHCJYXOBJYZZBF-SNVBAGLBSA-N	0	0	323.353	0.606	10	5		DCBERN
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1ccc([N+](=O)[O-])cn1	ZINC000362656048	262055990	/nfs/dbraw/zinc/05/59/90/262055990.db2.gz	KHJKJOKQDFMAAN-BDAKNGLRSA-N	0	0	310.310	0.858	10	5		DCBERN
CCc1ccc(C(=O)NC[C@H](O)Cn2ccnn2)cc1[N+](=O)[O-]	ZINC000458141152	271944557	/nfs/dbraw/zinc/94/45/57/271944557.db2.gz	NZSRTGRCOCHBEL-LBPRGKRZSA-N	0	0	319.321	0.540	10	5		DCBERN
CN1CCOC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000408040709	276932420	/nfs/dbraw/zinc/93/24/20/276932420.db2.gz	CLXFZQAUKWLNJZ-CQSZACIVSA-N	0	0	305.334	0.810	10	5		DCBERN
COc1cc(N2CCN(C(=O)CO)CC2)c([N+](=O)[O-])cc1F	ZINC000301913926	277381682	/nfs/dbraw/zinc/38/16/82/277381682.db2.gz	CSHLUEISLIHHSR-UHFFFAOYSA-N	0	0	313.285	0.383	10	5		DCBERN
C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCN1CCO	ZINC000187721112	533916703	/nfs/dbraw/zinc/91/67/03/533916703.db2.gz	GPRUZTGECUBWGJ-LBPRGKRZSA-N	0	0	322.365	0.532	10	5		DCBERN
CC(=O)NC1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1	ZINC000188556668	519649622	/nfs/dbraw/zinc/64/96/22/519649622.db2.gz	KRCKMMKOLMBRDP-UHFFFAOYSA-N	0	0	313.335	0.245	10	5		DCBERN
C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCN1CCO	ZINC000187721093	534457407	/nfs/dbraw/zinc/45/74/07/534457407.db2.gz	GPRUZTGECUBWGJ-GFCCVEGCSA-N	0	0	322.365	0.532	10	5		DCBERN
NS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1	ZINC000299658002	534703334	/nfs/dbraw/zinc/70/33/34/534703334.db2.gz	NCCKUWBSWOYVPE-ZYHUDNBSSA-N	0	0	315.351	0.958	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)[C@H](C)O)CC1	ZINC000124408877	525559187	/nfs/dbraw/zinc/55/91/87/525559187.db2.gz	KRSNIJNINPOEND-NSHDSACASA-N	0	0	321.333	0.568	10	5		DCBERN
O=C(COc1ccccc1[N+](=O)[O-])N1CC(NC(=O)C2CC2)C1	ZINC000189360193	526995012	/nfs/dbraw/zinc/99/50/12/526995012.db2.gz	SXFNPHQXQQWYSC-UHFFFAOYSA-N	0	0	319.317	0.711	10	5		DCBERN
CC(C)(CNc1cc(CO)ccc1[N+](=O)[O-])NS(C)(=O)=O	ZINC000302074342	527181845	/nfs/dbraw/zinc/18/18/45/527181845.db2.gz	XBTCWVRWCXIZQX-UHFFFAOYSA-N	0	0	317.367	0.827	10	5		DCBERN
CC(=O)N1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@@H](C)C1	ZINC000358697899	546193482	/nfs/dbraw/zinc/19/34/82/546193482.db2.gz	WHCJYXOBJYZZBF-JTQLQIEISA-N	0	0	323.353	0.606	10	5		DCBERN
CCOc1ccc(C(=O)N2CCCNC(=O)C2)cc1[N+](=O)[O-]	ZINC000726783141	661669796	/nfs/dbraw/zinc/66/97/96/661669796.db2.gz	WXHXRSSBHQNKGZ-UHFFFAOYSA-N	0	0	307.306	0.956	10	5		DCBERN
NCc1nc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)no1	ZINC000262149852	662116882	/nfs/dbraw/zinc/11/68/82/662116882.db2.gz	FVLCHWOTPOJYEP-SECBINFHSA-N	0	0	319.325	0.518	10	5		DCBERN
COc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)O)cc1[N+](=O)[O-]	ZINC000344920422	663080929	/nfs/dbraw/zinc/08/09/29/663080929.db2.gz	SSTMIDGZCHSLCI-HTQZYQBOSA-N	0	0	304.324	0.651	10	5		DCBERN
CNC(=O)c1ccc(COC(=O)Cn2cnc([N+](=O)[O-])n2)cc1	ZINC000731373779	664855740	/nfs/dbraw/zinc/85/57/40/664855740.db2.gz	IGQIVRSVBBSRCO-UHFFFAOYSA-N	0	0	319.277	0.289	10	5		DCBERN
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000068100440	665398651	/nfs/dbraw/zinc/39/86/51/665398651.db2.gz	SHFYELWAEBJBCS-PSASIEDQSA-N	0	0	306.322	0.903	10	5		DCBERN
CC[S@@](=O)CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1	ZINC000735075924	666942460	/nfs/dbraw/zinc/94/24/60/666942460.db2.gz	QBZWUGAWQBBXML-LJQANCHMSA-N	0	0	321.380	0.423	10	5		DCBERN
CC(=O)NCCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC000050702663	1171736547	/nfs/dbraw/zinc/73/65/47/1171736547.db2.gz	MRLHTQAIVCFYBU-UHFFFAOYSA-N	0	0	300.702	0.696	10	5		DCBERN
CN1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1=O	ZINC000084207883	1174945842	/nfs/dbraw/zinc/94/58/42/1174945842.db2.gz	DEIVDTCWEMJUGZ-UHFFFAOYSA-N	0	0	312.713	0.745	10	5		DCBERN
COC(CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O)OC	ZINC000090358916	1175394831	/nfs/dbraw/zinc/39/48/31/1175394831.db2.gz	IDVVBESINQDGKS-UHFFFAOYSA-N	0	0	316.291	0.358	10	5		DCBERN
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCc1cc[nH]n1	ZINC000166361238	1183379903	/nfs/dbraw/zinc/37/99/03/1183379903.db2.gz	BVQODWQHKCKVPD-UHFFFAOYSA-N	0	0	300.271	0.936	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCS(N)(=O)=O	ZINC000719423658	952476380	/nfs/dbraw/zinc/47/63/80/952476380.db2.gz	WHWLIYOQUSZWAR-UHFFFAOYSA-N	0	0	301.324	0.264	10	5		DCBERN
C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CCS1(=O)=O	ZINC000172373989	198088007	/nfs/dbraw/zinc/08/80/07/198088007.db2.gz	FIIWZNTXWAKXML-SSDOTTSWSA-N	0	0	304.349	0.915	10	5		DCBERN
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])[C@H]2C1	ZINC000408093011	283155545	/nfs/dbraw/zinc/15/55/45/283155545.db2.gz	MTRPRXGHYHAHKQ-UONOGXRCSA-N	0	0	321.333	0.846	10	5		DCBERN
O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000089753871	192859085	/nfs/dbraw/zinc/85/90/85/192859085.db2.gz	COGWTIQJWAXAKW-SECBINFHSA-N	0	0	311.681	0.783	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)n1	ZINC000191837164	237454392	/nfs/dbraw/zinc/45/43/92/237454392.db2.gz	BIUZXWLTDWJHSR-MRVPVSSYSA-N	0	0	307.310	0.304	10	5		DCBERN
CC(=O)c1cc(NC[C@@H](C)S(N)(=O)=O)ccc1[N+](=O)[O-]	ZINC000342533221	253506250	/nfs/dbraw/zinc/50/62/50/253506250.db2.gz	CUFOOZMWIUEFIX-SSDOTTSWSA-N	0	0	301.324	0.886	10	5		DCBERN
CS(=O)(=O)N[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000116872952	395847787	/nfs/dbraw/zinc/84/77/87/395847787.db2.gz	SFSGVQADSFINNR-SECBINFHSA-N	0	0	303.315	0.862	10	5		DCBERN
NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000194395467	395795866	/nfs/dbraw/zinc/79/58/66/395795866.db2.gz	SOMMKYJHYSJNBC-SSDOTTSWSA-N	0	0	319.364	0.685	10	5		DCBERN
NS(=O)(=O)c1cccc(NC[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-]	ZINC000272481183	395894206	/nfs/dbraw/zinc/89/42/06/395894206.db2.gz	JJFSVEVCTABGCZ-SCZZXKLOSA-N	0	0	315.351	0.815	10	5		DCBERN
NC(=O)[C@@H]1COCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1	ZINC000273418651	395920112	/nfs/dbraw/zinc/92/01/12/395920112.db2.gz	YQIKQOLDWWHEPF-VIFPVBQESA-N	0	0	317.248	0.887	10	5		DCBERN
C[C@H](CCNC(=O)c1cc([N+](=O)[O-])cnc1N)[S@](C)=O	ZINC000227887955	395870606	/nfs/dbraw/zinc/87/06/06/395870606.db2.gz	YTPOXEFPXLZWCM-GLEHDBDLSA-N	0	0	300.340	0.459	10	5		DCBERN
CC1(C)CN(CCn2ccc([N+](=O)[O-])n2)CCS1(=O)=O	ZINC000155444996	396051707	/nfs/dbraw/zinc/05/17/07/396051707.db2.gz	ZSQFEWVFPGOVHQ-UHFFFAOYSA-N	0	0	302.356	0.300	10	5		DCBERN
CNC(=O)c1ccc(N2CCC[C@H]2C(=O)NC)c([N+](=O)[O-])c1	ZINC000171988365	396128462	/nfs/dbraw/zinc/12/84/62/396128462.db2.gz	XAIWHHKDBHQCBV-NSHDSACASA-N	0	0	306.322	0.669	10	5		DCBERN
C[C@@H](C(=O)N[C@H]1CCC(=O)NC1=O)c1ccc([N+](=O)[O-])cc1F	ZINC000183384167	396269295	/nfs/dbraw/zinc/26/92/95/396269295.db2.gz	CBHKRAAWSYDAIQ-HQJQHLMTSA-N	0	0	323.280	0.759	10	5		DCBERN
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCF	ZINC000280794264	396221986	/nfs/dbraw/zinc/22/19/86/396221986.db2.gz	RAXOMRYDCLVHLK-UHFFFAOYSA-N	0	0	306.271	0.629	10	5		DCBERN
CC(C)c1n[nH]c(C(=O)N2CC(=O)N(C)[C@@H](C)C2)c1[N+](=O)[O-]	ZINC000282319015	396280753	/nfs/dbraw/zinc/28/07/53/396280753.db2.gz	JNOLCNMMGXWDHX-QMMMGPOBSA-N	0	0	309.326	0.744	10	5		DCBERN
Cc1c(F)cc(S(=O)(=O)N2CC(C)(O)C2)cc1[N+](=O)[O-]	ZINC000283163171	396314372	/nfs/dbraw/zinc/31/43/72/396314372.db2.gz	KKXZOMSAVOVMML-UHFFFAOYSA-N	0	0	304.299	0.798	10	5		DCBERN
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC(CO)C1	ZINC000185758190	396334523	/nfs/dbraw/zinc/33/45/23/396334523.db2.gz	QMMGZSFPNBSSPK-UHFFFAOYSA-N	0	0	304.299	0.655	10	5		DCBERN
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1N1CCOCC1	ZINC000286071275	396372454	/nfs/dbraw/zinc/37/24/54/396372454.db2.gz	LVLNBVGERFTKGQ-MWLCHTKSSA-N	0	0	309.326	0.111	10	5		DCBERN
CCOc1cccc(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)n1	ZINC000610760412	396759722	/nfs/dbraw/zinc/75/97/22/396759722.db2.gz	HVZKUDCYMRXSEC-UHFFFAOYSA-N	0	0	320.309	0.339	10	5		DCBERN
O=C(c1ccnnc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000611129917	396821394	/nfs/dbraw/zinc/82/13/94/396821394.db2.gz	RJAAXYYECAJZET-UHFFFAOYSA-N	0	0	314.305	0.742	10	5		DCBERN
NC(=O)N[C@@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1	ZINC000611712891	396915235	/nfs/dbraw/zinc/91/52/35/396915235.db2.gz	RZCJPUOSVNEVEP-MRVPVSSYSA-N	0	0	302.294	0.785	10	5		DCBERN
COc1ccc(CNC(=O)NCc2cn(C)nn2)cc1[N+](=O)[O-]	ZINC000611937933	396952755	/nfs/dbraw/zinc/95/27/55/396952755.db2.gz	BAFUZLADPKPHOW-UHFFFAOYSA-N	0	0	320.309	0.731	10	5		DCBERN
COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CCCO	ZINC000619683096	397174504	/nfs/dbraw/zinc/17/45/04/397174504.db2.gz	ZDHFODZJZDCZQB-UHFFFAOYSA-N	0	0	304.324	0.606	10	5		DCBERN
CCc1nn(C)c(N2CCC[C@]3(CNC(=O)C3)C2)c1[N+](=O)[O-]	ZINC000408076868	397346340	/nfs/dbraw/zinc/34/63/40/397346340.db2.gz	OZUFLIQIIAONTB-AWEZNQCLSA-N	0	0	307.354	0.997	10	5		DCBERN
NC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000064335315	158033419	/nfs/dbraw/zinc/03/34/19/158033419.db2.gz	CUDAFXDUZYJJBP-NSHDSACASA-N	0	0	315.289	0.235	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CS(C)(=O)=O	ZINC000172008914	158389633	/nfs/dbraw/zinc/38/96/33/158389633.db2.gz	PTQWQIQNQYPSKV-ZETCQYMHSA-N	0	0	301.324	0.461	10	5		DCBERN
CN1CCO[C@H]2CN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C[C@H]21	ZINC000408073284	160029213	/nfs/dbraw/zinc/02/92/13/160029213.db2.gz	KIIJEGFJHPIGDD-OLZOCXBDSA-N	0	0	307.306	0.455	10	5		DCBERN
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC(=O)N(C)C2)c1C	ZINC000408142162	160046643	/nfs/dbraw/zinc/04/66/43/160046643.db2.gz	WFUAOGPBFXBRIT-UHFFFAOYSA-N	0	0	313.335	0.632	10	5		DCBERN
C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)[S@@]1=O	ZINC000408343356	160088219	/nfs/dbraw/zinc/08/82/19/160088219.db2.gz	PCGDANYRKKNRTK-OMSYJELOSA-N	0	0	300.340	0.310	10	5		DCBERN
O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2ncnn2C1	ZINC000112661396	415712554	/nfs/dbraw/zinc/71/25/54/415712554.db2.gz	RSLCNSPGUUBBEH-SNVBAGLBSA-N	0	0	317.305	0.696	10	5		DCBERN
Cc1c(NC(=O)C(=O)N2CCC[C@H]2CO)cccc1[N+](=O)[O-]	ZINC000121022494	415789202	/nfs/dbraw/zinc/78/92/02/415789202.db2.gz	WXHPWLPVRWXXBN-JTQLQIEISA-N	0	0	307.306	0.825	10	5		DCBERN
Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)CN2CCOCC2)c1	ZINC000132386654	415933137	/nfs/dbraw/zinc/93/31/37/415933137.db2.gz	WHVONLBIWOPGBO-LBPRGKRZSA-N	0	0	323.349	0.326	10	5		DCBERN
O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](CO)C1	ZINC000167454089	416022226	/nfs/dbraw/zinc/02/22/26/416022226.db2.gz	SVGYJPXQVNACJU-NSHDSACASA-N	0	0	312.347	0.907	10	5		DCBERN
C[C@@]1(O)CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1	ZINC000301899139	416096766	/nfs/dbraw/zinc/09/67/66/416096766.db2.gz	XNYQLYJVVPTFIN-GFCCVEGCSA-N	0	0	300.336	0.959	10	5		DCBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCCn2ncnc21	ZINC000176744273	416133413	/nfs/dbraw/zinc/13/34/13/416133413.db2.gz	CEUSXUJHIRGGKD-VIFPVBQESA-N	0	0	323.334	1.000	10	5		DCBERN
Cc1nc(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)sc1C	ZINC000358064479	416186157	/nfs/dbraw/zinc/18/61/57/416186157.db2.gz	ZZGUAJWSKKZGTI-UHFFFAOYSA-N	0	0	310.339	0.619	10	5		DCBERN
CCNC(=O)C1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1	ZINC000178125462	416157943	/nfs/dbraw/zinc/15/79/43/416157943.db2.gz	GAUXTJPJCCIGMG-UHFFFAOYSA-N	0	0	307.306	0.812	10	5		DCBERN
COC[C@](C)(O)CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-]	ZINC000557568820	416737449	/nfs/dbraw/zinc/73/74/49/416737449.db2.gz	KPDJJCHKDRETIE-CYBMUJFWSA-N	0	0	313.310	0.894	10	5		DCBERN
COC(=O)[C@@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443760166	416779040	/nfs/dbraw/zinc/77/90/40/416779040.db2.gz	UWXXVERAXRDYPE-MRVPVSSYSA-N	0	0	302.308	0.576	10	5		DCBERN
CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])nc1	ZINC000450482674	417232666	/nfs/dbraw/zinc/23/26/66/417232666.db2.gz	HLWWWORHAUINME-IUCAKERBSA-N	0	0	310.310	0.858	10	5		DCBERN
CCOC(=O)[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC12COC2	ZINC000450567931	417240728	/nfs/dbraw/zinc/24/07/28/417240728.db2.gz	UNIZRJQKQZVFBC-JTQLQIEISA-N	0	0	324.337	0.653	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(NC[C@H]3CN4CCN3CC4)nn21	ZINC000301960136	230005652	/nfs/dbraw/zinc/00/56/52/230005652.db2.gz	MDBHCZQYUJQDAZ-JTQLQIEISA-N	0	0	303.326	0.049	10	5		DCBERN
CO[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1C	ZINC000188052223	261125908	/nfs/dbraw/zinc/12/59/08/261125908.db2.gz	DRMLUIWYAXFQLT-PWSUYJOCSA-N	0	0	309.322	0.640	10	5		DCBERN
O=C(COc1cccc([N+](=O)[O-])c1)N1CC(n2ccnn2)C1	ZINC000361906481	261975520	/nfs/dbraw/zinc/97/55/20/261975520.db2.gz	HQBLALYGFXULNX-UHFFFAOYSA-N	0	0	303.278	0.649	10	5		DCBERN
CCc1n[nH]c(C(=O)N2CCN3CCOC[C@H]3C2)c1[N+](=O)[O-]	ZINC000364005838	262140115	/nfs/dbraw/zinc/14/01/15/262140115.db2.gz	YHCHRRVBHSQYFG-SECBINFHSA-N	0	0	309.326	0.037	10	5		DCBERN
COCC[C@@H](CO)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000359984224	271153430	/nfs/dbraw/zinc/15/34/30/271153430.db2.gz	LBVRUAOJJABMIG-NSHDSACASA-N	0	0	318.351	0.412	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]12CCOC2	ZINC000194421613	279157785	/nfs/dbraw/zinc/15/77/85/279157785.db2.gz	HUKYIEMJAPKHNI-CQSZACIVSA-N	0	0	307.306	0.930	10	5		DCBERN
CNS(=O)(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1	ZINC000577098238	341885685	/nfs/dbraw/zinc/88/56/85/341885685.db2.gz	XRZWVZNEOKOXTQ-JTQLQIEISA-N	0	0	300.340	0.508	10	5		DCBERN
C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](C(N)=O)O1	ZINC000157606403	524796986	/nfs/dbraw/zinc/79/69/86/524796986.db2.gz	WGYXAEGTVLXDGY-SKDRFNHKSA-N	0	0	307.306	0.239	10	5		DCBERN
Nc1ccc(C(=O)N2CC(NC(=O)C3CCC3)C2)cc1[N+](=O)[O-]	ZINC000188565107	527466636	/nfs/dbraw/zinc/46/66/36/527466636.db2.gz	JHXCZKRLOZONPX-UHFFFAOYSA-N	0	0	318.333	0.918	10	5		DCBERN
COc1ccnc(N2CCN(Cn3nccc3[N+](=O)[O-])CC2)n1	ZINC000057092056	664425361	/nfs/dbraw/zinc/42/53/61/664425361.db2.gz	NSCYAVIWEQPAJB-UHFFFAOYSA-N	0	0	319.325	0.370	10	5		DCBERN
CC[S@@](=O)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1	ZINC000733958783	666832179	/nfs/dbraw/zinc/83/21/79/666832179.db2.gz	CFYIQSSVPXWACN-OAQYLSRUSA-N	0	0	318.326	0.998	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)OC[C@@H]1Cc2cc(F)ccc2O1	ZINC000740596228	667747886	/nfs/dbraw/zinc/74/78/86/667747886.db2.gz	YLOAKZQGQOEJOT-JTQLQIEISA-N	0	0	322.252	0.872	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)OC[C@H]1Cc2cc(F)ccc2O1	ZINC000740596229	667747969	/nfs/dbraw/zinc/74/79/69/667747969.db2.gz	YLOAKZQGQOEJOT-SNVBAGLBSA-N	0	0	322.252	0.872	10	5		DCBERN
COC(=O)Cc1ccccc1OC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000741948505	667778492	/nfs/dbraw/zinc/77/84/92/667778492.db2.gz	FWRVIEUZPHBIQK-UHFFFAOYSA-N	0	0	320.261	0.507	10	5		DCBERN
CCCn1cnnc1COC(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000124112448	667899747	/nfs/dbraw/zinc/89/97/47/667899747.db2.gz	YPXQDSKPNVQPKP-UHFFFAOYSA-N	0	0	308.298	0.926	10	5		DCBERN
Cc1noc([C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C(C)C)n1	ZINC000171815253	1183778045	/nfs/dbraw/zinc/77/80/45/1183778045.db2.gz	AQIGUQMLNMGCFX-NSHDSACASA-N	0	0	308.298	0.996	10	5		DCBERN
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@H](O)[C@H](CO)C1	ZINC000317723319	1190423110	/nfs/dbraw/zinc/42/31/10/1190423110.db2.gz	UWTMCQVWSWDKSO-CPCISQLKSA-N	0	0	300.698	0.673	10	5		DCBERN
O=c1c2nnc3ncnn3c2ccn1-c1ccccc1[N+](=O)[O-]	ZINC000072452199	191170791	/nfs/dbraw/zinc/17/07/91/191170791.db2.gz	NFDPGIRXOHVMNZ-UHFFFAOYSA-N	0	0	309.245	0.732	10	5		DCBERN
CC(C)(C)OC(=O)[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC000174890900	198398124	/nfs/dbraw/zinc/39/81/24/198398124.db2.gz	YGSJDMMADUBWPB-JTQLQIEISA-N	0	0	324.337	0.982	10	5		DCBERN
COC(=O)C(C)(C)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1	ZINC000489934808	241101742	/nfs/dbraw/zinc/10/17/42/241101742.db2.gz	JHHLVOXEGVISIL-UHFFFAOYSA-N	0	0	309.326	0.458	10	5		DCBERN
Nc1nnc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000020202108	182197295	/nfs/dbraw/zinc/19/72/95/182197295.db2.gz	KWRLUTVESQDAFB-UHFFFAOYSA-N	0	0	315.336	0.507	10	5		DCBERN
CC(=O)N1CC[C@H](CN(C)c2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000339057823	253026535	/nfs/dbraw/zinc/02/65/35/253026535.db2.gz	KDRWQMQTSBPNQI-SNVBAGLBSA-N	0	0	321.337	0.393	10	5		DCBERN
C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)S(N)(=O)=O	ZINC000350626936	254320947	/nfs/dbraw/zinc/32/09/47/254320947.db2.gz	BUUVVPUFFDMGMH-ZCFIWIBFSA-N	0	0	305.287	0.141	10	5		DCBERN
COC(=O)[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1	ZINC000195082177	395815413	/nfs/dbraw/zinc/81/54/13/395815413.db2.gz	OOLOIHITRYRABG-CYBMUJFWSA-N	0	0	318.289	0.822	10	5		DCBERN
CCC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000274401114	395945123	/nfs/dbraw/zinc/94/51/23/395945123.db2.gz	XUZQSAYEPSPOMT-UHFFFAOYSA-N	0	0	302.308	0.861	10	5		DCBERN
CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N@@+]2([O-])CCC[C@@H]12)[C@H](C)O	ZINC000253393679	396026550	/nfs/dbraw/zinc/02/65/50/396026550.db2.gz	ZRIYCGOWLRWLAO-IICXDKKESA-N	0	0	302.391	0.686	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@H](c2nccs2)C1	ZINC000171855040	396126653	/nfs/dbraw/zinc/12/66/53/396126653.db2.gz	DNDYNNRRXLTAAD-JTQLQIEISA-N	0	0	323.334	0.848	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCN2C(=O)C(=O)NC[C@@H]2C1	ZINC000183391234	396269136	/nfs/dbraw/zinc/26/91/36/396269136.db2.gz	GHAOXGALTBBTAI-CYBMUJFWSA-N	0	0	318.333	0.046	10	5		DCBERN
CC(=O)NC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCO1	ZINC000265517135	396323996	/nfs/dbraw/zinc/32/39/96/396323996.db2.gz	QQWSNABSADVILY-SNVBAGLBSA-N	0	0	314.729	0.985	10	5		DCBERN
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1	ZINC000188391173	396381813	/nfs/dbraw/zinc/38/18/13/396381813.db2.gz	SMMBXOCUNOPEIO-DGCLKSJQSA-N	0	0	307.306	0.823	10	5		DCBERN
CCN1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1=O	ZINC000190493266	396407028	/nfs/dbraw/zinc/40/70/28/396407028.db2.gz	FLZWPTSNMQWYIL-UHFFFAOYSA-N	0	0	306.322	0.993	10	5		DCBERN
CCN1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1=O	ZINC000190644692	396408902	/nfs/dbraw/zinc/40/89/02/396408902.db2.gz	MRNWUKOHGTYQTC-UHFFFAOYSA-N	0	0	317.298	0.544	10	5		DCBERN
CN1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O	ZINC000191159925	396416760	/nfs/dbraw/zinc/41/67/60/396416760.db2.gz	LRNNHCSVBFECJM-ZDUSSCGKSA-N	0	0	323.349	0.499	10	5		DCBERN
CN1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1=O	ZINC000188225864	396380539	/nfs/dbraw/zinc/38/05/39/396380539.db2.gz	JMLBVYKGVRPQAM-UHFFFAOYSA-N	0	0	319.364	0.509	10	5		DCBERN
CC(=O)NC1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1	ZINC000611153065	396823885	/nfs/dbraw/zinc/82/38/85/396823885.db2.gz	IXQLPOAGRGOQNY-UHFFFAOYSA-N	0	0	304.310	0.742	10	5		DCBERN
COCC(=O)N1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1	ZINC000611615916	396896144	/nfs/dbraw/zinc/89/61/44/396896144.db2.gz	LXISAHIROPSHOK-UHFFFAOYSA-N	0	0	308.338	0.902	10	5		DCBERN
CCN1CC[C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1=O	ZINC000619801721	397195052	/nfs/dbraw/zinc/19/50/52/397195052.db2.gz	MCJXLWUIBBPYLW-LLVKDONJSA-N	0	0	307.306	0.954	10	5		DCBERN
CCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C1=O	ZINC000619801780	397195162	/nfs/dbraw/zinc/19/51/62/397195162.db2.gz	OHPQUNXCGOYYMC-NSHDSACASA-N	0	0	307.306	0.954	10	5		DCBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@@H](CC(N)=O)C1	ZINC000599186943	397356737	/nfs/dbraw/zinc/35/67/37/397356737.db2.gz	LHVQHOWDLMPLHF-NSHDSACASA-N	0	0	307.306	0.878	10	5		DCBERN
COC(=O)c1cc(C)nc(N2C[C@@H](F)C[C@H]2CO)c1[N+](=O)[O-]	ZINC000367815247	397410903	/nfs/dbraw/zinc/41/09/03/397410903.db2.gz	MFXOJXMBEHNCPK-IUCAKERBSA-N	0	0	313.285	0.994	10	5		DCBERN
O=[N+]([O-])c1ccc(NCCCN2CCCS2(=O)=O)cn1	ZINC000609797018	397791944	/nfs/dbraw/zinc/79/19/44/397791944.db2.gz	LSLKYJLHSLDBEB-UHFFFAOYSA-N	0	0	300.340	0.827	10	5		DCBERN
O=C1NCCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000066000240	158034272	/nfs/dbraw/zinc/03/42/72/158034272.db2.gz	BPKLASCIXVYABP-ZETCQYMHSA-N	0	0	319.364	0.603	10	5		DCBERN
C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])N1CCOCC1	ZINC000067291625	158038863	/nfs/dbraw/zinc/03/88/63/158038863.db2.gz	ZZHXJFQMWHSMDA-LBPRGKRZSA-N	0	0	322.365	0.844	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN[C@H](C)C1	ZINC000088059383	158092956	/nfs/dbraw/zinc/09/29/56/158092956.db2.gz	CRMWTOITIJBIAU-SECBINFHSA-N	0	0	315.351	0.586	10	5		DCBERN
O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2ncnn2C1	ZINC000112653921	158143458	/nfs/dbraw/zinc/14/34/58/158143458.db2.gz	WXUFICBVBDDXBA-LLVKDONJSA-N	0	0	301.306	0.860	10	5		DCBERN
Cc1nc2n(n1)C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)CC2	ZINC000171335352	158381710	/nfs/dbraw/zinc/38/17/10/158381710.db2.gz	KLWIOZANMBEMPU-SNVBAGLBSA-N	0	0	316.321	0.943	10	5		DCBERN
CC(=O)NC1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000188546046	158545811	/nfs/dbraw/zinc/54/58/11/158545811.db2.gz	FEBRXBFKGMEDNX-UHFFFAOYSA-N	0	0	317.298	0.243	10	5		DCBERN
CO[C@@H]1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1	ZINC000246903315	158672561	/nfs/dbraw/zinc/67/25/61/158672561.db2.gz	RMWBVYHBLUPGPL-FRRDWIJNSA-N	0	0	324.337	0.586	10	5		DCBERN
Cc1c(CC(=O)N2CCN3CCOC[C@@H]3C2)cccc1[N+](=O)[O-]	ZINC000371788058	159585184	/nfs/dbraw/zinc/58/51/84/159585184.db2.gz	IBFLERWFKOBHSP-AWEZNQCLSA-N	0	0	319.361	0.989	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@]2(CCCOC2)C1	ZINC000408297403	160079403	/nfs/dbraw/zinc/07/94/03/160079403.db2.gz	JJCKKBOOYAANFP-CYBMUJFWSA-N	0	0	309.326	0.606	10	5		DCBERN
CN(C)c1ncc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cn1	ZINC000126167947	286970071	/nfs/dbraw/zinc/97/00/71/286970071.db2.gz	ASSLCJLZBPFJRI-UHFFFAOYSA-N	0	0	305.298	0.676	10	5		DCBERN
C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O	ZINC000122127174	415827524	/nfs/dbraw/zinc/82/75/24/415827524.db2.gz	DVSLQLACQQKLPR-JTQLQIEISA-N	0	0	312.347	0.783	10	5		DCBERN
NS(=O)(=O)c1ccc(NC[C@@H](CO)C2CC2)c([N+](=O)[O-])c1	ZINC000357787287	416132271	/nfs/dbraw/zinc/13/22/71/416132271.db2.gz	VCPKLDFVDSLTIZ-VIFPVBQESA-N	0	0	315.351	0.673	10	5		DCBERN
CNC(=O)[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(C)C	ZINC000178710538	416170052	/nfs/dbraw/zinc/17/00/52/416170052.db2.gz	KOCVNUUDUKXNDQ-AWEZNQCLSA-N	0	0	322.365	0.918	10	5		DCBERN
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cn1ncn(C)c1=O	ZINC000182600866	416226340	/nfs/dbraw/zinc/22/63/40/416226340.db2.gz	XNGJJEXTEBUWQD-VIFPVBQESA-N	0	0	317.305	0.468	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCNC(=O)C(C)C)n1	ZINC000191882073	416291471	/nfs/dbraw/zinc/29/14/71/416291471.db2.gz	VBQIZXZXGCLPBO-UHFFFAOYSA-N	0	0	311.342	0.655	10	5		DCBERN
C[S@](=O)C1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCC1	ZINC000435664090	416531128	/nfs/dbraw/zinc/53/11/28/416531128.db2.gz	RFCFKTNJHLXNGN-OAQYLSRUSA-N	0	0	309.351	1.351	10	5		DCBERN
CC(=O)[C@](C)(O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000459514061	416546276	/nfs/dbraw/zinc/54/62/76/416546276.db2.gz	RUVWNNIFEWMLEE-CQSZACIVSA-N	0	0	308.338	0.452	10	5		DCBERN
C[C@@H]1CN(CCNc2ccc3ncc([N+](=O)[O-])n3n2)CCO1	ZINC000534311103	416499946	/nfs/dbraw/zinc/49/99/46/416499946.db2.gz	QMUPPJITMHWKKA-SNVBAGLBSA-N	0	0	306.326	0.770	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(C(F)(F)F)nn1	ZINC000361889899	416518509	/nfs/dbraw/zinc/51/85/09/416518509.db2.gz	CJUKHXMDSLDZKU-UHFFFAOYSA-N	0	0	317.187	0.634	10	5		DCBERN
COC(=O)C(C)(C)N1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1	ZINC000450454739	287451337	/nfs/dbraw/zinc/45/13/37/287451337.db2.gz	SIULRFPILSEYFV-UHFFFAOYSA-N	0	0	323.353	0.767	10	5		DCBERN
CC(=O)NC1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1	ZINC000188546904	261128461	/nfs/dbraw/zinc/12/84/61/261128461.db2.gz	GDPMRBWTDRZCOV-UHFFFAOYSA-N	0	0	313.335	0.245	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(CC(N)=O)c1	ZINC000194813935	261148197	/nfs/dbraw/zinc/14/81/97/261148197.db2.gz	GOYHZWLRUCXQKW-UHFFFAOYSA-N	0	0	303.278	0.837	10	5		DCBERN
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](CO)C1CC1	ZINC000357782606	261584359	/nfs/dbraw/zinc/58/43/59/261584359.db2.gz	NLXVIVQASOXCQI-VIFPVBQESA-N	0	0	315.351	0.673	10	5		DCBERN
COc1cc(CN2CCNC(=O)CC2)c([N+](=O)[O-])cc1OC	ZINC000093101666	277376864	/nfs/dbraw/zinc/37/68/64/277376864.db2.gz	UDYPNIWXCOGQFN-UHFFFAOYSA-N	0	0	309.322	0.934	10	5		DCBERN
C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCO1	ZINC000186578755	289201120	/nfs/dbraw/zinc/20/11/20/289201120.db2.gz	XUPYGIOOMPWZKG-LLVKDONJSA-N	0	0	309.322	0.703	10	5		DCBERN
C[NH+](C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000182024431	289217432	/nfs/dbraw/zinc/21/74/32/289217432.db2.gz	JGVQSUJMKFKFIH-NSHDSACASA-N	0	0	309.322	0.703	10	5		DCBERN
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])[C@@H]2C1	ZINC000285828620	290236065	/nfs/dbraw/zinc/23/60/65/290236065.db2.gz	PHFVZQQGDRBYMD-CHWSQXEVSA-N	0	0	321.333	0.846	10	5		DCBERN
CCc1nnc([C@@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)CCO2)[nH]1	ZINC000131643251	522140406	/nfs/dbraw/zinc/14/04/06/522140406.db2.gz	XLTSRJZXIAFRCY-QMMMGPOBSA-N	0	0	320.313	0.225	10	5		DCBERN
COCC(=O)NC1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1	ZINC000185281964	522757828	/nfs/dbraw/zinc/75/78/28/522757828.db2.gz	KMNYFTVUJVJMFU-UHFFFAOYSA-N	0	0	307.306	0.111	10	5		DCBERN
COCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC	ZINC000228409881	523959509	/nfs/dbraw/zinc/95/95/09/523959509.db2.gz	BNLWYYIABCOGHQ-UHFFFAOYSA-N	0	0	318.307	0.306	10	5		DCBERN
Cc1cc(C(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)[nH]n1	ZINC000130092080	524148078	/nfs/dbraw/zinc/14/80/78/524148078.db2.gz	NZIXKVDDNXGYGQ-OLZOCXBDSA-N	0	0	320.305	0.451	10	5		DCBERN
CCN1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1=O	ZINC000302719629	527912872	/nfs/dbraw/zinc/91/28/72/527912872.db2.gz	KSJKVCNEPRTJNP-UHFFFAOYSA-N	0	0	319.364	0.686	10	5		DCBERN
COc1ccc(CN[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	ZINC000021517436	662481986	/nfs/dbraw/zinc/48/19/86/662481986.db2.gz	NJJSNLRWTLKBLF-SNVBAGLBSA-N	0	0	300.336	0.880	10	5		DCBERN
CC[S@@](=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000733898971	666824366	/nfs/dbraw/zinc/82/43/66/666824366.db2.gz	AOKDZLBJFMTTAI-GOSISDBHSA-N	0	0	306.365	0.642	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCS(C)(=O)=O	ZINC000171105489	664602768	/nfs/dbraw/zinc/60/27/68/664602768.db2.gz	IOUJNMRZOPJBEB-UHFFFAOYSA-N	0	0	301.324	0.415	10	5		DCBERN
CC[S@](=O)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000733964557	666832676	/nfs/dbraw/zinc/83/26/76/666832676.db2.gz	QLTOQZAQUKRAMT-NRFANRHFSA-N	0	0	314.319	0.822	10	5		DCBERN
CC[S@](=O)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000733963573	666832807	/nfs/dbraw/zinc/83/28/07/666832807.db2.gz	SOUIWUGIJZYIMB-FQEVSTJZSA-N	0	0	302.356	0.411	10	5		DCBERN
CC[S@](=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000735079973	666947364	/nfs/dbraw/zinc/94/73/64/666947364.db2.gz	IACWFOACEKPLSL-IBGZPJMESA-N	0	0	320.392	0.950	10	5		DCBERN
C[C@@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H](C(N)=O)O1	ZINC000120171725	667274216	/nfs/dbraw/zinc/27/42/16/667274216.db2.gz	VVTGOFZDBUSKLL-NOZJJQNGSA-N	0	0	319.321	0.477	10	5		DCBERN
CC[C@@H](CO)N1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1	ZINC000131245559	669663860	/nfs/dbraw/zinc/66/38/60/669663860.db2.gz	WYLNXAYOSLPEQE-LBPRGKRZSA-N	0	0	322.365	0.706	10	5		DCBERN
COC(=O)C1(O)CN(Cc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000714504719	670190119	/nfs/dbraw/zinc/19/01/19/670190119.db2.gz	TUAKBJUVFPTCSX-UHFFFAOYSA-N	0	0	300.698	0.968	10	5		DCBERN
Cc1cnn(C[C@@H]2CN(Cn3cc([N+](=O)[O-])cn3)CCO2)c1	ZINC000112072053	670539070	/nfs/dbraw/zinc/53/90/70/670539070.db2.gz	IIQGEGQMOBSXPI-ZDUSSCGKSA-N	0	0	306.326	0.655	10	5		DCBERN
CCS(=O)(=O)N1CCN(c2ccncc2[N+](=O)[O-])CC1	ZINC000066811449	1173765279	/nfs/dbraw/zinc/76/52/79/1173765279.db2.gz	DPQYECQJIKLOES-UHFFFAOYSA-N	0	0	300.340	0.462	10	5		DCBERN
CCc1nn(C)c(NC2CCS(=O)(=O)CC2)c1[N+](=O)[O-]	ZINC000091561257	1175507033	/nfs/dbraw/zinc/50/70/33/1175507033.db2.gz	ZUCOWOPPPIYYFR-UHFFFAOYSA-N	0	0	302.356	0.880	10	5		DCBERN
CNC(=O)[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(C)C	ZINC000178852671	529896119	/nfs/dbraw/zinc/89/61/19/529896119.db2.gz	NUIWHIDIZSUWFD-ZDUSSCGKSA-N	0	0	309.322	0.860	10	5		DCBERN
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H](C)CO)cc1[N+](=O)[O-]	ZINC000177798843	198779336	/nfs/dbraw/zinc/77/93/36/198779336.db2.gz	MXVHRRVIMOPDEQ-NXEZZACHSA-N	0	0	309.322	0.975	10	5		DCBERN
O=[N+]([O-])c1ccc(OC[C@@H](O)CN2CCOCC2)c(F)c1	ZINC000153906846	237026444	/nfs/dbraw/zinc/02/64/44/237026444.db2.gz	KBGOAQZATLNVDU-NSHDSACASA-N	0	0	300.286	0.806	10	5		DCBERN
CC(C)(NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(N)=O	ZINC000157691918	291228944	/nfs/dbraw/zinc/22/89/44/291228944.db2.gz	IMXVJPILTQFJCJ-UHFFFAOYSA-N	0	0	317.305	0.774	10	5		DCBERN
C[C@H](CO)CSc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000091547857	193071491	/nfs/dbraw/zinc/07/14/91/193071491.db2.gz	GCKIBDQJDGNJLX-SSDOTTSWSA-N	0	0	306.365	0.963	10	5		DCBERN
O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N2CCOC[C@@H]12	ZINC000193043897	284914310	/nfs/dbraw/zinc/91/43/10/284914310.db2.gz	ZLLBTZKZDYKGIM-WDEREUQCSA-N	0	0	308.250	0.332	10	5		DCBERN
COC(=O)CC1(NC(=O)Cn2cc([N+](=O)[O-])cn2)CCCC1	ZINC000193906174	395781759	/nfs/dbraw/zinc/78/17/59/395781759.db2.gz	WWKAHGCRYSPDIQ-UHFFFAOYSA-N	0	0	310.310	0.783	10	5		DCBERN
CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000116832993	395847025	/nfs/dbraw/zinc/84/70/25/395847025.db2.gz	ZUMVKJMBUVJAHK-SECBINFHSA-N	0	0	313.335	0.359	10	5		DCBERN
C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1N1CCOCC1	ZINC000122653147	395887917	/nfs/dbraw/zinc/88/79/17/395887917.db2.gz	GAKJVVXZZYATBM-GXSJLCMTSA-N	0	0	309.326	0.111	10	5		DCBERN
Cc1cc(C(=O)NCC(=O)N[C@H](C)[C@H](C)CO)ccc1[N+](=O)[O-]	ZINC000183971286	396279081	/nfs/dbraw/zinc/27/90/81/396279081.db2.gz	OXWFVBRQZKSQKY-GHMZBOCLSA-N	0	0	323.349	0.766	10	5		DCBERN
COc1cccc(NC[C@@H](O)CN2CCOCC2)c1[N+](=O)[O-]	ZINC000185115008	396317308	/nfs/dbraw/zinc/31/73/08/396317308.db2.gz	VAWFAGAKJFDVGM-LLVKDONJSA-N	0	0	311.338	0.708	10	5		DCBERN
NC(=O)c1ccc(CN2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])c1	ZINC000185147154	396319764	/nfs/dbraw/zinc/31/97/64/396319764.db2.gz	WEZSVBRYLDYQJR-OAHLLOKOSA-N	0	0	321.333	0.685	10	5		DCBERN
CC[C@@H](CO)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1	ZINC000184512689	396297599	/nfs/dbraw/zinc/29/75/99/396297599.db2.gz	RREKKSFALGIFRA-NSHDSACASA-N	0	0	322.365	0.706	10	5		DCBERN
C[C@@]1(C(N)=O)CCCCN1CCn1cc([N+](=O)[O-])ccc1=O	ZINC000185974007	396338169	/nfs/dbraw/zinc/33/81/69/396338169.db2.gz	BMNJTGPWHZBJTA-AWEZNQCLSA-N	0	0	308.338	0.486	10	5		DCBERN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c1	ZINC000185793231	396335301	/nfs/dbraw/zinc/33/53/01/396335301.db2.gz	AMEHQWSDFQAZLP-SECBINFHSA-N	0	0	323.334	0.480	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@@]2(CCOC2)C1	ZINC000186099466	396341081	/nfs/dbraw/zinc/34/10/81/396341081.db2.gz	CWZABMXENVTLIG-ZDUSSCGKSA-N	0	0	310.310	0.118	10	5		DCBERN
COC(=O)c1cnc(NCCCn2ccnn2)c([N+](=O)[O-])c1	ZINC000189383162	396394197	/nfs/dbraw/zinc/39/41/97/396394197.db2.gz	MIUSBVWUORVBFR-UHFFFAOYSA-N	0	0	306.282	0.870	10	5		DCBERN
CN1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1=O	ZINC000190372579	396405980	/nfs/dbraw/zinc/40/59/80/396405980.db2.gz	MZSRNPCFQQCCRX-UHFFFAOYSA-N	0	0	317.305	0.775	10	5		DCBERN
O=C([C@@H]1C[C@@H](F)CN1c1ncccc1[N+](=O)[O-])N1CCOCC1	ZINC000585786810	396654746	/nfs/dbraw/zinc/65/47/46/396654746.db2.gz	XWNXBYDNSHPTFB-PWSUYJOCSA-N	0	0	324.312	0.765	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC(n2ccnn2)C1	ZINC000374846755	396691621	/nfs/dbraw/zinc/69/16/21/396691621.db2.gz	PHEWHWQJHGWYLB-UHFFFAOYSA-N	0	0	318.249	0.792	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000596433532	396774575	/nfs/dbraw/zinc/77/45/75/396774575.db2.gz	HKOVZQTYWNWWIY-KOLCDFICSA-N	0	0	304.299	0.958	10	5		DCBERN
CCOC(=O)c1ccnc(NCc2cn(C)nn2)c1[N+](=O)[O-]	ZINC000611930567	396950519	/nfs/dbraw/zinc/95/05/19/396950519.db2.gz	WBILVRBMWMJIBY-UHFFFAOYSA-N	0	0	306.282	0.907	10	5		DCBERN
Cn1cc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)nn1	ZINC000611945856	396955853	/nfs/dbraw/zinc/95/58/53/396955853.db2.gz	FOWWXVWQJYCCHS-UHFFFAOYSA-N	0	0	314.305	0.994	10	5		DCBERN
Cn1cc(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)nn1	ZINC000611946367	396956037	/nfs/dbraw/zinc/95/60/37/396956037.db2.gz	SSLXCDYDSRYFON-UHFFFAOYSA-N	0	0	319.277	0.425	10	5		DCBERN
CCN1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C1=O	ZINC000619802583	397194742	/nfs/dbraw/zinc/19/47/42/397194742.db2.gz	KAFKUDBBMANQFQ-SNVBAGLBSA-N	0	0	307.306	0.954	10	5		DCBERN
NC(=O)c1cc([N+](=O)[O-])cn(Cc2cn3ccsc3n2)c1=O	ZINC000064313957	158033212	/nfs/dbraw/zinc/03/32/12/158033212.db2.gz	BESYUAFHTNZQEX-UHFFFAOYSA-N	0	0	319.302	0.613	10	5		DCBERN
CN1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1=O	ZINC000190360693	158559332	/nfs/dbraw/zinc/55/93/32/158559332.db2.gz	DBRPCKNTDZZJJZ-UHFFFAOYSA-N	0	0	310.285	0.620	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCC(=O)N2CCCCC2)n1	ZINC000191546636	158569035	/nfs/dbraw/zinc/56/90/35/158569035.db2.gz	DNILWINZHBCJJY-UHFFFAOYSA-N	0	0	323.353	0.944	10	5		DCBERN
Cn1cnc([N+](=O)[O-])c1N1CCC[C@@](O)(C(=O)N2CCCC2)C1	ZINC000408037144	160019024	/nfs/dbraw/zinc/01/90/24/160019024.db2.gz	ZBOQLXZRLZNJHB-AWEZNQCLSA-N	0	0	323.353	0.282	10	5		DCBERN
Cn1cnc([N+](=O)[O-])c1CN1CCS(=O)(=O)C(C)(C)C1	ZINC000408247984	160069254	/nfs/dbraw/zinc/06/92/54/160069254.db2.gz	ZXYMORJBBRGWOY-UHFFFAOYSA-N	0	0	302.356	0.337	10	5		DCBERN
O=[N+]([O-])c1cnc(NCCCN2CCCS2(=O)=O)nc1	ZINC000612781552	412429505	/nfs/dbraw/zinc/42/95/05/412429505.db2.gz	ZUZIDYJSOFPYED-UHFFFAOYSA-N	0	0	301.328	0.222	10	5		DCBERN
C[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC(=O)N1C	ZINC000286397820	415628333	/nfs/dbraw/zinc/62/83/33/415628333.db2.gz	JOUQOMLAEOJZGS-QMMMGPOBSA-N	0	0	317.305	0.911	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)CS(C)(=O)=O	ZINC000112192291	415709490	/nfs/dbraw/zinc/70/94/90/415709490.db2.gz	OAZVMTIFFIEGHN-MRVPVSSYSA-N	0	0	315.351	0.803	10	5		DCBERN
CN1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCC1=O	ZINC000134115646	415953810	/nfs/dbraw/zinc/95/38/10/415953810.db2.gz	YJECSIGVCJFHID-JTQLQIEISA-N	0	0	307.306	0.711	10	5		DCBERN
Cn1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(=O)n(C)c1=O	ZINC000173086031	416052998	/nfs/dbraw/zinc/05/29/98/416052998.db2.gz	KOXLEGZLSBFQGR-UHFFFAOYSA-N	0	0	318.289	0.173	10	5		DCBERN
NCC(F)(F)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000162673632	416015579	/nfs/dbraw/zinc/01/55/79/416015579.db2.gz	ULIROMIUIKMGIG-UHFFFAOYSA-N	0	0	310.282	0.248	10	5		DCBERN
NC(=O)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000301474927	416083301	/nfs/dbraw/zinc/08/33/01/416083301.db2.gz	NEABNWJCKSNLQF-VIFPVBQESA-N	0	0	306.322	0.786	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](CO)SC)n1	ZINC000191854131	416292202	/nfs/dbraw/zinc/29/22/02/416292202.db2.gz	RUPCMOABMLTKHS-CBAPKCEASA-N	0	0	302.356	0.653	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](CO)SC)n1	ZINC000191854118	416292251	/nfs/dbraw/zinc/29/22/51/416292251.db2.gz	RUPCMOABMLTKHS-VXNVDRBHSA-N	0	0	302.356	0.653	10	5		DCBERN
COCCN(CCO)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443765600	416781075	/nfs/dbraw/zinc/78/10/75/416781075.db2.gz	SJJXSLRLQMKYRF-UHFFFAOYSA-N	0	0	318.351	0.365	10	5		DCBERN
Cn1cc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)nn1	ZINC000615713035	416893748	/nfs/dbraw/zinc/89/37/48/416893748.db2.gz	LLWHSHBDGNUGGO-UHFFFAOYSA-N	0	0	311.323	0.739	10	5		DCBERN
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])[C@@H]2C1	ZINC000408093012	417140142	/nfs/dbraw/zinc/14/01/42/417140142.db2.gz	MTRPRXGHYHAHKQ-ZIAGYGMSSA-N	0	0	321.333	0.846	10	5		DCBERN
CC(=O)N1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1	ZINC000569582833	417267559	/nfs/dbraw/zinc/26/75/59/417267559.db2.gz	BWVJCYVDYBMKFA-VIFPVBQESA-N	0	0	307.310	0.170	10	5		DCBERN
CCOC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC12COC2	ZINC000452620709	417492318	/nfs/dbraw/zinc/49/23/18/417492318.db2.gz	ZGQMZGAZDTYIEP-JTQLQIEISA-N	0	0	323.305	0.575	10	5		DCBERN
CN(C(=O)Cn1cnc([N+](=O)[O-])n1)c1cnc2ccccc2n1	ZINC000362166001	262005350	/nfs/dbraw/zinc/00/53/50/262005350.db2.gz	WWAFQJPYSVYSSX-UHFFFAOYSA-N	0	0	313.277	0.793	10	5		DCBERN
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](C(=O)C2CC2)C1	ZINC000548719261	288170273	/nfs/dbraw/zinc/17/02/73/288170273.db2.gz	UGAWXVHCAPNPDI-SNVBAGLBSA-N	0	0	308.294	0.148	10	5		DCBERN
CN(C)C(=O)C1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1	ZINC000057364317	281902242	/nfs/dbraw/zinc/90/22/42/281902242.db2.gz	QXUIQHOVJCBSKU-UHFFFAOYSA-N	0	0	320.349	0.998	10	5		DCBERN
COc1cc(C(=O)NC[C@@H]2CN(C)CCO2)cc([N+](=O)[O-])c1C	ZINC000190746677	522118398	/nfs/dbraw/zinc/11/83/98/522118398.db2.gz	JAHYHFUOTSQKIS-GFCCVEGCSA-N	0	0	323.349	0.972	10	5		DCBERN
COCCNC(=O)CNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1	ZINC000184925336	523893902	/nfs/dbraw/zinc/89/39/02/523893902.db2.gz	WNPSUSDKBYNXKM-PKNBQFBNSA-N	0	0	321.333	0.877	10	5		DCBERN
O=C([C@@H]1CNC(=O)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000188460847	526490997	/nfs/dbraw/zinc/49/09/97/526490997.db2.gz	CFPCCWSVUDAXEQ-VIFPVBQESA-N	0	0	305.290	0.321	10	5		DCBERN
NC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)CC2CCCC2)c1=O	ZINC000191286789	527035224	/nfs/dbraw/zinc/03/52/24/527035224.db2.gz	OCIJANHARAYNHS-LLVKDONJSA-N	0	0	309.322	0.797	10	5		DCBERN
O=C(Cc1cccc([N+](=O)[O-])c1)N1CC(NC(=O)C2CC2)C1	ZINC000189444050	527271203	/nfs/dbraw/zinc/27/12/03/527271203.db2.gz	DYHNOLFNNRGPEQ-UHFFFAOYSA-N	0	0	303.318	0.874	10	5		DCBERN
C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000255557483	658725132	/nfs/dbraw/zinc/72/51/32/658725132.db2.gz	OACRBJCGRPVFNZ-QMMMGPOBSA-N	0	0	305.298	0.414	10	5		DCBERN
Cc1nn(CN2CCS(=O)(=O)[C@H](C)C2)c(C)c1[N+](=O)[O-]	ZINC000151610704	664708929	/nfs/dbraw/zinc/70/89/29/664708929.db2.gz	AXBQFZMEIALWDH-MRVPVSSYSA-N	0	0	302.356	0.485	10	5		DCBERN
CC(=O)N1CSC[C@@H]1c1nc(-c2c([N+](=O)[O-])ncn2C)no1	ZINC000350885417	664739473	/nfs/dbraw/zinc/73/94/73/664739473.db2.gz	DBNWUNWTLPIACM-SSDOTTSWSA-N	0	0	324.322	0.972	10	5		DCBERN
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N1CCNC(=O)C1	ZINC000078480198	670050698	/nfs/dbraw/zinc/05/06/98/670050698.db2.gz	CIMLWRZMMHLTCD-SNVBAGLBSA-N	0	0	318.333	0.304	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cc[nH]n1	ZINC000041017116	1157355561	/nfs/dbraw/zinc/35/55/61/1157355561.db2.gz	YETHERABZIPPKQ-UHFFFAOYSA-N	0	0	312.307	0.805	10	5		DCBERN
NS(=O)(=O)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000036745715	1157434573	/nfs/dbraw/zinc/43/45/73/1157434573.db2.gz	XWMANZFFELPIIN-UHFFFAOYSA-N	0	0	307.715	0.267	10	5		DCBERN
COCCn1ccc2ncc3c(ccn(CCO)c3=O)c2c1=O	ZINC000072452786	191171698	/nfs/dbraw/zinc/17/16/98/191171698.db2.gz	YIKIBBIVNBHWJR-UHFFFAOYSA-N	0	0	315.329	0.350	10	5		DCBERN
O=[N+]([O-])c1cnn(CCN2CCO[C@H](Cn3cccn3)C2)c1	ZINC000174850857	198392993	/nfs/dbraw/zinc/39/29/93/198392993.db2.gz	KKKDIFCXNJYJJF-ZDUSSCGKSA-N	0	0	306.326	0.389	10	5		DCBERN
O=[N+]([O-])c1cccc(-c2noc(CN3C[C@@H](O)C[C@@H]3CO)n2)c1	ZINC000179174933	198994022	/nfs/dbraw/zinc/99/40/22/198994022.db2.gz	OHYUPUXPQNDETL-NEPJUHHUSA-N	0	0	320.305	0.572	10	5		DCBERN
CC[C@@H](NC(=O)Cn1ncn(C)c1=O)c1cccc([N+](=O)[O-])c1	ZINC000179537516	199052793	/nfs/dbraw/zinc/05/27/93/199052793.db2.gz	RRZMFGPMWMHEBQ-GFCCVEGCSA-N	0	0	319.321	0.758	10	5		DCBERN
C[C@@H](CO)CSc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000091547856	193071872	/nfs/dbraw/zinc/07/18/72/193071872.db2.gz	GCKIBDQJDGNJLX-ZETCQYMHSA-N	0	0	306.365	0.963	10	5		DCBERN
CC(=O)N1CCC(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1	ZINC000104660482	194022665	/nfs/dbraw/zinc/02/26/65/194022665.db2.gz	AAXDYSXSHGYFOG-UHFFFAOYSA-N	0	0	321.337	0.759	10	5		DCBERN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC[C@@H]1CN1CCOCC1	ZINC000123191866	296301895	/nfs/dbraw/zinc/30/18/95/296301895.db2.gz	NMSQDHLSUPVFJV-LLVKDONJSA-N	0	0	323.353	0.645	10	5		DCBERN
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@H]2C1	ZINC000284885793	131119080	/nfs/dbraw/zinc/11/90/80/131119080.db2.gz	GFARHSSAVGQZCQ-QWHCGFSZSA-N	0	0	320.349	0.722	10	5		DCBERN
C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O	ZINC000121879536	132160283	/nfs/dbraw/zinc/16/02/83/132160283.db2.gz	DEWTXRXRLSCKPI-JTQLQIEISA-N	0	0	312.347	0.783	10	5		DCBERN
C[C@H](O)CN1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1C	ZINC000248397964	395986307	/nfs/dbraw/zinc/98/63/07/395986307.db2.gz	IMZHSVSCMDNXPV-QWRGUYRKSA-N	0	0	323.353	0.909	10	5		DCBERN
Cc1sc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)cc1[N+](=O)[O-]	ZINC000171032936	396104859	/nfs/dbraw/zinc/10/48/59/396104859.db2.gz	JPNOUDNYGGDSSN-VIFPVBQESA-N	0	0	323.330	0.984	10	5		DCBERN
Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN(C2CC2)CCO1	ZINC000184410198	396294135	/nfs/dbraw/zinc/29/41/35/396294135.db2.gz	BKILTKAVUNNTEW-GFCCVEGCSA-N	0	0	320.349	0.770	10	5		DCBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](C(N)=O)C1	ZINC000185698819	396333057	/nfs/dbraw/zinc/33/30/57/396333057.db2.gz	CTQZIBDDGLLJRP-FROQITRMSA-N	0	0	319.317	0.711	10	5		DCBERN
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)[C@@H]2C1	ZINC000285987694	396367687	/nfs/dbraw/zinc/36/76/87/396367687.db2.gz	YDCOTTOPJQXPHQ-ZIAGYGMSSA-N	0	0	321.333	0.846	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N(CCO)CC(F)F)s1	ZINC000193039307	396442475	/nfs/dbraw/zinc/44/24/75/396442475.db2.gz	PRXMPBIAUAESKS-UHFFFAOYSA-N	0	0	316.307	0.904	10	5		DCBERN
O=C1NCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000594791758	396515934	/nfs/dbraw/zinc/51/59/34/396515934.db2.gz	OIRULARSEXWKCT-MRVPVSSYSA-N	0	0	319.726	0.415	10	5		DCBERN
O=[N+]([O-])c1ccc(OCCN2CCN3CCOC[C@H]3C2)cc1	ZINC000371827991	396477887	/nfs/dbraw/zinc/47/78/87/396477887.db2.gz	CCZZXUXCZLUGKE-CQSZACIVSA-N	0	0	307.350	0.990	10	5		DCBERN
CCC[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)OCC	ZINC000580154384	396489547	/nfs/dbraw/zinc/48/95/47/396489547.db2.gz	QLYAWRAMDBUVFB-VIFPVBQESA-N	0	0	313.314	0.282	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000596433533	396775028	/nfs/dbraw/zinc/77/50/28/396775028.db2.gz	HKOVZQTYWNWWIY-MWLCHTKSSA-N	0	0	304.299	0.958	10	5		DCBERN
Cc1nnc(CN2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)[nH]1	ZINC000611431254	396867320	/nfs/dbraw/zinc/86/73/20/396867320.db2.gz	FDGDNPHHFFNLMI-UHFFFAOYSA-N	0	0	320.357	0.036	10	5		DCBERN
CCN1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1=O	ZINC000619825637	397197996	/nfs/dbraw/zinc/19/79/96/397197996.db2.gz	VRIGVIIOLCKTKG-VIFPVBQESA-N	0	0	310.285	0.667	10	5		DCBERN
CCc1nn(C)c(N[C@H]2CCCN(CCO)C2=O)c1[N+](=O)[O-]	ZINC000578768544	397482829	/nfs/dbraw/zinc/48/28/29/397482829.db2.gz	COURWKMPMVRAGP-JTQLQIEISA-N	0	0	311.342	0.286	10	5		DCBERN
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCNC(=O)CC1	ZINC000065903077	158034923	/nfs/dbraw/zinc/03/49/23/158034923.db2.gz	NXACHGSCNUDNMK-UHFFFAOYSA-N	0	0	306.322	0.623	10	5		DCBERN
O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCc2ncnn2C1	ZINC000112653923	158143653	/nfs/dbraw/zinc/14/36/53/158143653.db2.gz	WXUFICBVBDDXBA-NSHDSACASA-N	0	0	301.306	0.860	10	5		DCBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000127802576	158275784	/nfs/dbraw/zinc/27/57/84/158275784.db2.gz	RDLMWKATPKTSEJ-SMDDNHRTSA-N	0	0	308.338	0.945	10	5		DCBERN
NC(=O)c1ccc(NC[C@@]2(CCO)CCOC2)c([N+](=O)[O-])c1	ZINC000131686186	158304277	/nfs/dbraw/zinc/30/42/77/158304277.db2.gz	SEMRHXZXNPVBHT-CQSZACIVSA-N	0	0	309.322	0.895	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CS(C)(=O)=O	ZINC000172008915	158389586	/nfs/dbraw/zinc/38/95/86/158389586.db2.gz	PTQWQIQNQYPSKV-SSDOTTSWSA-N	0	0	301.324	0.461	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCNC(=O)[C@@H]1C	ZINC000189245865	158551240	/nfs/dbraw/zinc/55/12/40/158551240.db2.gz	OTRJHCBKPWWNCM-VIFPVBQESA-N	0	0	307.306	0.954	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@](O)(C(F)(F)F)C1	ZINC000408073015	160029236	/nfs/dbraw/zinc/02/92/36/160029236.db2.gz	PIBCHQFBZIHGCE-SECBINFHSA-N	0	0	308.216	0.847	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)n1	ZINC000408095747	160035124	/nfs/dbraw/zinc/03/51/24/160035124.db2.gz	PVFIHZNSCZVTET-JTQLQIEISA-N	0	0	322.243	0.858	10	5		DCBERN
O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1	ZINC000174857576	416087895	/nfs/dbraw/zinc/08/78/95/416087895.db2.gz	OPMLSTPPLCSGEO-AWEZNQCLSA-N	0	0	323.397	0.978	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1Cc2ccccc2[C@H]1O	ZINC000178686426	416169505	/nfs/dbraw/zinc/16/95/05/416169505.db2.gz	GCPJTDRLOVYGLQ-GXTWGEPZSA-N	0	0	302.290	0.566	10	5		DCBERN
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191579283	416287536	/nfs/dbraw/zinc/28/75/36/416287536.db2.gz	DXNATRBZWHZUSO-DTWKUNHWSA-N	0	0	311.342	0.844	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)n1	ZINC000191775951	416288034	/nfs/dbraw/zinc/28/80/34/416288034.db2.gz	MFFHZMQJRCVPKU-DTWKUNHWSA-N	0	0	309.326	0.537	10	5		DCBERN
CNC(=O)CN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443694227	416774755	/nfs/dbraw/zinc/77/47/55/416774755.db2.gz	QGMPSZJTMAVHFT-UHFFFAOYSA-N	0	0	301.324	0.102	10	5		DCBERN
Cc1n[nH]c(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-]	ZINC000408028465	417132898	/nfs/dbraw/zinc/13/28/98/417132898.db2.gz	DTJAFGDALRBTLO-UWVGGRQHSA-N	0	0	309.326	0.171	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1	ZINC000362364147	262026382	/nfs/dbraw/zinc/02/63/82/262026382.db2.gz	SSHXQQZGWFZLNB-CMPLNLGQSA-N	0	0	321.337	0.746	10	5		DCBERN
Cc1nn(CCC(=O)NC[C@@H](CO)C2CC2)c(C)c1[N+](=O)[O-]	ZINC000358321011	271049695	/nfs/dbraw/zinc/04/96/95/271049695.db2.gz	OVZQEVSXOHDYQY-LBPRGKRZSA-N	0	0	310.354	0.933	10	5		DCBERN
O=C(C1CC1)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1	ZINC000536596137	287858580	/nfs/dbraw/zinc/85/85/80/287858580.db2.gz	FOAIMGQEZIQJJJ-UHFFFAOYSA-N	0	0	316.321	0.696	10	5		DCBERN
NC(=O)c1ccc(CSCCOCCO)c([N+](=O)[O-])c1	ZINC000545888503	288004461	/nfs/dbraw/zinc/00/44/61/288004461.db2.gz	XJDAAEJHPUSLLK-UHFFFAOYSA-N	0	0	300.336	0.936	10	5		DCBERN
CCc1n[nH]c(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-]	ZINC000378008876	281362947	/nfs/dbraw/zinc/36/29/47/281362947.db2.gz	RGBLMQXZIOCGHK-VHSXEESVSA-N	0	0	309.326	0.035	10	5		DCBERN
O=C(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1c[nH]nc1[N+](=O)[O-]	ZINC000555346364	288349555	/nfs/dbraw/zinc/34/95/55/288349555.db2.gz	CLPWJHPKYWKJEK-ONGXEEELSA-N	0	0	324.337	0.615	10	5		DCBERN
CN1CCO[C@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@@H]21	ZINC000152953075	290115323	/nfs/dbraw/zinc/11/53/23/290115323.db2.gz	YOJUVEFHGFHINC-RYUDHWBXSA-N	0	0	323.353	0.068	10	5		DCBERN
CN1CCO[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21	ZINC000151913573	290119290	/nfs/dbraw/zinc/11/92/90/290119290.db2.gz	OMWLWPDARKXCAC-STQMWFEESA-N	0	0	309.297	0.889	10	5		DCBERN
CC[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)OC(C)(C)C	ZINC000582521696	337100316	/nfs/dbraw/zinc/10/03/16/337100316.db2.gz	YXJREQULQBTUJW-MRVPVSSYSA-N	0	0	313.314	0.423	10	5		DCBERN
COCCOc1nc(N2CCN(C(C)=O)CC2)ccc1[N+](=O)[O-]	ZINC000584603545	337371115	/nfs/dbraw/zinc/37/11/15/337371115.db2.gz	CLLKGHOGIRZPLV-UHFFFAOYSA-N	0	0	324.337	0.684	10	5		DCBERN
CC(=O)NC1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000191729741	519649567	/nfs/dbraw/zinc/64/95/67/519649567.db2.gz	GUBQJJRKISDNGE-GFCCVEGCSA-N	0	0	309.322	0.155	10	5		DCBERN
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)CO	ZINC000228410369	521918319	/nfs/dbraw/zinc/91/83/19/521918319.db2.gz	NFGFOBMQKXECRO-ZETCQYMHSA-N	0	0	318.307	0.041	10	5		DCBERN
COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc([N+](=O)[O-])cc1C	ZINC000183228949	523282650	/nfs/dbraw/zinc/28/26/50/523282650.db2.gz	XBQHTBLLISSRHI-CYBMUJFWSA-N	0	0	321.333	0.767	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1C[C@H](O)[C@@H](CO)C1	ZINC000317617537	661098817	/nfs/dbraw/zinc/09/88/17/661098817.db2.gz	GZYCXNBOQQTKHS-HQJQHLMTSA-N	0	0	300.698	0.673	10	5		DCBERN
CO[C@@]1(CNCc2csc([N+](=O)[O-])c2)CCS(=O)(=O)C1	ZINC000721267618	663380133	/nfs/dbraw/zinc/38/01/33/663380133.db2.gz	PJTSJEUDJUVRPM-LLVKDONJSA-N	0	0	320.392	0.950	10	5		DCBERN
O=[N+]([O-])c1cnc(N2CCOC[C@@H]2CO)c(Br)c1	ZINC000168726151	664530677	/nfs/dbraw/zinc/53/06/77/664530677.db2.gz	KJJRCFPXZVYTFK-QMMMGPOBSA-N	0	0	318.127	0.950	10	5		DCBERN
CC[S@@](=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000735079976	666947223	/nfs/dbraw/zinc/94/72/23/666947223.db2.gz	IACWFOACEKPLSL-LJQANCHMSA-N	0	0	320.392	0.950	10	5		DCBERN
COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCS(C)(=O)=O)c1	ZINC000136302113	667717002	/nfs/dbraw/zinc/71/70/02/667717002.db2.gz	RSZWJJDSVJBMAH-UHFFFAOYSA-N	0	0	316.335	0.862	10	5		DCBERN
CNC(=O)CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC000050709467	1171737351	/nfs/dbraw/zinc/73/73/51/1171737351.db2.gz	KBBQHCJOWMIEMR-UHFFFAOYSA-N	0	0	300.702	0.696	10	5		DCBERN
O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCC[C@@H]2O)cc1	ZINC000178658954	773945417	/nfs/dbraw/zinc/94/54/17/773945417.db2.gz	GSOIZTUJTJDGKF-RYUDHWBXSA-N	0	0	300.336	0.928	10	5		DCBERN
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CCN1CCO	ZINC000187271303	200086929	/nfs/dbraw/zinc/08/69/29/200086929.db2.gz	ZHIWOAAONSFNOI-JTQLQIEISA-N	0	0	311.313	0.873	10	5		DCBERN
C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCN1CCO	ZINC000187302953	200090690	/nfs/dbraw/zinc/09/06/90/200090690.db2.gz	LVKMAJOBRCDMEZ-JTQLQIEISA-N	0	0	308.338	0.316	10	5		DCBERN
COC(=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000040419767	183064037	/nfs/dbraw/zinc/06/40/37/183064037.db2.gz	HLVVEQQAWIGMQY-UHFFFAOYSA-N	0	0	318.307	0.445	10	5		DCBERN
O=C1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCN1	ZINC000062099142	184205841	/nfs/dbraw/zinc/20/58/41/184205841.db2.gz	SRVGXHXNLTXYKA-UHFFFAOYSA-N	0	0	313.335	0.247	10	5		DCBERN
C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])S(N)(=O)=O	ZINC000350627753	254321081	/nfs/dbraw/zinc/32/10/81/254321081.db2.gz	FQYZIBDTVFGWRL-ZCFIWIBFSA-N	0	0	321.742	0.655	10	5		DCBERN
CO[C@H]1C[C@H](c2nc(C)no2)N(c2ncc([N+](=O)[O-])c(N)n2)C1	ZINC000275339578	130305938	/nfs/dbraw/zinc/30/59/38/130305938.db2.gz	RNLXRRZDYKXXMN-JGVFFNPUSA-N	0	0	321.297	0.625	10	5		DCBERN
O=C(CN1CCNC(=O)CC1)N1CCc2ccc([N+](=O)[O-])cc21	ZINC000042570398	395746470	/nfs/dbraw/zinc/74/64/70/395746470.db2.gz	JOBQYJKYHLOBCD-UHFFFAOYSA-N	0	0	318.333	0.306	10	5		DCBERN
O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)C2O	ZINC000193733835	395778078	/nfs/dbraw/zinc/77/80/78/395778078.db2.gz	IFJFYTNOIBLSBX-USUYBEQLSA-N	0	0	307.306	0.928	10	5		DCBERN
CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000116832995	395846973	/nfs/dbraw/zinc/84/69/73/395846973.db2.gz	ZUMVKJMBUVJAHK-VIFPVBQESA-N	0	0	313.335	0.359	10	5		DCBERN
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@H]2c2nc[nH]n2)c1	ZINC000245556172	395932171	/nfs/dbraw/zinc/93/21/71/395932171.db2.gz	IUMLDQGBHYAARM-RYUDHWBXSA-N	0	0	321.341	0.498	10	5		DCBERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])CC2	ZINC000153963252	396027955	/nfs/dbraw/zinc/02/79/55/396027955.db2.gz	MUTKWVDZWRKVLZ-QMMMGPOBSA-N	0	0	319.325	0.778	10	5		DCBERN
Cc1cc(C(=O)NC[C@H](O)CN2CCOCC2)ccc1[N+](=O)[O-]	ZINC000154110420	396031127	/nfs/dbraw/zinc/03/11/27/396031127.db2.gz	JIUVTTDYDAPGKR-ZDUSSCGKSA-N	0	0	323.349	0.326	10	5		DCBERN
Cc1nn(CCC(=O)NCCCn2ccnn2)c(C)c1[N+](=O)[O-]	ZINC000182955070	396257742	/nfs/dbraw/zinc/25/77/42/396257742.db2.gz	YVBKTBLMJOJHGG-UHFFFAOYSA-N	0	0	321.341	0.596	10	5		DCBERN
COCCN1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1C	ZINC000184671768	396301421	/nfs/dbraw/zinc/30/14/21/396301421.db2.gz	ZEOKGYIGXAGVSI-SNVBAGLBSA-N	0	0	323.353	0.365	10	5		DCBERN
CC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC	ZINC000267923418	396358338	/nfs/dbraw/zinc/35/83/38/396358338.db2.gz	QVGHUQDTJMEAFN-MRVPVSSYSA-N	0	0	302.308	0.825	10	5		DCBERN
CN1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O	ZINC000191159949	396416880	/nfs/dbraw/zinc/41/68/80/396416880.db2.gz	LRNNHCSVBFECJM-CYBMUJFWSA-N	0	0	323.349	0.499	10	5		DCBERN
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCOCC1CCC1	ZINC000562280569	396655773	/nfs/dbraw/zinc/65/57/73/396655773.db2.gz	APEUGCVAUOYPEZ-UHFFFAOYSA-N	0	0	309.322	0.689	10	5		DCBERN
C[C@@H]1CCOCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000375004759	396703740	/nfs/dbraw/zinc/70/37/40/396703740.db2.gz	LBVZIIIOAWJOLN-LLVKDONJSA-N	0	0	321.333	0.962	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C)n1	ZINC000596437588	396777336	/nfs/dbraw/zinc/77/73/36/396777336.db2.gz	WXWHDDUICXSGLX-WPRPVWTQSA-N	0	0	301.324	0.522	10	5		DCBERN
CCc1nn(C)c(N(C)C[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000611281293	396849973	/nfs/dbraw/zinc/84/99/73/396849973.db2.gz	DZXQRGDATDJOGE-SECBINFHSA-N	0	0	316.383	0.762	10	5		DCBERN
Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C2CC2)C(=O)C1	ZINC000611528676	396882281	/nfs/dbraw/zinc/88/22/81/396882281.db2.gz	GDWCRFNEMYHQDB-UHFFFAOYSA-N	0	0	304.306	0.624	10	5		DCBERN
Cn1cc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])nn1	ZINC000611946867	396955809	/nfs/dbraw/zinc/95/58/09/396955809.db2.gz	DRUKLQYTNYDAOC-UHFFFAOYSA-N	0	0	304.310	0.842	10	5		DCBERN
CCN1CC[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C1=O	ZINC000619801773	397195067	/nfs/dbraw/zinc/19/50/67/397195067.db2.gz	ODFUVPBVVMFBGM-JTQLQIEISA-N	0	0	307.306	0.954	10	5		DCBERN
COC(=O)C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCO1	ZINC000378360837	397232736	/nfs/dbraw/zinc/23/27/36/397232736.db2.gz	PCSZKNODSHAXEZ-SECBINFHSA-N	0	0	321.293	0.406	10	5		DCBERN
CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC000064240492	158032747	/nfs/dbraw/zinc/03/27/47/158032747.db2.gz	FVFUFAJOUHJBCQ-UHFFFAOYSA-N	0	0	319.364	0.509	10	5		DCBERN
C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1N1CCOCC1	ZINC000408052986	160024288	/nfs/dbraw/zinc/02/42/88/160024288.db2.gz	NDNIJCPPQDBXPU-JQWIXIFHSA-N	0	0	323.353	0.121	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)n1	ZINC000408326621	160085768	/nfs/dbraw/zinc/08/57/68/160085768.db2.gz	NYAHJYSTQDBJRM-HZMBPMFUSA-N	0	0	324.337	0.831	10	5		DCBERN
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000173503146	416060624	/nfs/dbraw/zinc/06/06/24/416060624.db2.gz	QUUKDCPRMMISFO-SECBINFHSA-N	0	0	320.353	0.889	10	5		DCBERN
Cc1nn(CCC(=O)N2CCNC(=O)CC2)c(C)c1[N+](=O)[O-]	ZINC000170681995	416029585	/nfs/dbraw/zinc/02/95/85/416029585.db2.gz	ZPLPWPVYPULKAW-UHFFFAOYSA-N	0	0	309.326	0.147	10	5		DCBERN
CCOC(=O)c1ccnc(NCCc2cn[nH]c2)c1[N+](=O)[O-]	ZINC000357615409	416107015	/nfs/dbraw/zinc/10/70/15/416107015.db2.gz	IMMXJADCZBKPSH-UHFFFAOYSA-N	0	0	305.294	1.544	10	5		DCBERN
O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1Cc2ccccc2[C@@H]1O	ZINC000178303114	416160798	/nfs/dbraw/zinc/16/07/98/416160798.db2.gz	UTEBHHYJDMORNS-ZFWWWQNUSA-N	0	0	316.317	0.956	10	5		DCBERN
CS(=O)(=O)C1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CC1	ZINC000359991470	416367898	/nfs/dbraw/zinc/36/78/98/416367898.db2.gz	GMDKPXJEEMMSDB-UHFFFAOYSA-N	0	0	311.323	0.627	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(NC[C@@H](CO)[C@@H]3CCOC3)nn21	ZINC000360276665	416383591	/nfs/dbraw/zinc/38/35/91/416383591.db2.gz	XZQSFUMHYBHGGQ-ZJUUUORDSA-N	0	0	307.310	0.694	10	5		DCBERN
COc1ccc2c(c1)N(C(=O)Cn1cnc([N+](=O)[O-])n1)CCO2	ZINC000362094488	416561902	/nfs/dbraw/zinc/56/19/02/416561902.db2.gz	MXQPAVCJRLZWDG-UHFFFAOYSA-N	0	0	319.277	0.621	10	5		DCBERN
CCn1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])n1	ZINC000435802308	416537945	/nfs/dbraw/zinc/53/79/45/416537945.db2.gz	YSYKXVDTWFPPMU-IUCAKERBSA-N	0	0	318.355	0.609	10	5		DCBERN
CO[C@H]1C[C@@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)C12CCC2	ZINC000456664311	417660813	/nfs/dbraw/zinc/66/08/13/417660813.db2.gz	WDJNKPCKSMCRQL-ZJUUUORDSA-N	0	0	309.326	0.602	10	5		DCBERN
C[C@H](CN1CCCC1=O)Nc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000194107618	261144753	/nfs/dbraw/zinc/14/47/53/261144753.db2.gz	WDDVAKXGNZJVRU-MRVPVSSYSA-N	0	0	307.310	0.512	10	5		DCBERN
O=[N+]([O-])c1ccc2[nH]c(N3CCN4CCOC[C@@H]4C3)nc2c1	ZINC000408454210	275039007	/nfs/dbraw/zinc/03/90/07/275039007.db2.gz	UOUCHVXXYIOTOA-NSHDSACASA-N	0	0	303.322	0.992	10	5		DCBERN
CN1CCO[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@@H]21	ZINC000124289578	277123060	/nfs/dbraw/zinc/12/30/60/277123060.db2.gz	FNGUJCWBXMLHIE-NWDGAFQWSA-N	0	0	324.312	0.471	10	5		DCBERN
C[C@@H](O)C(=O)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1	ZINC000302076980	278390428	/nfs/dbraw/zinc/39/04/28/278390428.db2.gz	YNKRDCKQTWGPGM-SNVBAGLBSA-N	0	0	309.322	0.117	10	5		DCBERN
O=C(NC[C@H]1CCC2(CCOCC2)[C@H]1O)c1c[nH]nc1[N+](=O)[O-]	ZINC000555346362	288349568	/nfs/dbraw/zinc/34/95/68/288349568.db2.gz	CLPWJHPKYWKJEK-KOLCDFICSA-N	0	0	324.337	0.615	10	5		DCBERN
COC(=O)Cn1cc(CCOc2cccc([N+](=O)[O-])c2)nn1	ZINC000159129219	523391684	/nfs/dbraw/zinc/39/16/84/523391684.db2.gz	AHQJOPRCGBMKQO-UHFFFAOYSA-N	0	0	306.278	0.981	10	5		DCBERN
Cc1cc(N2CC[C@H](NS(C)(=O)=O)C2)ncc1[N+](=O)[O-]	ZINC000266854662	525094839	/nfs/dbraw/zinc/09/48/39/525094839.db2.gz	SRMGDRAUUQCBLE-VIFPVBQESA-N	0	0	300.340	0.426	10	5		DCBERN
NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)C2CCCCC2)c1=O	ZINC000191286843	527035251	/nfs/dbraw/zinc/03/52/51/527035251.db2.gz	RQXUUFAFGCAOMM-GFCCVEGCSA-N	0	0	309.322	0.797	10	5		DCBERN
CCC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1	ZINC000301170767	528332462	/nfs/dbraw/zinc/33/24/62/528332462.db2.gz	JZDYGFAFFMVYCT-UHFFFAOYSA-N	0	0	307.310	0.147	10	5		DCBERN
CC(C)[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)N(C)C	ZINC000729709189	662907588	/nfs/dbraw/zinc/90/75/88/662907588.db2.gz	QMXSIZJXUZQODM-LBPRGKRZSA-N	0	0	312.326	0.837	10	5		DCBERN
O=[N+]([O-])c1ccc(F)cc1OC[C@@H](O)CN1CCOCC1	ZINC000152923337	664682505	/nfs/dbraw/zinc/68/25/05/664682505.db2.gz	NBUNANGYZLYXDY-NSHDSACASA-N	0	0	300.286	0.806	10	5		DCBERN
O=C(NCC1(CO)COC1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000717689066	667875932	/nfs/dbraw/zinc/87/59/32/667875932.db2.gz	MDVUUVGLOCMDGY-UHFFFAOYSA-N	0	0	300.698	0.987	10	5		DCBERN
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1	ZINC000130201572	669596641	/nfs/dbraw/zinc/59/66/41/669596641.db2.gz	MNNGOEGKNBXTKB-ZIAGYGMSSA-N	0	0	317.301	0.814	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnn(C3C[NH2+]C3)c2)cc1	ZINC000757067385	670347734	/nfs/dbraw/zinc/34/77/34/670347734.db2.gz	WDWDGJDEBDTNEC-UHFFFAOYSA-N	0	0	323.334	0.736	10	5		DCBERN
CCn1nc(C)c([N+](=O)[O-])c1NCC1(S(N)(=O)=O)CC1	ZINC000714023002	941409703	/nfs/dbraw/zinc/40/97/03/941409703.db2.gz	SEROCNWCXKIGMK-UHFFFAOYSA-N	0	0	303.344	0.353	10	5		DCBERN
Cn1cc([C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)cn1	ZINC000172262091	198067222	/nfs/dbraw/zinc/06/72/22/198067222.db2.gz	ZOBPLNKUWZNYTN-JTQLQIEISA-N	0	0	304.310	0.541	10	5		DCBERN
CN(CC(=O)NC[C@H]1CN(C)CCO1)c1ccccc1[N+](=O)[O-]	ZINC000172922438	198167982	/nfs/dbraw/zinc/16/79/82/198167982.db2.gz	OXVPSGBKBULQDZ-LBPRGKRZSA-N	0	0	322.365	0.478	10	5		DCBERN
CCCC(=O)N[C@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC000157071447	291226903	/nfs/dbraw/zinc/22/69/03/291226903.db2.gz	IIPFICNMHCZMOF-NSHDSACASA-N	0	0	323.353	0.699	10	5		DCBERN
CCNC(=O)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1	ZINC000157613738	291229150	/nfs/dbraw/zinc/22/91/50/291229150.db2.gz	MZRBZAFUCUYGIF-SNVBAGLBSA-N	0	0	321.337	0.832	10	5		DCBERN
CN(CC1CC(O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000091498901	193065490	/nfs/dbraw/zinc/06/54/90/193065490.db2.gz	XKYVVSUTIZWUAJ-UHFFFAOYSA-N	0	0	300.336	0.986	10	5		DCBERN
COc1ccc(NC(=O)CSc2nncn2N)c([N+](=O)[O-])c1	ZINC000008978361	181594318	/nfs/dbraw/zinc/59/43/18/181594318.db2.gz	LURFVDKGKWMUMS-UHFFFAOYSA-N	0	0	324.322	0.640	10	5		DCBERN
Nc1nnc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000020201301	182196855	/nfs/dbraw/zinc/19/68/55/182196855.db2.gz	VDXKUWUQGYWSAL-UHFFFAOYSA-N	0	0	315.336	0.507	10	5		DCBERN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCNC(=O)CC1	ZINC000045799185	291600071	/nfs/dbraw/zinc/60/00/71/291600071.db2.gz	WLQJHIOUORMMIB-UHFFFAOYSA-N	0	0	313.335	0.414	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cn[nH]c1	ZINC000038007178	182960435	/nfs/dbraw/zinc/96/04/35/182960435.db2.gz	HYCQZWNQEBYANM-UHFFFAOYSA-N	0	0	312.307	0.805	10	5		DCBERN
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)S(N)(=O)=O	ZINC000350620609	254319851	/nfs/dbraw/zinc/31/98/51/254319851.db2.gz	NZWCZYYILUSRSA-LURJTMIESA-N	0	0	321.742	0.655	10	5		DCBERN
Cc1cc(C(=O)NC[C@H](C)S(N)(=O)=O)cc([N+](=O)[O-])c1	ZINC000350629461	254321321	/nfs/dbraw/zinc/32/13/21/254321321.db2.gz	OQTVWQQRMZSLRR-QMMMGPOBSA-N	0	0	301.324	0.310	10	5		DCBERN
COc1cccc(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)n1	ZINC000151349328	533497471	/nfs/dbraw/zinc/49/74/71/533497471.db2.gz	DRXWBGHHYYEWTQ-UHFFFAOYSA-N	0	0	320.309	0.694	10	5		DCBERN
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC(=O)N(C)C2)c1C	ZINC000408140038	291994206	/nfs/dbraw/zinc/99/42/06/291994206.db2.gz	QAPZZWMQCUTBHX-UHFFFAOYSA-N	0	0	313.335	0.632	10	5		DCBERN
O=C1[C@H]2[C@H]3C=C[C@H](O3)[C@H]2C(=O)N1OCc1ccc([N+](=O)[O-])cc1	ZINC000036057477	395722030	/nfs/dbraw/zinc/72/20/30/395722030.db2.gz	DXDZEWCKZWYYFF-FNFFVJSTSA-N	0	0	316.269	0.965	10	5		DCBERN
O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@H]2c2nc[nH]n2)c1	ZINC000245556171	395932036	/nfs/dbraw/zinc/93/20/36/395932036.db2.gz	IUMLDQGBHYAARM-NEPJUHHUSA-N	0	0	321.341	0.498	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](n2cncn2)C1	ZINC000171579719	396119340	/nfs/dbraw/zinc/11/93/40/396119340.db2.gz	ZLHQJBPZLMZKRA-JTQLQIEISA-N	0	0	305.298	0.247	10	5		DCBERN
Cc1c(NC(=O)C(=O)N[C@@H](C)[C@@H](C)CO)cccc1[N+](=O)[O-]	ZINC000177790694	396184104	/nfs/dbraw/zinc/18/41/04/396184104.db2.gz	QRSVDEIGXXUEBU-WPRPVWTQSA-N	0	0	309.322	0.975	10	5		DCBERN
O=C(COc1cccc([N+](=O)[O-])c1)NCCCn1ccnn1	ZINC000183011333	396258864	/nfs/dbraw/zinc/25/88/64/396258864.db2.gz	UXBHPIAHTZBRAP-UHFFFAOYSA-N	0	0	305.294	0.772	10	5		DCBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCn1ccnn1	ZINC000183161690	396263920	/nfs/dbraw/zinc/26/39/20/396263920.db2.gz	HIAVXBURCAYXKQ-UHFFFAOYSA-N	0	0	311.323	0.555	10	5		DCBERN
C[C@@H](O)CCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	ZINC000183171183	396263982	/nfs/dbraw/zinc/26/39/82/396263982.db2.gz	JCDHDSXZWVVLLR-RNCFNFMXSA-N	0	0	307.306	0.975	10	5		DCBERN
O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000183339220	396267437	/nfs/dbraw/zinc/26/74/37/396267437.db2.gz	LXKCTVIQHAJHNL-GFCCVEGCSA-N	0	0	323.349	0.877	10	5		DCBERN
CNC(=O)CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000186649087	396354553	/nfs/dbraw/zinc/35/45/53/396354553.db2.gz	ZCKAYVAUHQFXIU-SECBINFHSA-N	0	0	307.310	0.139	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCNC(=O)[C@@H]2CC(C)C)n1	ZINC000191719706	396423388	/nfs/dbraw/zinc/42/33/88/396423388.db2.gz	LWAYCSKNKBVOQJ-JTQLQIEISA-N	0	0	323.353	0.798	10	5		DCBERN
CC(C)(CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccncc1	ZINC000611265238	396848170	/nfs/dbraw/zinc/84/81/70/396848170.db2.gz	CFNDSRLOIQFKFK-UHFFFAOYSA-N	0	0	304.310	0.675	10	5		DCBERN
CCN1CC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1=O	ZINC000619802257	397195126	/nfs/dbraw/zinc/19/51/26/397195126.db2.gz	WQUBYXFYRUATCZ-VIFPVBQESA-N	0	0	321.289	0.674	10	5		DCBERN
CCN1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1=O	ZINC000619843445	397199072	/nfs/dbraw/zinc/19/90/72/397199072.db2.gz	DEVJBDPNRQONEK-NSHDSACASA-N	0	0	320.305	0.270	10	5		DCBERN
C[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000386342155	397288405	/nfs/dbraw/zinc/28/84/05/397288405.db2.gz	XDZAMXUUEFWAHK-ZJUUUORDSA-N	0	0	300.336	0.986	10	5		DCBERN
CO[C@@](C)(CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000594485719	397562000	/nfs/dbraw/zinc/56/20/00/397562000.db2.gz	STMKVVAGWJBNHH-LLVKDONJSA-N	0	0	304.324	0.271	10	5		DCBERN
Cn1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1	ZINC000066001542	158035134	/nfs/dbraw/zinc/03/51/34/158035134.db2.gz	RKUQRVLJGDPMLW-UHFFFAOYSA-N	0	0	302.337	0.868	10	5		DCBERN
Cn1cc(N2CCC[C@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])C2)cn1	ZINC000119543500	158188870	/nfs/dbraw/zinc/18/88/70/158188870.db2.gz	UGOBCHPPYGLXQM-VIFPVBQESA-N	0	0	319.325	0.450	10	5		DCBERN
CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC	ZINC000267873941	158899184	/nfs/dbraw/zinc/89/91/84/158899184.db2.gz	DNOLWNJWGPYRMK-SNVBAGLBSA-N	0	0	302.308	0.825	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O	ZINC000408031234	160017168	/nfs/dbraw/zinc/01/71/68/160017168.db2.gz	LNGLTQQSRHFCQJ-RTXFEEFZSA-N	0	0	309.322	0.925	10	5		DCBERN
O=[N+]([O-])c1ccc2nc(S(=O)(=O)C[C@H]3CC[NH2+]C3)[n-]c2c1	ZINC000095092104	415548911	/nfs/dbraw/zinc/54/89/11/415548911.db2.gz	ZZWJYIZCPNUKKV-QMMMGPOBSA-N	0	0	310.335	0.854	10	5		DCBERN
CC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000106894348	415652030	/nfs/dbraw/zinc/65/20/30/415652030.db2.gz	YAVHSOQCAOFCJT-ZETCQYMHSA-N	0	0	319.364	0.555	10	5		DCBERN
Nc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1[N+](=O)[O-]	ZINC000112661258	415713353	/nfs/dbraw/zinc/71/33/53/415713353.db2.gz	KKAOOPOLHQVFAQ-VIFPVBQESA-N	0	0	302.294	0.513	10	5		DCBERN
Cc1ccn2c(c1)nnc2NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000121829272	415819297	/nfs/dbraw/zinc/81/92/97/415819297.db2.gz	JLLSQHANKUJRHE-UHFFFAOYSA-N	0	0	301.266	0.781	10	5		DCBERN
COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC(=O)N(C)C2)c1	ZINC000133352248	415944386	/nfs/dbraw/zinc/94/43/86/415944386.db2.gz	AGMXYAUMAKIXDI-SECBINFHSA-N	0	0	307.306	0.954	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc2c(c1)NC(=O)CC2	ZINC000357399214	416074997	/nfs/dbraw/zinc/07/49/97/416074997.db2.gz	IPLPGVZCKJWZRC-UHFFFAOYSA-N	0	0	316.277	0.710	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCN1CC2	ZINC000178627410	416167437	/nfs/dbraw/zinc/16/74/37/416167437.db2.gz	CKWSGSVICVXRHP-GFCCVEGCSA-N	0	0	305.338	0.028	10	5		DCBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](C(N)=O)C1	ZINC000185698838	416254927	/nfs/dbraw/zinc/25/49/27/416254927.db2.gz	CTQZIBDDGLLJRP-AORWBKJGSA-N	0	0	319.317	0.711	10	5		DCBERN
CCO[C@@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1OC	ZINC000362677639	416570788	/nfs/dbraw/zinc/57/07/88/416570788.db2.gz	ZIELDCNUXHPFKR-JRKPZEMJSA-N	0	0	307.310	1.242	10	5		DCBERN
NC(=O)c1ccc(N2CCN(C3CC3)C(=O)C2)c([N+](=O)[O-])c1	ZINC000610489328	416658437	/nfs/dbraw/zinc/65/84/37/416658437.db2.gz	HDHNCCNSWAPMHT-UHFFFAOYSA-N	0	0	304.306	0.505	10	5		DCBERN
Nc1nccc(C(=O)NC[C@@H](CO)c2ccccc2)c1[N+](=O)[O-]	ZINC000548059710	416684567	/nfs/dbraw/zinc/68/45/67/416684567.db2.gz	RGWJJZFTAWRIFE-NSHDSACASA-N	0	0	316.317	1.078	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)NCc1nc2c(s1)CCCC2	ZINC000443425488	416757599	/nfs/dbraw/zinc/75/75/99/416757599.db2.gz	IKLJOJWDENTDCN-UHFFFAOYSA-N	0	0	322.350	0.838	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)NCCc1c[nH]c2ncccc12	ZINC000443655443	416773382	/nfs/dbraw/zinc/77/33/82/416773382.db2.gz	QCACVEFZBISMIP-UHFFFAOYSA-N	0	0	315.293	0.422	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)n1	ZINC000617408090	417215002	/nfs/dbraw/zinc/21/50/02/417215002.db2.gz	ZTBLXROIAOQGPS-BBBLOLIVSA-N	0	0	321.337	0.550	10	5		DCBERN
CNC(=O)[C@]1(C)CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1	ZINC000362382633	262028837	/nfs/dbraw/zinc/02/88/37/262028837.db2.gz	AGCZRPBWHMVKGS-CYBMUJFWSA-N	0	0	304.310	0.600	10	5		DCBERN
CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1ncc([N+](=O)[O-])cn1	ZINC000362672433	262059276	/nfs/dbraw/zinc/05/92/76/262059276.db2.gz	ZJROJIFYVKSQPF-HTQZYQBOSA-N	0	0	311.298	0.253	10	5		DCBERN
CCOc1ccc(C(=O)N[C@@H](CO)C(=O)OC)cc1[N+](=O)[O-]	ZINC000507511303	272395201	/nfs/dbraw/zinc/39/52/01/272395201.db2.gz	QOZZYIKZCSVHBX-VIFPVBQESA-N	0	0	312.278	0.257	10	5		DCBERN
NC(=O)CCCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000541916880	287933108	/nfs/dbraw/zinc/93/31/08/287933108.db2.gz	RHGWCAORPPBGML-UHFFFAOYSA-N	0	0	315.351	0.670	10	5		DCBERN
COc1ccc(S(=O)(=O)N2CC3(COC3)C2)cc1[N+](=O)[O-]	ZINC000584626952	337376103	/nfs/dbraw/zinc/37/61/03/337376103.db2.gz	TZNAXQCHKDKDOY-UHFFFAOYSA-N	0	0	314.319	0.624	10	5		DCBERN
CN1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC1=O	ZINC000131163803	524024466	/nfs/dbraw/zinc/02/44/66/524024466.db2.gz	DUMAGENMEYQZAU-MRVPVSSYSA-N	0	0	317.305	0.822	10	5		DCBERN
C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C(N)=O)O1	ZINC000157448407	524799268	/nfs/dbraw/zinc/79/92/68/524799268.db2.gz	FSKSCJISESEGSC-SKDRFNHKSA-N	0	0	307.306	0.239	10	5		DCBERN
O=c1[nH]cnc2cc(NCCn3ccnn3)c([N+](=O)[O-])cc12	ZINC000302201757	534880621	/nfs/dbraw/zinc/88/06/21/534880621.db2.gz	VMKSTJRZPBQXBW-UHFFFAOYSA-N	0	0	301.266	0.947	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@](O)(C(F)(F)F)C1	ZINC000156769122	526630359	/nfs/dbraw/zinc/63/03/59/526630359.db2.gz	QQIGOEZIIIRNHK-SNVBAGLBSA-N	0	0	321.211	0.835	10	5		DCBERN
Nc1c(C(=O)N2CC(NC(=O)C3CCC3)C2)cccc1[N+](=O)[O-]	ZINC000188536109	527425168	/nfs/dbraw/zinc/42/51/68/527425168.db2.gz	HDCLZSBVMDWWOJ-UHFFFAOYSA-N	0	0	318.333	0.918	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)Oc1ccc2c(c1)OCCCO2	ZINC000726758406	661666667	/nfs/dbraw/zinc/66/66/67/661666667.db2.gz	HNHFWLPMBCPCPM-UHFFFAOYSA-N	0	0	320.261	0.953	10	5		DCBERN
COc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)O)c([N+](=O)[O-])c1	ZINC000344920373	663080798	/nfs/dbraw/zinc/08/07/98/663080798.db2.gz	PLQONIQZNPAFTJ-YUMQZZPRSA-N	0	0	304.324	0.651	10	5		DCBERN
COc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)O)cc1[N+](=O)[O-]	ZINC000344920425	663080943	/nfs/dbraw/zinc/08/09/43/663080943.db2.gz	SSTMIDGZCHSLCI-SFYZADRCSA-N	0	0	304.324	0.651	10	5		DCBERN
CCc1nn(C)c(N[C@H]2CS(=O)(=O)C[C@H]2C)c1[N+](=O)[O-]	ZINC000341073660	1158857084	/nfs/dbraw/zinc/85/70/84/1158857084.db2.gz	SDBSZEHQXSPTRR-APPZFPTMSA-N	0	0	302.356	0.736	10	5		DCBERN
CCNC(=O)CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC000050702288	1171736322	/nfs/dbraw/zinc/73/63/22/1171736322.db2.gz	UJXNSLHXJFKYMT-UHFFFAOYSA-N	0	0	300.702	0.696	10	5		DCBERN
COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1csc([N+](=O)[O-])c1	ZINC000168944956	751570014	/nfs/dbraw/zinc/57/00/14/751570014.db2.gz	ZSMQYDMXHKWWEH-HTQZYQBOSA-N	0	0	300.292	0.405	10	5		DCBERN
COc1ccc(S(=O)(=O)NCc2c[nH]cn2)cc1[N+](=O)[O-]	ZINC000088759662	773411355	/nfs/dbraw/zinc/41/13/55/773411355.db2.gz	HVODSOJCWMIPQY-UHFFFAOYSA-N	0	0	312.307	0.805	10	5		DCBERN
NS(=O)(=O)C1(CNc2ncc([N+](=O)[O-])cc2Cl)CC1	ZINC000714012665	941405424	/nfs/dbraw/zinc/40/54/24/941405424.db2.gz	KKWYJBOIQTVRLO-UHFFFAOYSA-N	0	0	306.731	0.876	10	5		DCBERN
O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCc2ncnn2C1	ZINC000173695170	198241284	/nfs/dbraw/zinc/24/12/84/198241284.db2.gz	KDNXYUYXGKVCSJ-LLVKDONJSA-N	0	0	301.306	0.860	10	5		DCBERN
C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCS1(=O)=O	ZINC000173850246	198260154	/nfs/dbraw/zinc/26/01/54/198260154.db2.gz	UUKSONASQSHYGG-JTQLQIEISA-N	0	0	312.347	0.783	10	5		DCBERN
C[C@@H](O)CN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C	ZINC000174330725	198320995	/nfs/dbraw/zinc/32/09/95/198320995.db2.gz	LTQYCBMGPUUVHK-WDEREUQCSA-N	0	0	322.365	0.704	10	5		DCBERN
C[C@@H](O)CN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C	ZINC000174330717	198321003	/nfs/dbraw/zinc/32/10/03/198321003.db2.gz	LTQYCBMGPUUVHK-GHMZBOCLSA-N	0	0	322.365	0.704	10	5		DCBERN
Cc1cc(C)n([C@H](C)C(=O)NCCn2cc([N+](=O)[O-])cn2)n1	ZINC000157004465	237053943	/nfs/dbraw/zinc/05/39/43/237053943.db2.gz	DWBNYSNZYXWOFH-LLVKDONJSA-N	0	0	306.326	0.982	10	5		DCBERN
CO[C@H]1C[C@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)C12CCC2	ZINC000456664309	240927692	/nfs/dbraw/zinc/92/76/92/240927692.db2.gz	WDJNKPCKSMCRQL-UWVGGRQHSA-N	0	0	309.326	0.602	10	5		DCBERN
O=C([O-])[C@H]1C[NH2+]CCN1c1cnc2cc([N+](=O)[O-])ccc2n1	ZINC000095073760	304198893	/nfs/dbraw/zinc/19/88/93/304198893.db2.gz	SURUBXBABSMTKA-LLVKDONJSA-N	0	0	303.278	0.401	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1CO	ZINC000048864989	183692968	/nfs/dbraw/zinc/69/29/68/183692968.db2.gz	BQASUJMQQXJXNE-JTQLQIEISA-N	0	0	316.335	0.749	10	5		DCBERN
Cc1cc(C(=O)NC[C@@H](C)S(N)(=O)=O)ccc1[N+](=O)[O-]	ZINC000350615763	254318903	/nfs/dbraw/zinc/31/89/03/254318903.db2.gz	JWHZYDDRLMMCAK-MRVPVSSYSA-N	0	0	301.324	0.310	10	5		DCBERN
CN(CC1CC(O)C1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000276044058	130432071	/nfs/dbraw/zinc/43/20/71/130432071.db2.gz	NYIKFNRCSRGCKX-UHFFFAOYSA-N	0	0	315.351	0.449	10	5		DCBERN
CC[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000035610410	395721263	/nfs/dbraw/zinc/72/12/63/395721263.db2.gz	MYGGNJMXQJHSGR-MRVPVSSYSA-N	0	0	304.324	0.653	10	5		DCBERN
COCc1csc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1	ZINC000115242232	395838374	/nfs/dbraw/zinc/83/83/74/395838374.db2.gz	CBIINPYSEKYHCK-UHFFFAOYSA-N	0	0	324.318	0.998	10	5		DCBERN
CO[C@@H]1CC[C@H]2OCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@H]2C1	ZINC000245747948	395935428	/nfs/dbraw/zinc/93/54/28/395935428.db2.gz	WXGIHSDPHPKHIQ-GRYCIOLGSA-N	0	0	324.337	0.586	10	5		DCBERN
CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N@+]2([O-])CCC[C@@H]12)[C@H](C)O	ZINC000253393681	396026353	/nfs/dbraw/zinc/02/63/53/396026353.db2.gz	ZRIYCGOWLRWLAO-YOPIWALVSA-N	0	0	302.391	0.686	10	5		DCBERN
C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000183184704	396264510	/nfs/dbraw/zinc/26/45/10/396264510.db2.gz	GZGYULAIGHIMNT-QVHKOIDPSA-N	0	0	312.394	0.702	10	5		DCBERN
COC(=O)c1cnc(N2CC(=O)N(C)[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000283346014	396331584	/nfs/dbraw/zinc/33/15/84/396331584.db2.gz	BFWYRIXZWOPCIX-QMMMGPOBSA-N	0	0	308.294	0.443	10	5		DCBERN
CCN1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1=O	ZINC000190648190	396409579	/nfs/dbraw/zinc/40/95/79/396409579.db2.gz	YHGSBLUYSYCNIT-UHFFFAOYSA-N	0	0	313.335	0.546	10	5		DCBERN
CN(C(=O)CN1CCCN(C)C(=O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000191127932	396416009	/nfs/dbraw/zinc/41/60/09/396416009.db2.gz	CHUDYJZLUSSMDR-UHFFFAOYSA-N	0	0	320.349	0.722	10	5		DCBERN
O=C1NC(=O)[C@@]2(CCCN(Cc3csc([N+](=O)[O-])c3)C2)N1	ZINC000192673687	396434774	/nfs/dbraw/zinc/43/47/74/396434774.db2.gz	SEWUZCBKQYARBQ-LBPRGKRZSA-N	0	0	310.335	0.830	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1cc(C)c([N+](=O)[O-])cn1	ZINC000596437678	396777549	/nfs/dbraw/zinc/77/75/49/396777549.db2.gz	XVIFWQFALWJALY-WPRPVWTQSA-N	0	0	301.324	0.522	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@H]1Nc1c(F)cccc1[N+](=O)[O-]	ZINC000596438005	396777935	/nfs/dbraw/zinc/77/79/35/396777935.db2.gz	ZCPMTHXROQJDMS-SCZZXKLOSA-N	0	0	304.299	0.958	10	5		DCBERN
O=C(Nc1ccncc1[N+](=O)[O-])NC1(CCO)CCOCC1	ZINC000611598438	396894688	/nfs/dbraw/zinc/89/46/88/396894688.db2.gz	WOPLQUJPUNNAOF-UHFFFAOYSA-N	0	0	310.310	0.465	10	5		DCBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](S(N)(=O)=O)C2)n1	ZINC000611616425	396895650	/nfs/dbraw/zinc/89/56/50/396895650.db2.gz	NLJORAOHYWXFEJ-SECBINFHSA-N	0	0	300.340	0.474	10	5		DCBERN
CNC(=O)CN1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1	ZINC000611615596	396895762	/nfs/dbraw/zinc/89/57/62/396895762.db2.gz	IRNKDQWBPXQEFI-UHFFFAOYSA-N	0	0	307.354	0.475	10	5		DCBERN
CN(C)S(=O)(=O)c1ccc(N2CC(CO)C2)c([N+](=O)[O-])c1	ZINC000612451133	397059979	/nfs/dbraw/zinc/05/99/79/397059979.db2.gz	HSIHNMCLQXIPGR-UHFFFAOYSA-N	0	0	315.351	0.274	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)n1	ZINC000619777321	397190826	/nfs/dbraw/zinc/19/08/26/397190826.db2.gz	DAZOLPJZWVIZBX-LLVKDONJSA-N	0	0	322.321	0.631	10	5		DCBERN
COC[C@@](C)(CO)NC(=O)CCn1cc([N+](=O)[O-])nc1C	ZINC000613534378	397274558	/nfs/dbraw/zinc/27/45/58/397274558.db2.gz	MKEYDOKEHCVQQK-GFCCVEGCSA-N	0	0	300.315	0.003	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(N3CC[C@H](n4cncn4)C3)nn21	ZINC000614414596	397434817	/nfs/dbraw/zinc/43/48/17/397434817.db2.gz	HRKDTUMHBPQBEQ-VIFPVBQESA-N	0	0	300.282	0.680	10	5		DCBERN
O=[N+]([O-])c1cccnc1NCCCN1CCCS1(=O)=O	ZINC000608779242	397755309	/nfs/dbraw/zinc/75/53/09/397755309.db2.gz	GBZFLXITGJMDCY-UHFFFAOYSA-N	0	0	300.340	0.827	10	5		DCBERN
CSc1ccc(C(=O)NC[C@@](C)(O)CO)cc1[N+](=O)[O-]	ZINC000090286547	158103243	/nfs/dbraw/zinc/10/32/43/158103243.db2.gz	SAABQBOIVXPLNG-GFCCVEGCSA-N	0	0	300.336	0.790	10	5		DCBERN
CC(C)C(=O)N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1	ZINC000408051422	160023457	/nfs/dbraw/zinc/02/34/57/160023457.db2.gz	PAVQMMJKZQYODM-UHFFFAOYSA-N	0	0	309.326	0.269	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCNC(=O)CC1	ZINC000042158083	415208318	/nfs/dbraw/zinc/20/83/18/415208318.db2.gz	VOPCVOBSCHWYIZ-UHFFFAOYSA-N	0	0	313.335	0.414	10	5		DCBERN
COC(=O)c1cc(C)nc(NC[C@@H](CO)C2CC2)c1[N+](=O)[O-]	ZINC000357775334	416131309	/nfs/dbraw/zinc/13/13/09/416131309.db2.gz	OSEBJZFQKBMVNY-JTQLQIEISA-N	0	0	309.322	1.515	10	5		DCBERN
CCNC(=O)C1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1	ZINC000178132802	416157588	/nfs/dbraw/zinc/15/75/88/416157588.db2.gz	WHOGUBSZDDIPJW-UHFFFAOYSA-N	0	0	310.285	0.524	10	5		DCBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)N1C[C@H]2CCC[C@@H](C1)C2O	ZINC000178605606	416165894	/nfs/dbraw/zinc/16/58/94/416165894.db2.gz	GNFIJKKPJRULMP-QYJAPNMZSA-N	0	0	323.353	0.594	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCNC(=O)C(C)(C)C)n1	ZINC000191586480	416286968	/nfs/dbraw/zinc/28/69/68/416286968.db2.gz	GUKKTMIFECFBLR-UHFFFAOYSA-N	0	0	311.342	0.703	10	5		DCBERN
Cc1nnc(CNc2ccc3ncc([N+](=O)[O-])n3n2)n1C1CC1	ZINC000361047274	416419708	/nfs/dbraw/zinc/41/97/08/416419708.db2.gz	XBZFBQRCPUKRNR-UHFFFAOYSA-N	0	0	314.309	1.484	10	5		DCBERN
COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000615818757	416917091	/nfs/dbraw/zinc/91/70/91/416917091.db2.gz	OWZIXSYTNJSALJ-YWVKMMECSA-N	0	0	322.321	0.742	10	5		DCBERN
CNC(=O)c1ccc(N2CCN3CCOC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000371809059	416922861	/nfs/dbraw/zinc/92/28/61/416922861.db2.gz	MSNPRJXMEOSSBI-GFCCVEGCSA-N	0	0	320.349	0.475	10	5		DCBERN
O=[N+]([O-])c1cnc(NCCCN2CCCS2(=O)=O)s1	ZINC000619695512	417258072	/nfs/dbraw/zinc/25/80/72/417258072.db2.gz	ZCWNQYCDWFGPIG-UHFFFAOYSA-N	0	0	306.369	0.889	10	5		DCBERN
COC(=O)c1ccc(=O)n(Cc2ccc([N+](=O)[O-])cc2OC)n1	ZINC000362338446	262023604	/nfs/dbraw/zinc/02/36/04/262023604.db2.gz	DSIBXNVDCPIXDH-UHFFFAOYSA-N	0	0	319.273	0.995	10	5		DCBERN
CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ncc([N+](=O)[O-])cn1	ZINC000362672439	262059259	/nfs/dbraw/zinc/05/92/59/262059259.db2.gz	ZJROJIFYVKSQPF-YUMQZZPRSA-N	0	0	311.298	0.253	10	5		DCBERN
CNc1c(C(=O)N(C)Cc2nnnn2C)cccc1[N+](=O)[O-]	ZINC000360945265	271167736	/nfs/dbraw/zinc/16/77/36/271167736.db2.gz	QYGMRSFGMIPYIO-UHFFFAOYSA-N	0	0	305.298	0.432	10	5		DCBERN
COc1cc(CN2CCOC[C@@H]2C(N)=O)c([N+](=O)[O-])cc1F	ZINC000184294651	277376815	/nfs/dbraw/zinc/37/68/15/277376815.db2.gz	BDEVZMYTUHWBGR-LLVKDONJSA-N	0	0	313.285	0.429	10	5		DCBERN
COc1cc(N2CCS(=O)(=O)CC2)c([N+](=O)[O-])cc1F	ZINC000268201199	277382120	/nfs/dbraw/zinc/38/21/20/277382120.db2.gz	YSLYBPWSAKZVIQ-UHFFFAOYSA-N	0	0	304.299	0.977	10	5		DCBERN
Cc1nccc(N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)n1	ZINC000548417098	288141042	/nfs/dbraw/zinc/14/10/42/288141042.db2.gz	UHZXCJFBWDHDEY-UHFFFAOYSA-N	0	0	317.309	0.379	10	5		DCBERN
O=C(CCn1cc([N+](=O)[O-])cn1)N1CCO[C@@H](C(=O)C2CC2)C1	ZINC000548718261	288170284	/nfs/dbraw/zinc/17/02/84/288170284.db2.gz	NDHQMGRQNPUMEV-GFCCVEGCSA-N	0	0	322.321	0.388	10	5		DCBERN
O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N2CCOC[C@H]12	ZINC000193043868	304681559	/nfs/dbraw/zinc/68/15/59/304681559.db2.gz	ZLLBTZKZDYKGIM-GHMZBOCLSA-N	0	0	308.250	0.332	10	5		DCBERN
Cn1nnc(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)n1	ZINC000571115547	333664472	/nfs/dbraw/zinc/66/44/72/333664472.db2.gz	RPTPRZKJWWAGER-UHFFFAOYSA-N	0	0	317.309	0.386	10	5		DCBERN
CC(=O)NC1CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC000188562568	519649786	/nfs/dbraw/zinc/64/97/86/519649786.db2.gz	HZLYLLOEZUVFJN-UHFFFAOYSA-N	0	0	313.335	0.412	10	5		DCBERN
CCN(CCCO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000158952593	521036742	/nfs/dbraw/zinc/03/67/42/521036742.db2.gz	XAYJYTHBIQPDNP-UHFFFAOYSA-N	0	0	318.351	0.996	10	5		DCBERN
NS(=O)(=O)c1ccc(N[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1	ZINC000299657998	534703715	/nfs/dbraw/zinc/70/37/15/534703715.db2.gz	NCCKUWBSWOYVPE-CMPLNLGQSA-N	0	0	315.351	0.958	10	5		DCBERN
Cc1cc([N+](=O)[O-])cn(CCCN2C(=O)NC(C)(C)C2=O)c1=O	ZINC000127300326	525572396	/nfs/dbraw/zinc/57/23/96/525572396.db2.gz	QQBHGAAHGJKEBR-UHFFFAOYSA-N	0	0	322.321	0.785	10	5		DCBERN
Cn1cccc1C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000130084202	527389613	/nfs/dbraw/zinc/38/96/13/527389613.db2.gz	AJPUKDANOWRCOD-TZMCWYRMSA-N	0	0	319.317	0.758	10	5		DCBERN
CNS(=O)(=O)c1ccc(SCCCO)c([N+](=O)[O-])c1	ZINC000090107102	1175379028	/nfs/dbraw/zinc/37/90/28/1175379028.db2.gz	ZFAXGHQJDHUYPV-UHFFFAOYSA-N	0	0	306.365	0.977	10	5		DCBERN
CCN(C)c1ccccc1CNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000730239861	664663592	/nfs/dbraw/zinc/66/35/92/664663592.db2.gz	ITUIHKSJCMRJPO-UHFFFAOYSA-N	0	0	318.337	0.959	10	5		DCBERN
O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1	ZINC000120110238	667260228	/nfs/dbraw/zinc/26/02/28/667260228.db2.gz	ZWJRNDPNOIDLQH-KGLIPLIRSA-N	0	0	317.301	0.814	10	5		DCBERN
O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cscn1	ZINC000130255163	669600698	/nfs/dbraw/zinc/60/06/98/669600698.db2.gz	KEZCZBYXNDPWKC-CMPLNLGQSA-N	0	0	323.330	0.876	10	5		DCBERN
C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000049560761	1171696398	/nfs/dbraw/zinc/69/63/98/1171696398.db2.gz	GLFUQWQMMYUHQD-VIFPVBQESA-N	0	0	317.367	0.919	10	5		DCBERN
O=C(c1c(Cl)cccc1[N+](=O)[O-])N1C[C@@H](O)[C@H](CO)C1	ZINC000317757778	775123525	/nfs/dbraw/zinc/12/35/25/775123525.db2.gz	ZPWIHUFHAYTORQ-OIBJUYFYSA-N	0	0	300.698	0.673	10	5		DCBERN
Cc1sc(C(=O)NCCN2C(=O)CCC2=O)cc1[N+](=O)[O-]	ZINC000072818332	191233953	/nfs/dbraw/zinc/23/39/53/191233953.db2.gz	UCFHKVMVWLOZGD-UHFFFAOYSA-N	0	0	311.319	0.844	10	5		DCBERN
C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1CCO	ZINC000188697862	200290258	/nfs/dbraw/zinc/29/02/58/200290258.db2.gz	NQUQRTBPZNERDE-GFCCVEGCSA-N	0	0	307.350	0.662	10	5		DCBERN
CCc1nc(C(C)(C)NC(=O)c2nn(C)cc2[N+](=O)[O-])no1	ZINC000441694099	240534232	/nfs/dbraw/zinc/53/42/32/240534232.db2.gz	OEJNEVJOULKEJA-UHFFFAOYSA-N	0	0	308.298	0.939	10	5		DCBERN
O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(Cl)c1	ZINC000094568772	193381133	/nfs/dbraw/zinc/38/11/33/193381133.db2.gz	ZJPKFJOCBJEGNG-DQDDRIPDSA-N	0	0	305.670	0.066	10	5		DCBERN
O=[N+]([O-])c1ccc(N[C@H]2CS(=O)(=O)C[C@@H]2O)c([N+](=O)[O-])c1	ZINC000016789855	182060617	/nfs/dbraw/zinc/06/06/17/182060617.db2.gz	NOWXTBJKXVUEJR-WPRPVWTQSA-N	0	0	317.279	0.073	10	5		DCBERN
COC(=O)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000035164527	182758688	/nfs/dbraw/zinc/75/86/88/182758688.db2.gz	KGIAWKRBGOQPNM-UHFFFAOYSA-N	0	0	318.307	0.397	10	5		DCBERN
CC(=O)c1cc(NC[C@H](C)S(N)(=O)=O)ccc1[N+](=O)[O-]	ZINC000342533226	253506643	/nfs/dbraw/zinc/50/66/43/253506643.db2.gz	CUFOOZMWIUEFIX-ZETCQYMHSA-N	0	0	301.324	0.886	10	5		DCBERN
Cc1c(C(=O)NC[C@H](C)S(N)(=O)=O)cccc1[N+](=O)[O-]	ZINC000350615216	254318735	/nfs/dbraw/zinc/31/87/35/254318735.db2.gz	CCFICDFOKYBVGL-ZETCQYMHSA-N	0	0	301.324	0.310	10	5		DCBERN
COC(=O)[C@@]12CCC[C@H]1CN(c1ncc([N+](=O)[O-])c(N)n1)C2	ZINC000302165698	533155580	/nfs/dbraw/zinc/15/55/80/533155580.db2.gz	KTSRTKVRJVPGLP-ISVAXAHUSA-N	0	0	307.310	0.747	10	5		DCBERN
COC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000035164480	395719356	/nfs/dbraw/zinc/71/93/56/395719356.db2.gz	GFTZIDJCXQRGJN-UHFFFAOYSA-N	0	0	304.280	0.055	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1CC(O)C1	ZINC000091537972	395725709	/nfs/dbraw/zinc/72/57/09/395725709.db2.gz	GJNYGWJAXNZXFM-UHFFFAOYSA-N	0	0	316.335	0.653	10	5		DCBERN
COc1ccc(S(=O)(=O)NCC2CC(O)C2)cc1[N+](=O)[O-]	ZINC000091538319	395726167	/nfs/dbraw/zinc/72/61/67/395726167.db2.gz	FDMZCUCZAWSHKL-UHFFFAOYSA-N	0	0	316.335	0.653	10	5		DCBERN
CN(C)C(=O)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000194408560	395796713	/nfs/dbraw/zinc/79/67/13/395796713.db2.gz	LADFFVUPJBJROB-UHFFFAOYSA-N	0	0	321.380	0.803	10	5		DCBERN
C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000175749554	396141428	/nfs/dbraw/zinc/14/14/28/396141428.db2.gz	OCVPFFQFABDHHF-SECBINFHSA-N	0	0	312.326	0.980	10	5		DCBERN
COCCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C	ZINC000176755332	396160054	/nfs/dbraw/zinc/16/00/54/396160054.db2.gz	KVDNMSVNISMIFY-NSHDSACASA-N	0	0	322.365	0.970	10	5		DCBERN
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC(CO)C1	ZINC000184900214	396310298	/nfs/dbraw/zinc/31/02/98/396310298.db2.gz	MGBKBLYQSBNFBR-UHFFFAOYSA-N	0	0	306.727	0.861	10	5		DCBERN
NC(=O)[C@@]1(O)CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1	ZINC000284519824	396345678	/nfs/dbraw/zinc/34/56/78/396345678.db2.gz	FLSJWKOFGOIGRN-LLVKDONJSA-N	0	0	300.702	0.460	10	5		DCBERN
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC(NC(=O)C2CC2)C1	ZINC000189976245	396401301	/nfs/dbraw/zinc/40/13/01/396401301.db2.gz	CWNJKIINFJMSSF-UHFFFAOYSA-N	0	0	304.306	0.528	10	5		DCBERN
O=C(N1CCCC1)[C@]1(O)CCCN(c2ccncc2[N+](=O)[O-])C1	ZINC000585788643	396655870	/nfs/dbraw/zinc/65/58/70/396655870.db2.gz	BMQKNMAHUIOBCE-HNNXBMFYSA-N	0	0	320.349	0.944	10	5		DCBERN
CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@]2(CCOC2)C1	ZINC000302227536	396718471	/nfs/dbraw/zinc/71/84/71/396718471.db2.gz	USSFIXQCMYBVJZ-OAHLLOKOSA-N	0	0	321.333	0.950	10	5		DCBERN
O=C(CN1CCc2ncc([N+](=O)[O-])cc2C1)NC(=O)NC1CC1	ZINC000612469080	397065566	/nfs/dbraw/zinc/06/55/66/397065566.db2.gz	BMGSNQKWIGNFJR-UHFFFAOYSA-N	0	0	319.321	0.336	10	5		DCBERN
Cn1cc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])nn1	ZINC000612682107	397119819	/nfs/dbraw/zinc/11/98/19/397119819.db2.gz	GEJNUZSSTDLIGA-UHFFFAOYSA-N	0	0	311.323	0.343	10	5		DCBERN
CCN1CC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O	ZINC000619801759	397195046	/nfs/dbraw/zinc/19/50/46/397195046.db2.gz	NIHMRHSELUAPCM-SECBINFHSA-N	0	0	321.289	0.674	10	5		DCBERN
CCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1=O	ZINC000619802512	397195144	/nfs/dbraw/zinc/19/51/44/397195144.db2.gz	HTAQASLQLZGTJS-LLVKDONJSA-N	0	0	307.306	0.954	10	5		DCBERN
Cc1c(C(=O)N[C@H]2C[C@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000087899783	158093262	/nfs/dbraw/zinc/09/32/62/158093262.db2.gz	SHRIQUBJSNZKON-LDWIPMOCSA-N	0	0	313.335	0.689	10	5		DCBERN
Cn1cc(N2CCC[C@@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])C2)cn1	ZINC000119543674	158189251	/nfs/dbraw/zinc/18/92/51/158189251.db2.gz	UGOBCHPPYGLXQM-SECBINFHSA-N	0	0	319.325	0.450	10	5		DCBERN
CNC(=O)Cn1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n1	ZINC000172669898	158397898	/nfs/dbraw/zinc/39/78/98/158397898.db2.gz	ZAOYYBADEQHJFM-UHFFFAOYSA-N	0	0	318.293	0.493	10	5		DCBERN
CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000177562059	158448067	/nfs/dbraw/zinc/44/80/67/158448067.db2.gz	FRBOQFLZMVUHEL-SSDOTTSWSA-N	0	0	321.380	0.659	10	5		DCBERN
CNC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CCO1	ZINC000183997184	158504099	/nfs/dbraw/zinc/50/40/99/158504099.db2.gz	KNZXRXLFKXZINU-VIFPVBQESA-N	0	0	313.335	0.552	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C	ZINC000408052561	160024231	/nfs/dbraw/zinc/02/42/31/160024231.db2.gz	QTOAOCMPBYKUGM-NEPJUHHUSA-N	0	0	319.321	0.536	10	5		DCBERN
O=C(Cn1ccc([N+](=O)[O-])n1)NCCNC(=O)c1ccccc1	ZINC000043269899	415215531	/nfs/dbraw/zinc/21/55/31/415215531.db2.gz	BWCMVDGNJIOJJI-UHFFFAOYSA-N	0	0	317.305	0.338	10	5		DCBERN
O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2ncnn2C1	ZINC000112656205	415711707	/nfs/dbraw/zinc/71/17/07/415711707.db2.gz	ATLZAAOTVWCQFX-SNVBAGLBSA-N	0	0	317.305	0.696	10	5		DCBERN
COc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1[N+](=O)[O-]	ZINC000112653900	415713537	/nfs/dbraw/zinc/71/35/37/415713537.db2.gz	SPFKWSHFBUPDFB-SNVBAGLBSA-N	0	0	317.305	0.940	10	5		DCBERN
CN1CCO[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21	ZINC000153084871	415975612	/nfs/dbraw/zinc/97/56/12/415975612.db2.gz	AIPKGEUPLLGPNT-STQMWFEESA-N	0	0	309.297	0.889	10	5		DCBERN
CCNC(=O)C1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1	ZINC000178125880	416157778	/nfs/dbraw/zinc/15/77/78/416157778.db2.gz	HCMNMHAOJKHFAF-UHFFFAOYSA-N	0	0	307.306	0.568	10	5		DCBERN
CNc1ncnc2c1cnn2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000193755264	416319637	/nfs/dbraw/zinc/31/96/37/416319637.db2.gz	HITJDXMKESTAKW-VIFPVBQESA-N	0	0	318.297	0.034	10	5		DCBERN
CCO[C@@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1OC	ZINC000362677638	416570344	/nfs/dbraw/zinc/57/03/44/416570344.db2.gz	ZIELDCNUXHPFKR-IGJMFERPSA-N	0	0	307.310	1.242	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2CCOC[C@H]2C1	ZINC000368895256	416702566	/nfs/dbraw/zinc/70/25/66/416702566.db2.gz	ITGCFKHEHKNTEN-GFCCVEGCSA-N	0	0	321.333	0.760	10	5		DCBERN
CS(=O)(=O)c1ccc(N2C[C@H](F)C[C@H]2CO)c([N+](=O)[O-])c1	ZINC000443999396	416797315	/nfs/dbraw/zinc/79/73/15/416797315.db2.gz	SVGXNWSTKWDHMM-BDAKNGLRSA-N	0	0	318.326	0.907	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccc2c(n1)CCCC2	ZINC000444536658	416848470	/nfs/dbraw/zinc/84/84/70/416848470.db2.gz	RTFURGSLEKRYQP-UHFFFAOYSA-N	0	0	316.321	0.777	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)n1	ZINC000617408091	417213930	/nfs/dbraw/zinc/21/39/30/417213930.db2.gz	ZTBLXROIAOQGPS-IVZWLZJFSA-N	0	0	321.337	0.550	10	5		DCBERN
CO[C@@H]1COCC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1	ZINC000450698028	417261744	/nfs/dbraw/zinc/26/17/44/417261744.db2.gz	IXEXYPDAAYYSKT-VHSXEESVSA-N	0	0	307.310	1.101	10	5		DCBERN
CCOc1ccc(C(=O)N2CC(=O)N[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000456193508	417631361	/nfs/dbraw/zinc/63/13/61/417631361.db2.gz	QMSFGMCPXSBOLD-SECBINFHSA-N	0	0	307.306	0.954	10	5		DCBERN
CO[C@@H]1C[C@@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)C12CCC2	ZINC000456664308	417661223	/nfs/dbraw/zinc/66/12/23/417661223.db2.gz	WDJNKPCKSMCRQL-NXEZZACHSA-N	0	0	309.326	0.602	10	5		DCBERN
C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)Oc1cccc(F)c1	ZINC000358902945	261712714	/nfs/dbraw/zinc/71/27/14/261712714.db2.gz	NUCRVBWFKHWKMU-VIFPVBQESA-N	0	0	323.284	0.909	10	5		DCBERN
CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1c([N+](=O)[O-])ncn1C	ZINC000362664546	262058100	/nfs/dbraw/zinc/05/81/00/262058100.db2.gz	MMNSNENNJGMPBV-YUMQZZPRSA-N	0	0	313.314	0.197	10	5		DCBERN
COc1cc(CN2C[C@@H](O)C[C@@H]2CO)c([N+](=O)[O-])cc1F	ZINC000184290080	277377568	/nfs/dbraw/zinc/37/75/68/277377568.db2.gz	FVEVTQPLEDDBRU-ZJUUUORDSA-N	0	0	300.286	0.670	10	5		DCBERN
COc1cccc(C(=O)N[C@@H]2CCc3ncnn3C2)c1[N+](=O)[O-]	ZINC000192563559	277452592	/nfs/dbraw/zinc/45/25/92/277452592.db2.gz	SGRSCDZYMFDEKF-SECBINFHSA-N	0	0	317.305	0.940	10	5		DCBERN
Nc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](C(=O)C2CC2)C1	ZINC000548391330	288138917	/nfs/dbraw/zinc/13/89/17/288138917.db2.gz	XYHVQQBHPVBSFE-LBPRGKRZSA-N	0	0	319.317	0.997	10	5		DCBERN
C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC2(CCOCC2)O1	ZINC000548731992	288171773	/nfs/dbraw/zinc/17/17/73/288171773.db2.gz	HZVOMKHIAUUIDX-SNVBAGLBSA-N	0	0	324.337	0.738	10	5		DCBERN
Cc1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1[N+](=O)[O-]	ZINC000154139734	280777613	/nfs/dbraw/zinc/77/76/13/280777613.db2.gz	BAKLZTHVWHJIAV-CYBMUJFWSA-N	0	0	323.349	0.326	10	5		DCBERN
CC(=O)N1CC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1	ZINC000552352650	288273356	/nfs/dbraw/zinc/27/33/56/288273356.db2.gz	OLZMFVJIZGNOCR-SECBINFHSA-N	0	0	308.294	0.294	10	5		DCBERN
CC1(C)CNC(=O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000282170144	281278812	/nfs/dbraw/zinc/27/88/12/281278812.db2.gz	YOSNQPWCKDDSQL-UHFFFAOYSA-N	0	0	313.335	0.494	10	5		DCBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1=O	ZINC000155831761	525571826	/nfs/dbraw/zinc/57/18/26/525571826.db2.gz	HDPFQQQMVDQTHQ-QWRGUYRKSA-N	0	0	309.322	0.701	10	5		DCBERN
Cc1cnn(C[C@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)c1	ZINC000155903366	526264912	/nfs/dbraw/zinc/26/49/12/526264912.db2.gz	ABVMEHOYGGDGMY-SNVBAGLBSA-N	0	0	320.309	0.364	10	5		DCBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCCC[C@H]1CO	ZINC000161780741	526467906	/nfs/dbraw/zinc/46/79/06/526467906.db2.gz	AKUQZPXGRGLQBH-JQWIXIFHSA-N	0	0	311.342	0.642	10	5		DCBERN
Nc1c(C(=O)N2CC(NC(=O)C3CC3)C2)cccc1[N+](=O)[O-]	ZINC000189507003	527424733	/nfs/dbraw/zinc/42/47/33/527424733.db2.gz	BMXAZIFEWQXOGU-UHFFFAOYSA-N	0	0	304.306	0.528	10	5		DCBERN
Nc1nc(N2CCN(CC3CCCC3)C(=O)C2)ncc1[N+](=O)[O-]	ZINC000158405759	527557122	/nfs/dbraw/zinc/55/71/22/527557122.db2.gz	BHLUKLASPJUCDX-UHFFFAOYSA-N	0	0	320.353	0.806	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)NCC[C@@H](O)c1ccccc1	ZINC000742823912	667799867	/nfs/dbraw/zinc/79/98/67/667799867.db2.gz	DHVYAXOPQAOIQD-LLVKDONJSA-N	0	0	305.294	0.426	10	5		DCBERN
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N1CCNC(=O)C1	ZINC000078480200	670051007	/nfs/dbraw/zinc/05/10/07/670051007.db2.gz	CIMLWRZMMHLTCD-JTQLQIEISA-N	0	0	318.333	0.304	10	5		DCBERN
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CCC[C@@H]1O	ZINC000178650828	773944524	/nfs/dbraw/zinc/94/45/24/773944524.db2.gz	RJCFTIVOCJXRRN-IUCAKERBSA-N	0	0	304.299	0.926	10	5		DCBERN
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1N1CCOCC1	ZINC000173858689	198260910	/nfs/dbraw/zinc/26/09/10/198260910.db2.gz	OIRVCLWQNJWDBR-WDEREUQCSA-N	0	0	309.322	0.981	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@](O)(C(F)(F)F)C2)n1	ZINC000191824059	237454310	/nfs/dbraw/zinc/45/43/10/237454310.db2.gz	DGTAIAROERDNEV-SNVBAGLBSA-N	0	0	322.243	0.951	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(C)=O)CC2(C)C)n1	ZINC000191699625	237455066	/nfs/dbraw/zinc/45/50/66/237455066.db2.gz	UOZCVGCDOJOTFA-UHFFFAOYSA-N	0	0	323.353	0.894	10	5		DCBERN
CCOc1ncnc(N(CCOC)CCOC)c1[N+](=O)[O-]	ZINC000040618337	183109804	/nfs/dbraw/zinc/10/98/04/183109804.db2.gz	AYWLVAKWCAYBHG-UHFFFAOYSA-N	0	0	300.315	0.883	10	5		DCBERN
O=C(c1[nH]nc([N+](=O)[O-])c1Br)N1CCOCC1	ZINC000000974873	395680667	/nfs/dbraw/zinc/68/06/67/395680667.db2.gz	IBBXQNSOLWLJTB-UHFFFAOYSA-N	0	0	305.088	0.553	10	5		DCBERN
C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@@H]1O	ZINC000092977407	395735043	/nfs/dbraw/zinc/73/50/43/395735043.db2.gz	IFQFIQZZNQBXCQ-KWQFWETISA-N	0	0	315.351	0.449	10	5		DCBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN(C2CC2)CC1	ZINC000162025747	396078369	/nfs/dbraw/zinc/07/83/69/396078369.db2.gz	URDFCTGHVMFOPR-UHFFFAOYSA-N	0	0	308.342	0.281	10	5		DCBERN
Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)CO)cc1[N+](=O)[O-]	ZINC000177798818	396184110	/nfs/dbraw/zinc/18/41/10/396184110.db2.gz	MXVHRRVIMOPDEQ-VHSXEESVSA-N	0	0	309.322	0.975	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCn1ccnn1	ZINC000182999567	396258185	/nfs/dbraw/zinc/25/81/85/396258185.db2.gz	NPTUZJXPGWKDLE-UHFFFAOYSA-N	0	0	307.314	0.288	10	5		DCBERN
COCC(=O)NC1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000185087216	396316919	/nfs/dbraw/zinc/31/69/19/396316919.db2.gz	UXRTWUFHCLKUGH-CYBMUJFWSA-N	0	0	309.322	0.075	10	5		DCBERN
NC(=O)c1ccc(CN2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1	ZINC000185147173	396319303	/nfs/dbraw/zinc/31/93/03/396319303.db2.gz	WEZSVBRYLDYQJR-HNNXBMFYSA-N	0	0	321.333	0.685	10	5		DCBERN
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)[C@H]2C1	ZINC000285987691	396367908	/nfs/dbraw/zinc/36/79/08/396367908.db2.gz	YDCOTTOPJQXPHQ-UONOGXRCSA-N	0	0	321.333	0.846	10	5		DCBERN
COc1cc(NC[C@H](O)CN2CCOCC2)ccc1[N+](=O)[O-]	ZINC000269338563	396408064	/nfs/dbraw/zinc/40/80/64/396408064.db2.gz	GHKYQLHQUXLABG-LBPRGKRZSA-N	0	0	311.338	0.708	10	5		DCBERN
O=C1NCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000594791759	396515997	/nfs/dbraw/zinc/51/59/97/396515997.db2.gz	OIRULARSEXWKCT-QMMMGPOBSA-N	0	0	319.726	0.415	10	5		DCBERN
CC(=O)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)[C@H](C)C1	ZINC000588000437	396674002	/nfs/dbraw/zinc/67/40/02/396674002.db2.gz	XAOXEYSVRCDSMH-SECBINFHSA-N	0	0	308.338	0.726	10	5		DCBERN
O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN2CCOC[C@H]2C1	ZINC000374972909	396702041	/nfs/dbraw/zinc/70/20/41/396702041.db2.gz	YKMNWEAXXUQXTL-LLVKDONJSA-N	0	0	309.297	0.891	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@H]1Nc1cc(C)c([N+](=O)[O-])cn1	ZINC000596437675	396777721	/nfs/dbraw/zinc/77/77/21/396777721.db2.gz	XVIFWQFALWJALY-SCZZXKLOSA-N	0	0	301.324	0.522	10	5		DCBERN
Cc1cc([N+](=O)[O-])cnc1N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000596479458	396783203	/nfs/dbraw/zinc/78/32/03/396783203.db2.gz	SZGNRABQAAVMDS-SNVBAGLBSA-N	0	0	314.367	0.768	10	5		DCBERN
CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCCc2c1cnn2C	ZINC000610976895	396796450	/nfs/dbraw/zinc/79/64/50/396796450.db2.gz	FCAUBANMLPTFNZ-JTQLQIEISA-N	0	0	319.325	0.456	10	5		DCBERN
NC(=O)N[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1	ZINC000611287534	396849827	/nfs/dbraw/zinc/84/98/27/396849827.db2.gz	RDCLUYSRRIRNBQ-JTQLQIEISA-N	0	0	322.321	0.609	10	5		DCBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2CS(N)(=O)=O)n1	ZINC000611617491	396895842	/nfs/dbraw/zinc/89/58/42/396895842.db2.gz	CFLXWDPOIUWTKQ-SNVBAGLBSA-N	0	0	314.367	0.864	10	5		DCBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](NS(C)(=O)=O)C2)n1	ZINC000611616465	396895858	/nfs/dbraw/zinc/89/58/58/396895858.db2.gz	RSKPFFZRTWOSDG-SNVBAGLBSA-N	0	0	314.367	0.735	10	5		DCBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)NCCn2ccnn2)c1	ZINC000611791193	396930709	/nfs/dbraw/zinc/93/07/09/396930709.db2.gz	RUQKXGBMHKAJPG-UHFFFAOYSA-N	0	0	311.323	0.306	10	5		DCBERN
COC[C@@](C)(CO)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1	ZINC000619544254	397147393	/nfs/dbraw/zinc/14/73/93/397147393.db2.gz	BSIMFODZYVCCJM-CQSZACIVSA-N	0	0	312.322	0.796	10	5		DCBERN
CCN1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C1=O	ZINC000619802959	397196268	/nfs/dbraw/zinc/19/62/68/397196268.db2.gz	SNCHLADRVUWLJD-JTQLQIEISA-N	0	0	309.326	0.227	10	5		DCBERN
CNC(=O)CN1CCCN(c2nccc(C)c2[N+](=O)[O-])CC1	ZINC000365890565	397330197	/nfs/dbraw/zinc/33/01/97/397330197.db2.gz	IVFHTDWQFJLJHJ-UHFFFAOYSA-N	0	0	307.354	0.556	10	5		DCBERN
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCNC(=O)CC1	ZINC000054257972	158019934	/nfs/dbraw/zinc/01/99/34/158019934.db2.gz	KQGWCXSGQLVGAX-SNVBAGLBSA-N	0	0	306.322	0.744	10	5		DCBERN
CCCN(CC(=O)NC)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000066001368	158034035	/nfs/dbraw/zinc/03/40/35/158034035.db2.gz	SNCDDFRXMUXMCE-UHFFFAOYSA-N	0	0	321.380	0.803	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@H]2CCC[C@@H](C1)C2O	ZINC000172354204	158394157	/nfs/dbraw/zinc/39/41/57/158394157.db2.gz	GVGCXIIJRSJVFF-YWXMQNBFSA-N	0	0	321.333	0.376	10	5		DCBERN
CN(CC(=O)N1CCCN(C)C(=O)C1)c1ccccc1[N+](=O)[O-]	ZINC000189753992	158554832	/nfs/dbraw/zinc/55/48/32/158554832.db2.gz	YNNVPYUIZKSRPX-UHFFFAOYSA-N	0	0	320.349	0.722	10	5		DCBERN
CN1CCOC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000408040691	160019478	/nfs/dbraw/zinc/01/94/78/160019478.db2.gz	CLXFZQAUKWLNJZ-AWEZNQCLSA-N	0	0	305.334	0.810	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)n1	ZINC000408095748	160034919	/nfs/dbraw/zinc/03/49/19/160034919.db2.gz	PVFIHZNSCZVTET-SNVBAGLBSA-N	0	0	322.243	0.858	10	5		DCBERN
CCn1cc(S(=O)(=O)N2CCOC[C@@H]2C)c([N+](=O)[O-])n1	ZINC000408405798	160102157	/nfs/dbraw/zinc/10/21/57/160102157.db2.gz	KRLPHVPBEPIJDS-QMMMGPOBSA-N	0	0	304.328	0.221	10	5		DCBERN
NC(=O)[C@@H]1CCC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1	ZINC000132882523	287007621	/nfs/dbraw/zinc/00/76/21/287007621.db2.gz	VKEDNZGIJCZLGX-NXEZZACHSA-N	0	0	309.326	0.342	10	5		DCBERN
Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1[N+](=O)[O-]	ZINC000266161061	287129807	/nfs/dbraw/zinc/12/98/07/287129807.db2.gz	ITKBYEMCKITHPR-MWLCHTKSSA-N	0	0	323.353	0.419	10	5		DCBERN
Cc1nn(C)c(N2CCS(=O)(=O)C(C)(C)C2)c1[N+](=O)[O-]	ZINC000268235771	415183378	/nfs/dbraw/zinc/18/33/78/415183378.db2.gz	MLLITPDGUIKCCG-UHFFFAOYSA-N	0	0	302.356	0.650	10	5		DCBERN
CN1CCO[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21	ZINC000153084982	415975361	/nfs/dbraw/zinc/97/53/61/415975361.db2.gz	AIPKGEUPLLGPNT-QWHCGFSZSA-N	0	0	309.297	0.889	10	5		DCBERN
CC(C)C(=O)N1CCC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000164419381	416016344	/nfs/dbraw/zinc/01/63/44/416016344.db2.gz	NCNHXTPZQGVWEU-GFCCVEGCSA-N	0	0	323.353	0.555	10	5		DCBERN
COc1ccc(C(=O)NCC(=O)N[C@H]2C[C@H]2C)cc1[N+](=O)[O-]	ZINC000170807651	416034183	/nfs/dbraw/zinc/03/41/83/416034183.db2.gz	SFGHTNHZJMITKP-SCZZXKLOSA-N	0	0	307.306	0.858	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)n1	ZINC000191666135	416289267	/nfs/dbraw/zinc/28/92/67/416289267.db2.gz	LNZRDIBHXXJRLN-NEPJUHHUSA-N	0	0	324.337	0.831	10	5		DCBERN
COC(=O)[C@H](C)N(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CCC1	ZINC000360414357	416389161	/nfs/dbraw/zinc/38/91/61/416389161.db2.gz	PRSRRBNEVHTZCZ-QMMMGPOBSA-N	0	0	311.298	0.129	10	5		DCBERN
CCOc1ccc(C(=O)N[C@@H]2CN(C)NC2=O)cc1[N+](=O)[O-]	ZINC000450607544	417246003	/nfs/dbraw/zinc/24/60/03/417246003.db2.gz	ALRAPKPIAMREID-SECBINFHSA-N	0	0	308.294	0.069	10	5		DCBERN
CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCOC(C)(C)C1	ZINC000362317458	262021707	/nfs/dbraw/zinc/02/17/07/262021707.db2.gz	JWGKPBUFDFIZCZ-JTQLQIEISA-N	0	0	311.342	0.992	10	5		DCBERN
O=C(Nc1ccncc1[N+](=O)[O-])N1CCSC[C@H]1CCO	ZINC000359043612	271093334	/nfs/dbraw/zinc/09/33/34/271093334.db2.gz	VSFIGVGCODCEHX-SECBINFHSA-N	0	0	312.351	0.743	10	5		DCBERN
Cc1cc(C(=O)NC[C@H](O)CN2CCOCC2)cc([N+](=O)[O-])c1	ZINC000121979817	280350056	/nfs/dbraw/zinc/35/00/56/280350056.db2.gz	XYOXJFSHMNTQOU-AWEZNQCLSA-N	0	0	323.349	0.326	10	5		DCBERN
Nc1c(C(=O)N2CCO[C@]3(CCOC3)C2)cccc1[N+](=O)[O-]	ZINC000183832957	295345500	/nfs/dbraw/zinc/34/55/00/295345500.db2.gz	QXFZQCGCWJFYAW-CQSZACIVSA-N	0	0	307.306	0.809	10	5		DCBERN
C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCN1CCO	ZINC000188785733	534306336	/nfs/dbraw/zinc/30/63/36/534306336.db2.gz	QZUGJEFBVWFPKB-GFCCVEGCSA-N	0	0	323.349	0.499	10	5		DCBERN
COC(=O)Cn1cc(CCOc2ccccc2[N+](=O)[O-])nn1	ZINC000159125193	523393553	/nfs/dbraw/zinc/39/35/53/523393553.db2.gz	CDQJNEHLEBHIFS-UHFFFAOYSA-N	0	0	306.278	0.981	10	5		DCBERN
CC[S@@](=O)CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000733899010	666824539	/nfs/dbraw/zinc/82/45/39/666824539.db2.gz	BHWAYJVVHPBKDN-LJQANCHMSA-N	0	0	320.392	0.950	10	5		DCBERN
CC(C)CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000042893647	669830164	/nfs/dbraw/zinc/83/01/64/669830164.db2.gz	BYTDUNCGIOPHBZ-CHWSQXEVSA-N	0	0	311.338	0.944	10	5		DCBERN
C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000037647600	1171441608	/nfs/dbraw/zinc/44/16/08/1171441608.db2.gz	ODXQMGRCWNXHEF-VIFPVBQESA-N	0	0	315.351	0.530	10	5		DCBERN
O=[N+]([O-])c1cnc(NCCS(=O)(=O)N2CCCC2)nc1	ZINC000721856694	944939325	/nfs/dbraw/zinc/93/93/25/944939325.db2.gz	YESFNRHKPUKVGH-UHFFFAOYSA-N	0	0	301.328	0.222	10	5		DCBERN
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O)C1CC1	ZINC000069078993	190797156	/nfs/dbraw/zinc/79/71/56/190797156.db2.gz	IPEGIVXYGMTOAP-UHFFFAOYSA-N	0	0	310.287	0.718	10	5		DCBERN
CN(CC(=O)N[C@H]1CCC(=O)N(C)C1)c1ccccc1[N+](=O)[O-]	ZINC000080400248	192154624	/nfs/dbraw/zinc/15/46/24/192154624.db2.gz	DEGZKLCKJVHFHS-NSHDSACASA-N	0	0	320.349	0.768	10	5		DCBERN
C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1c([N+](=O)[O-])ncn1C	ZINC000408310453	291302692	/nfs/dbraw/zinc/30/26/92/291302692.db2.gz	SCLNHPBFBYFIEB-IUCAKERBSA-N	0	0	302.356	0.336	10	5		DCBERN
Cc1n[nH]c(C(=O)N2CCN(C(=O)C(C)C)CC2)c1[N+](=O)[O-]	ZINC000299501116	533661046	/nfs/dbraw/zinc/66/10/46/533661046.db2.gz	CVAGGCHEDJLKLN-UHFFFAOYSA-N	0	0	309.326	0.567	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CC(O)C1	ZINC000091525812	395726010	/nfs/dbraw/zinc/72/60/10/395726010.db2.gz	UTBDLJJKDGOWME-UHFFFAOYSA-N	0	0	316.335	0.653	10	5		DCBERN
COC(=O)C[C@H]1C(=O)NCCN1Cc1csc([N+](=O)[O-])c1	ZINC000047264988	395789715	/nfs/dbraw/zinc/78/97/15/395789715.db2.gz	XYVZKAMXXCWPRN-VIFPVBQESA-N	0	0	313.335	0.520	10	5		DCBERN
CS(=O)(=O)Oc1cc([N+](=O)[O-])ccc1C(=O)NC1CC1	ZINC000145495609	395964560	/nfs/dbraw/zinc/96/45/60/395964560.db2.gz	CTLIAOOIYGLBEB-UHFFFAOYSA-N	0	0	300.292	0.825	10	5		DCBERN
Cc1nccn1C[C@@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000177205876	396169436	/nfs/dbraw/zinc/16/94/36/396169436.db2.gz	XWXIFPYREOPIFE-LBPRGKRZSA-N	0	0	318.337	0.987	10	5		DCBERN
COc1cccc(NC[C@H](O)CN2CCOCC2)c1[N+](=O)[O-]	ZINC000185114994	396317950	/nfs/dbraw/zinc/31/79/50/396317950.db2.gz	VAWFAGAKJFDVGM-NSHDSACASA-N	0	0	311.338	0.708	10	5		DCBERN
NS(=O)(=O)c1ccc(N(CCO)C2CC2)c([N+](=O)[O-])c1	ZINC000267927052	396358706	/nfs/dbraw/zinc/35/87/06/396358706.db2.gz	KMVINUGCEIVTOR-UHFFFAOYSA-N	0	0	301.324	0.203	10	5		DCBERN
CN1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O	ZINC000191151237	396416120	/nfs/dbraw/zinc/41/61/20/396416120.db2.gz	YJLIAVAGURKRHC-LBPRGKRZSA-N	0	0	323.349	0.499	10	5		DCBERN
CN1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O	ZINC000188210443	396380582	/nfs/dbraw/zinc/38/05/82/396380582.db2.gz	BHEFZPZNNWGOOB-UHFFFAOYSA-N	0	0	313.335	0.448	10	5		DCBERN
COC[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	ZINC000610950204	396790890	/nfs/dbraw/zinc/79/08/90/396790890.db2.gz	QESWSQHYJHNXFW-VIFPVBQESA-N	0	0	312.278	0.103	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)n1	ZINC000611219036	396836795	/nfs/dbraw/zinc/83/67/95/396836795.db2.gz	IXWUYVMOGCRCEY-SECBINFHSA-N	0	0	307.310	0.212	10	5		DCBERN
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]1CS(N)(=O)=O	ZINC000611398748	396861751	/nfs/dbraw/zinc/86/17/51/396861751.db2.gz	UKJCOIWOISTPCO-SECBINFHSA-N	0	0	300.340	0.556	10	5		DCBERN
CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCCN(CCO)C1=O	ZINC000619490883	397138951	/nfs/dbraw/zinc/13/89/51/397138951.db2.gz	PZRQXJLRDBGVMX-JTQLQIEISA-N	0	0	311.342	0.515	10	5		DCBERN
CCN1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2NC)C1=O	ZINC000619825740	397197912	/nfs/dbraw/zinc/19/79/12/397197912.db2.gz	ZWIPSFYXFULCCO-SNVBAGLBSA-N	0	0	306.322	0.987	10	5		DCBERN
CCc1nn(C)c(N2CCC[C@@]3(CNC(=O)C3)C2)c1[N+](=O)[O-]	ZINC000408076869	397345959	/nfs/dbraw/zinc/34/59/59/397345959.db2.gz	OZUFLIQIIAONTB-CQSZACIVSA-N	0	0	307.354	0.997	10	5		DCBERN
CCOc1ccc(C(=O)N2CCNC(=O)CC2)cc1[N+](=O)[O-]	ZINC000065903503	158034393	/nfs/dbraw/zinc/03/43/93/158034393.db2.gz	QRNQDLCUXCGDFJ-UHFFFAOYSA-N	0	0	307.306	0.956	10	5		DCBERN
O=C1NCCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000066327742	158036661	/nfs/dbraw/zinc/03/66/61/158036661.db2.gz	BPKLASCIXVYABP-SSDOTTSWSA-N	0	0	319.364	0.603	10	5		DCBERN
CSc1ccc(C(=O)NC[C@](C)(O)CO)cc1[N+](=O)[O-]	ZINC000090286548	158103378	/nfs/dbraw/zinc/10/33/78/158103378.db2.gz	SAABQBOIVXPLNG-LBPRGKRZSA-N	0	0	300.336	0.790	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2ncnn2C1	ZINC000112661008	158144329	/nfs/dbraw/zinc/14/43/29/158144329.db2.gz	RBZGZRCLZKBZNL-VIFPVBQESA-N	0	0	302.294	0.635	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCS(=O)(=O)[C@@H](C)C1	ZINC000122465190	158221060	/nfs/dbraw/zinc/22/10/60/158221060.db2.gz	XRMOEJLWQAMRKL-QMMMGPOBSA-N	0	0	313.335	0.557	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1(C(N)=O)CCOCC1	ZINC000124757453	158246376	/nfs/dbraw/zinc/24/63/76/158246376.db2.gz	XUGOQYRBZRJFGG-UHFFFAOYSA-N	0	0	321.333	0.915	10	5		DCBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000127802828	158275409	/nfs/dbraw/zinc/27/54/09/158275409.db2.gz	RDLMWKATPKTSEJ-FZMZJTMJSA-N	0	0	308.338	0.945	10	5		DCBERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000177679970	158449839	/nfs/dbraw/zinc/44/98/39/158449839.db2.gz	WQZJOLCXHZGMDF-JTQLQIEISA-N	0	0	305.298	0.343	10	5		DCBERN
Cc1n[nH]c(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-]	ZINC000408028466	160015965	/nfs/dbraw/zinc/01/59/65/160015965.db2.gz	DTJAFGDALRBTLO-VHSXEESVSA-N	0	0	309.326	0.171	10	5		DCBERN
CC(C)(C(=O)N1CC[C@@]2(CNC(=O)C2)C1)n1cc([N+](=O)[O-])cn1	ZINC000408269636	160072734	/nfs/dbraw/zinc/07/27/34/160072734.db2.gz	DPHATFMBQIFCKW-CQSZACIVSA-N	0	0	321.337	0.265	10	5		DCBERN
CN1CCO[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]21	ZINC000408290333	160077469	/nfs/dbraw/zinc/07/74/69/160077469.db2.gz	OMWLWPDARKXCAC-OLZOCXBDSA-N	0	0	309.297	0.889	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)NC[C@H]2C1	ZINC000408386346	160097719	/nfs/dbraw/zinc/09/77/19/160097719.db2.gz	RFRXVWDBAWXZEZ-JTQLQIEISA-N	0	0	305.294	0.148	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cnc(N(C)C)nc1	ZINC000126048483	286969192	/nfs/dbraw/zinc/96/91/92/286969192.db2.gz	JYSSBPROXBKUAB-UHFFFAOYSA-N	0	0	305.298	0.594	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H](C)O	ZINC000085990945	415504210	/nfs/dbraw/zinc/50/42/10/415504210.db2.gz	VTLYGDWKOZSADE-MRVPVSSYSA-N	0	0	304.324	0.653	10	5		DCBERN
Cn1cc(C(N)=O)cc1C(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000128577744	415902726	/nfs/dbraw/zinc/90/27/26/415902726.db2.gz	LETUEFBVXOPUDG-UHFFFAOYSA-N	0	0	302.290	0.962	10	5		DCBERN
O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCc2ncnn2C1	ZINC000133342003	415942914	/nfs/dbraw/zinc/94/29/14/415942914.db2.gz	AMLWFNFUAJCGGA-QMMMGPOBSA-N	0	0	303.282	0.718	10	5		DCBERN
CC(=O)NCCCN(C)c1nc2ccccn2c(=O)c1[N+](=O)[O-]	ZINC000301271080	416080136	/nfs/dbraw/zinc/08/01/36/416080136.db2.gz	HDJNXZVOKYOZOG-UHFFFAOYSA-N	0	0	319.321	0.565	10	5		DCBERN
CN1CCO[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1	ZINC000170683857	416028255	/nfs/dbraw/zinc/02/82/55/416028255.db2.gz	FUCMSBMENNQIRO-GFCCVEGCSA-N	0	0	323.349	0.811	10	5		DCBERN
CN1CCO[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1	ZINC000170683678	416029496	/nfs/dbraw/zinc/02/94/96/416029496.db2.gz	ZCFITCMEGXTQNH-NSHDSACASA-N	0	0	308.338	0.454	10	5		DCBERN
CCNC(=O)C1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1	ZINC000301946684	416098276	/nfs/dbraw/zinc/09/82/76/416098276.db2.gz	XQRWZZVTJNYZOF-UHFFFAOYSA-N	0	0	318.337	0.990	10	5		DCBERN
Nc1c(C(=O)NC[C@@H]2CN3CCN2CC3)cc(F)cc1[N+](=O)[O-]	ZINC000178973039	416179228	/nfs/dbraw/zinc/17/92/28/416179228.db2.gz	DGISYZYTDXVSNI-SNVBAGLBSA-N	0	0	323.328	0.046	10	5		DCBERN
CC[C@H](CO)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1	ZINC000179393516	416186590	/nfs/dbraw/zinc/18/65/90/416186590.db2.gz	KFWDAXRUCRRYHQ-GFCCVEGCSA-N	0	0	322.365	0.827	10	5		DCBERN
CN1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1=O	ZINC000192659514	416310295	/nfs/dbraw/zinc/31/02/95/416310295.db2.gz	PSZVMICKKVKFBE-ZETCQYMHSA-N	0	0	319.364	0.555	10	5		DCBERN
CC(C)O[C@@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1(C)C	ZINC000362083560	416558884	/nfs/dbraw/zinc/55/88/84/416558884.db2.gz	QIWDCODUHKZCGQ-NXEZZACHSA-N	0	0	311.342	0.895	10	5		DCBERN
CS(=O)(=O)CC1(CCNc2ncc([N+](=O)[O-])cn2)CC1	ZINC000596316590	416581642	/nfs/dbraw/zinc/58/16/42/416581642.db2.gz	LPKUVVRMLHSKMN-UHFFFAOYSA-N	0	0	300.340	1.012	10	5		DCBERN
CN(CCCO)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000442991192	416725314	/nfs/dbraw/zinc/72/53/14/416725314.db2.gz	LLOMBLIRPVXTMG-UHFFFAOYSA-N	0	0	324.337	0.235	10	5		DCBERN
C[C@@H](CC(N)=O)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443767350	416781246	/nfs/dbraw/zinc/78/12/46/416781246.db2.gz	AQBLVXZKNCRVQW-QMMMGPOBSA-N	0	0	301.324	0.278	10	5		DCBERN
Cc1cc(C)c(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1CO	ZINC000615895179	416929461	/nfs/dbraw/zinc/92/94/61/416929461.db2.gz	WHTZZBWFYGRPHZ-UHFFFAOYSA-N	0	0	305.294	0.934	10	5		DCBERN
CCOC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC12COC2	ZINC000450573963	417238887	/nfs/dbraw/zinc/23/88/87/417238887.db2.gz	YPWIBKZCVNDBLJ-JTQLQIEISA-N	0	0	322.321	0.709	10	5		DCBERN
COc1ccc(CC(=O)N(C)Cc2nnnn2C)cc1[N+](=O)[O-]	ZINC000532068580	417655202	/nfs/dbraw/zinc/65/52/02/417655202.db2.gz	CIQYTONPCCPIJV-UHFFFAOYSA-N	0	0	320.309	0.328	10	5		DCBERN
O=[N+]([O-])c1cccc(F)c1OC[C@H](O)CN1CCOCC1	ZINC000184776754	261119159	/nfs/dbraw/zinc/11/91/59/261119159.db2.gz	VIYXTVLNYLGNCE-SNVBAGLBSA-N	0	0	300.286	0.806	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(N3CCN([C@H]4CCOC4)CC3)nn21	ZINC000362403020	262029412	/nfs/dbraw/zinc/02/94/12/262029412.db2.gz	RUXCPXFFHYDLQP-NSHDSACASA-N	0	0	318.337	0.548	10	5		DCBERN
CC(C)(C)OC(=O)CCCNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000362693441	262061026	/nfs/dbraw/zinc/06/10/26/262061026.db2.gz	AGFPENWRHDDQRC-UHFFFAOYSA-N	0	0	313.314	0.424	10	5		DCBERN
NC(=O)[C@H]1COCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1	ZINC000091782872	279592141	/nfs/dbraw/zinc/59/21/41/279592141.db2.gz	IVSXCIDTNCQCSC-SNVBAGLBSA-N	0	0	313.697	0.575	10	5		DCBERN
C[C@H](C(N)=O)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1	ZINC000302041641	289393323	/nfs/dbraw/zinc/39/33/23/289393323.db2.gz	NVSXEWSRZRAQNZ-SNVBAGLBSA-N	0	0	308.338	0.083	10	5		DCBERN
NC(=O)c1ccc(N2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])c1	ZINC000184348044	303344253	/nfs/dbraw/zinc/34/42/53/303344253.db2.gz	NAPDCLSWDNPDDK-CQSZACIVSA-N	0	0	307.306	0.689	10	5		DCBERN
COc1cc(C(=O)NC[C@H]2CN(C)CCO2)cc([N+](=O)[O-])c1C	ZINC000190746694	522123624	/nfs/dbraw/zinc/12/36/24/522123624.db2.gz	JAHYHFUOTSQKIS-LBPRGKRZSA-N	0	0	323.349	0.972	10	5		DCBERN
CCc1n[nH]c(C(=O)N2CC(NC(=O)C3CCC3)C2)c1[N+](=O)[O-]	ZINC000188508209	523667073	/nfs/dbraw/zinc/66/70/73/523667073.db2.gz	DJUUQXFYCCVRSZ-UHFFFAOYSA-N	0	0	321.337	0.621	10	5		DCBERN
COc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)CO)cc1[N+](=O)[O-]	ZINC000158784970	525074234	/nfs/dbraw/zinc/07/42/34/525074234.db2.gz	SBXRQLGFNHWQAF-RKDXNWHRSA-N	0	0	318.351	0.899	10	5		DCBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCC[C@H]1O	ZINC000161539470	526467244	/nfs/dbraw/zinc/46/72/44/526467244.db2.gz	XKVDSHGNUPACCV-ZYHUDNBSSA-N	0	0	311.342	0.642	10	5		DCBERN
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@H]2C1	ZINC000285114302	536480050	/nfs/dbraw/zinc/48/00/50/536480050.db2.gz	VAEQHAWWJDETCO-WCQYABFASA-N	0	0	321.333	0.846	10	5		DCBERN
CCOc1cccc(CCNc2ncc([N+](=O)[O-])c(N)n2)n1	ZINC000610755563	546313075	/nfs/dbraw/zinc/31/30/75/546313075.db2.gz	VQHSPDHVETYEAQ-UHFFFAOYSA-N	0	0	304.310	0.837	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@H](C)O	ZINC000344893722	657927992	/nfs/dbraw/zinc/92/79/92/657927992.db2.gz	LCPCVAIAXUDZBB-YUMQZZPRSA-N	0	0	304.324	0.651	10	5		DCBERN
O=[N+]([O-])c1ccc(NCCS(=O)(=O)N2CCOCC2)cn1	ZINC000735486508	666991107	/nfs/dbraw/zinc/99/11/07/666991107.db2.gz	FJMZUCBPEZUASX-UHFFFAOYSA-N	0	0	316.339	0.064	10	5		DCBERN
O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccncc1	ZINC000120110500	667260254	/nfs/dbraw/zinc/26/02/54/667260254.db2.gz	JATLYVHHUZOKHB-KGLIPLIRSA-N	0	0	317.301	0.814	10	5		DCBERN
C[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(N)=O	ZINC000035148451	668660915	/nfs/dbraw/zinc/66/09/15/668660915.db2.gz	KWCZRYRDKYAXJL-RXMQYKEDSA-N	0	0	316.111	0.961	10	5		DCBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cnn(C2C[NH2+]C2)c1	ZINC000757067502	670348102	/nfs/dbraw/zinc/34/81/02/670348102.db2.gz	RAJLJOMHYWYMEP-UHFFFAOYSA-N	0	0	323.334	0.736	10	5		DCBERN
C[C@@H](CS(C)(=O)=O)NC(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000714042502	941413545	/nfs/dbraw/zinc/41/35/45/941413545.db2.gz	XSQUIJLOCUXVEV-ZETCQYMHSA-N	0	0	304.299	0.897	10	5		DCBERN
CN(CC(=O)NC[C@@H]1CN(C)CCO1)c1ccccc1[N+](=O)[O-]	ZINC000172922428	198168442	/nfs/dbraw/zinc/16/84/42/198168442.db2.gz	OXVPSGBKBULQDZ-GFCCVEGCSA-N	0	0	322.365	0.478	10	5		DCBERN
C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCN1CCO	ZINC000188785753	237380444	/nfs/dbraw/zinc/38/04/44/237380444.db2.gz	QZUGJEFBVWFPKB-LBPRGKRZSA-N	0	0	323.349	0.499	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(CCO)[C@H](C)C1	ZINC000188687585	200288211	/nfs/dbraw/zinc/28/82/11/200288211.db2.gz	IZUZITAMRSWBCS-SNVBAGLBSA-N	0	0	308.338	0.437	10	5		DCBERN
CC[C@@H](O)CN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1	ZINC000106392461	194205479	/nfs/dbraw/zinc/20/54/79/194205479.db2.gz	YXZFAUZKFRMBCT-GFCCVEGCSA-N	0	0	322.365	0.706	10	5		DCBERN
NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)NC2CCCCC2)c1=O	ZINC000347823404	254194769	/nfs/dbraw/zinc/19/47/69/254194769.db2.gz	XZWWFGUQTDHRRS-UHFFFAOYSA-N	0	0	322.321	0.304	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)S(N)(=O)=O	ZINC000350622323	254320173	/nfs/dbraw/zinc/32/01/73/254320173.db2.gz	ZFNWKWIGFPSJLI-QMMMGPOBSA-N	0	0	301.324	0.310	10	5		DCBERN
C[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC(=O)N1C	ZINC000282306281	130913335	/nfs/dbraw/zinc/91/33/35/130913335.db2.gz	IONQWBACKGQPKX-MRVPVSSYSA-N	0	0	321.289	0.626	10	5		DCBERN
CCOC(=O)c1nc2ncc(-c3n[nH]cc3[N+](=O)[O-])cn2n1	ZINC000000370704	395680250	/nfs/dbraw/zinc/68/02/50/395680250.db2.gz	JMOFLJXUNMAKBO-UHFFFAOYSA-N	0	0	303.238	0.599	10	5		DCBERN
COC(=O)[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1	ZINC000195082192	395814956	/nfs/dbraw/zinc/81/49/56/395814956.db2.gz	OOLOIHITRYRABG-ZDUSSCGKSA-N	0	0	318.289	0.822	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC(=O)N(C)C1	ZINC000133828981	395929477	/nfs/dbraw/zinc/92/94/77/395929477.db2.gz	ZUHUAOTYFSFQTJ-VIFPVBQESA-N	0	0	307.306	0.954	10	5		DCBERN
CNC(=O)[C@@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000053318306	395880304	/nfs/dbraw/zinc/88/03/04/395880304.db2.gz	PMWIXTTXYONWRI-LBPRGKRZSA-N	0	0	307.306	0.711	10	5		DCBERN
C[NH+](C)C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCO1	ZINC000152089848	396000539	/nfs/dbraw/zinc/00/05/39/396000539.db2.gz	CGQMGTUCUZMPNZ-JTQLQIEISA-N	0	0	309.322	0.703	10	5		DCBERN
CN1CCO[C@@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@@H]21	ZINC000152952827	396018900	/nfs/dbraw/zinc/01/89/00/396018900.db2.gz	YOJUVEFHGFHINC-NWDGAFQWSA-N	0	0	323.353	0.068	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCn3ncnc32)cc1	ZINC000176748629	396159977	/nfs/dbraw/zinc/15/99/77/396159977.db2.gz	CWQHYJYRJNLDOT-NSHDSACASA-N	0	0	323.334	1.000	10	5		DCBERN
CC[N@H+](CC(=O)[O-])C1CC(Nc2ncc([N+](=O)[O-])c(N)n2)C1	ZINC000263539901	396220157	/nfs/dbraw/zinc/22/01/57/396220157.db2.gz	BYXKKAQFUVWUKO-UHFFFAOYSA-N	0	0	310.314	0.316	10	5		DCBERN
CC(C)C[C@H](CO)N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000186658177	396354555	/nfs/dbraw/zinc/35/45/55/396354555.db2.gz	UVCOGSHZPLEVTI-GFCCVEGCSA-N	0	0	311.338	0.622	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1c(F)cccc1[N+](=O)[O-]	ZINC000596438007	396777905	/nfs/dbraw/zinc/77/79/05/396777905.db2.gz	ZCPMTHXROQJDMS-WPRPVWTQSA-N	0	0	304.299	0.958	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@H]1Nc1nccc(C)c1[N+](=O)[O-]	ZINC000596431789	396774834	/nfs/dbraw/zinc/77/48/34/396774834.db2.gz	CINITQSCVJFPBP-BDAKNGLRSA-N	0	0	301.324	0.522	10	5		DCBERN
C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CC1=O	ZINC000611236598	396841575	/nfs/dbraw/zinc/84/15/75/396841575.db2.gz	KXFQQIMPLNDIST-IWSPIJDZSA-N	0	0	307.310	0.067	10	5		DCBERN
CN(CC(=O)N1CCCC1)c1ccc2ncc([N+](=O)[O-])n2n1	ZINC000611239190	396843642	/nfs/dbraw/zinc/84/36/42/396843642.db2.gz	VHCXBWUBPIVVJT-UHFFFAOYSA-N	0	0	304.310	0.696	10	5		DCBERN
Cc1cc(N2CCC[C@H]2CS(N)(=O)=O)ncc1[N+](=O)[O-]	ZINC000611398678	396861149	/nfs/dbraw/zinc/86/11/49/396861149.db2.gz	FDTFJTPTHZRACN-VIFPVBQESA-N	0	0	300.340	0.556	10	5		DCBERN
CCc1n[nH]c(C(=O)NC2(CCO)CCOCC2)c1[N+](=O)[O-]	ZINC000618241106	396938943	/nfs/dbraw/zinc/93/89/43/396938943.db2.gz	SYEYJEIXZKXRTK-UHFFFAOYSA-N	0	0	312.326	0.542	10	5		DCBERN
Cc1nn(CCC(=O)NCc2cn(C)nn2)c(C)c1[N+](=O)[O-]	ZINC000611956366	396960454	/nfs/dbraw/zinc/96/04/54/396960454.db2.gz	DHFKFHQPJTVMIR-UHFFFAOYSA-N	0	0	307.314	0.243	10	5		DCBERN
COc1c(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-]	ZINC000619450227	397133059	/nfs/dbraw/zinc/13/30/59/397133059.db2.gz	SCZFGFGSNUHLSO-OAHLLOKOSA-N	0	0	319.317	0.956	10	5		DCBERN
CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@@H]1CCS(=O)(=O)C1	ZINC000619482505	397136737	/nfs/dbraw/zinc/13/67/37/397136737.db2.gz	LMVQACZUPXPXSP-JTQLQIEISA-N	0	0	316.383	0.991	10	5		DCBERN
CCN1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C1=O	ZINC000619802582	397195135	/nfs/dbraw/zinc/19/51/35/397195135.db2.gz	KAFKUDBBMANQFQ-JTQLQIEISA-N	0	0	307.306	0.954	10	5		DCBERN
C[C@@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000195480451	296573498	/nfs/dbraw/zinc/57/34/98/296573498.db2.gz	ZQALXSFLXZTTEK-HZGVNTEJSA-N	0	0	319.364	0.459	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C(N)=O)CC[C@H]1C	ZINC000065869403	158034456	/nfs/dbraw/zinc/03/44/56/158034456.db2.gz	MGYBFTVMJRJCDR-PSASIEDQSA-N	0	0	309.326	0.212	10	5		DCBERN
CN(CC1CC(O)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000091499319	158107828	/nfs/dbraw/zinc/10/78/28/158107828.db2.gz	UAPHRPPIKIDUFW-UHFFFAOYSA-N	0	0	300.336	0.986	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CO)C(C)C	ZINC000092407072	158113769	/nfs/dbraw/zinc/11/37/69/158113769.db2.gz	YEQAYVSNOPAUDK-SNVBAGLBSA-N	0	0	318.351	0.899	10	5		DCBERN
COCCCOC1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1	ZINC000119995547	158191835	/nfs/dbraw/zinc/19/18/35/158191835.db2.gz	QIJNBARXQDCOAH-UHFFFAOYSA-N	0	0	312.326	0.514	10	5		DCBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000127802349	158275799	/nfs/dbraw/zinc/27/57/99/158275799.db2.gz	RDLMWKATPKTSEJ-RISCZKNCSA-N	0	0	308.338	0.945	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(c2cc[nH]n2)CC1	ZINC000172385278	158393925	/nfs/dbraw/zinc/39/39/25/158393925.db2.gz	XQDXHDKXSRNQDH-UHFFFAOYSA-N	0	0	304.310	0.921	10	5		DCBERN
C[C@H]1C(=O)NCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000188068261	158542682	/nfs/dbraw/zinc/54/26/82/158542682.db2.gz	ONKIKSBQKPUGJP-QMMMGPOBSA-N	0	0	322.277	0.854	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1	ZINC000408023796	160014714	/nfs/dbraw/zinc/01/47/14/160014714.db2.gz	VIHXDRJCPRFOEJ-KGLIPLIRSA-N	0	0	320.349	0.843	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1	ZINC000408023797	160014862	/nfs/dbraw/zinc/01/48/62/160014862.db2.gz	VIHXDRJCPRFOEJ-UONOGXRCSA-N	0	0	320.349	0.843	10	5		DCBERN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@](O)(C(F)(F)F)C1	ZINC000408036104	160018366	/nfs/dbraw/zinc/01/83/66/160018366.db2.gz	PJBMBVFEVIMUPJ-VIFPVBQESA-N	0	0	308.216	0.847	10	5		DCBERN
C[C@@H]1CC(=O)N[C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1	ZINC000408040698	160019619	/nfs/dbraw/zinc/01/96/19/160019619.db2.gz	JFSINDHDZQOWKW-ZANVPECISA-N	0	0	318.333	0.789	10	5		DCBERN
CN1C(=O)N[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)CC[C@@H]21	ZINC000408053329	160024569	/nfs/dbraw/zinc/02/45/69/160024569.db2.gz	TZYNSCRQPPJTOL-BDAKNGLRSA-N	0	0	310.335	0.894	10	5		DCBERN
O=C(c1cc([O-])ccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1CNC(=O)C2	ZINC000408070174	160028387	/nfs/dbraw/zinc/02/83/87/160028387.db2.gz	FPDXLFTVQAGWMV-BDAKNGLRSA-N	0	0	305.290	0.794	10	5		DCBERN
Cc1nn(C)c(C(=O)N2CC[C@H](N3CCOCC3)C2)c1[N+](=O)[O-]	ZINC000408129425	160043375	/nfs/dbraw/zinc/04/33/75/160043375.db2.gz	PJDCTHPPUHOKIM-NSHDSACASA-N	0	0	323.353	0.183	10	5		DCBERN
Cc1sc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1[N+](=O)[O-]	ZINC000408143911	160046695	/nfs/dbraw/zinc/04/66/95/160046695.db2.gz	DPFVLDCWULJDQI-QMMMGPOBSA-N	0	0	324.318	0.341	10	5		DCBERN
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1N1CCOCC1	ZINC000408231194	160064571	/nfs/dbraw/zinc/06/45/71/160064571.db2.gz	GJPXTJHUKOZKJA-WCQYABFASA-N	0	0	322.365	0.726	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[S@](=O)[C@@H](C)C2)n1	ZINC000408370447	160093641	/nfs/dbraw/zinc/09/36/41/160093641.db2.gz	LBPDPZUKDHFJFQ-DOJKMWFOSA-N	0	0	314.367	0.793	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cnc(N(C)C)nc1	ZINC000125775019	286967995	/nfs/dbraw/zinc/96/79/95/286967995.db2.gz	WMDODOIZICUGHK-UHFFFAOYSA-N	0	0	319.325	0.985	10	5		DCBERN
O=[N+]([O-])c1ccc2nc(S(=O)(=O)C[C@H]3CCC[NH2+]3)[n-]c2c1	ZINC000095092100	415548887	/nfs/dbraw/zinc/54/88/87/415548887.db2.gz	AUHMTMLIKIUROZ-MRVPVSSYSA-N	0	0	310.335	0.997	10	5		DCBERN
CCCCNC(=O)NC(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000127180676	415884347	/nfs/dbraw/zinc/88/43/47/415884347.db2.gz	UZYORMOPVXEKAR-UHFFFAOYSA-N	0	0	310.310	0.691	10	5		DCBERN
COc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)CO)c([N+](=O)[O-])c1	ZINC000158819007	416003335	/nfs/dbraw/zinc/00/33/35/416003335.db2.gz	DDUIFUVOVXCDMY-DTWKUNHWSA-N	0	0	318.351	0.899	10	5		DCBERN
C[C@H]1CN(c2cc(CO)ccc2[N+](=O)[O-])CCS1(=O)=O	ZINC000160735515	416009840	/nfs/dbraw/zinc/00/98/40/416009840.db2.gz	RMTQVQDVAQABAM-VIFPVBQESA-N	0	0	300.336	0.710	10	5		DCBERN
CS(=O)(=O)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1	ZINC000302850964	416101410	/nfs/dbraw/zinc/10/14/10/416101410.db2.gz	IWIAPNSDESWROK-UHFFFAOYSA-N	0	0	303.315	0.816	10	5		DCBERN
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc([N+](=O)[O-])c1N	ZINC000178169804	416157248	/nfs/dbraw/zinc/15/72/48/416157248.db2.gz	LEPKOAUQBANSFI-IUCAKERBSA-N	0	0	306.322	0.903	10	5		DCBERN
Cn1cc([C@@H]2CNCCN2C(=O)c2ccc([N+](=O)[O-])o2)cn1	ZINC000181345909	416205958	/nfs/dbraw/zinc/20/59/58/416205958.db2.gz	WIZBAHYLUSCGHQ-JTQLQIEISA-N	0	0	305.294	0.708	10	5		DCBERN
CCNC(=O)C1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1	ZINC000178119654	416158028	/nfs/dbraw/zinc/15/80/28/416158028.db2.gz	VZJXSMSGWDVIGD-UHFFFAOYSA-N	0	0	317.305	0.679	10	5		DCBERN
O=C(NC[C@H](O)CN1CCOCC1)c1csc([N+](=O)[O-])c1	ZINC000192455469	416304957	/nfs/dbraw/zinc/30/49/57/416304957.db2.gz	XRQPEFKENDVPSK-JTQLQIEISA-N	0	0	315.351	0.079	10	5		DCBERN
CC(C)O[C@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1(C)C	ZINC000362083561	416558624	/nfs/dbraw/zinc/55/86/24/416558624.db2.gz	QIWDCODUHKZCGQ-UWVGGRQHSA-N	0	0	311.342	0.895	10	5		DCBERN
Cc1nccn1CCCN(C)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000438110949	416592150	/nfs/dbraw/zinc/59/21/50/416592150.db2.gz	WMBIMILRKRWKAC-UHFFFAOYSA-N	0	0	307.314	0.240	10	5		DCBERN
Nc1nc(N2CC(O)(c3ccc(F)cc3)C2)ncc1[N+](=O)[O-]	ZINC000364911315	416595674	/nfs/dbraw/zinc/59/56/74/416595674.db2.gz	YBULTTIOXAHCGZ-UHFFFAOYSA-N	0	0	305.269	0.814	10	5		DCBERN
C[C@H](CC(N)=O)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443767349	416781025	/nfs/dbraw/zinc/78/10/25/416781025.db2.gz	AQBLVXZKNCRVQW-MRVPVSSYSA-N	0	0	301.324	0.278	10	5		DCBERN
NS(=O)(=O)c1ccc(OCc2cnns2)c([N+](=O)[O-])c1	ZINC000436473790	287360754	/nfs/dbraw/zinc/36/07/54/287360754.db2.gz	IBESACDUYYUCCM-UHFFFAOYSA-N	0	0	316.320	0.673	10	5		DCBERN
CC(=O)[C@](C)(O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000575830244	417553925	/nfs/dbraw/zinc/55/39/25/417553925.db2.gz	POJFEWXZTAQBTH-CQSZACIVSA-N	0	0	308.338	0.452	10	5		DCBERN
O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN2CCOC[C@H]2C1	ZINC000363858465	262134885	/nfs/dbraw/zinc/13/48/85/262134885.db2.gz	DRKZXBFBUJPLLN-CYBMUJFWSA-N	0	0	321.333	0.517	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCOC2(CCCCC2)C1	ZINC000359598253	271128912	/nfs/dbraw/zinc/12/89/12/271128912.db2.gz	VULXQVNPTVWPSG-UHFFFAOYSA-N	0	0	309.326	0.748	10	5		DCBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](O)C[C@H]1CO	ZINC000363706007	271200650	/nfs/dbraw/zinc/20/06/50/271200650.db2.gz	ZMZCBADQRMOGPD-FLEJHELKSA-N	0	0	306.318	0.952	10	5		DCBERN
CN(C1(CO)CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000451533048	271901441	/nfs/dbraw/zinc/90/14/41/271901441.db2.gz	LHVKMONKLYIMPZ-UHFFFAOYSA-N	0	0	300.336	0.881	10	5		DCBERN
CCNC(=O)[C@@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000489051001	272056248	/nfs/dbraw/zinc/05/62/48/272056248.db2.gz	SGPIHCZAIGAOHN-SECBINFHSA-N	0	0	315.351	0.539	10	5		DCBERN
CC(C)(C(=O)N1CC[C@]2(CNC(=O)C2)C1)n1cc([N+](=O)[O-])cn1	ZINC000408269633	278268648	/nfs/dbraw/zinc/26/86/48/278268648.db2.gz	DPHATFMBQIFCKW-AWEZNQCLSA-N	0	0	321.337	0.265	10	5		DCBERN
C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC(=O)N1C	ZINC000286397817	278810678	/nfs/dbraw/zinc/81/06/78/278810678.db2.gz	JOUQOMLAEOJZGS-MRVPVSSYSA-N	0	0	317.305	0.911	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@H](C(=O)C2CC2)C1	ZINC000548387476	288138570	/nfs/dbraw/zinc/13/85/70/288138570.db2.gz	HVXPYLSCTDDWLW-NSHDSACASA-N	0	0	322.321	0.306	10	5		DCBERN
CN1CCO[C@@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@H]21	ZINC000152952721	290089480	/nfs/dbraw/zinc/08/94/80/290089480.db2.gz	YOJUVEFHGFHINC-VXGBXAGGSA-N	0	0	323.353	0.068	10	5		DCBERN
CC(=O)N1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1	ZINC000580596562	341883790	/nfs/dbraw/zinc/88/37/90/341883790.db2.gz	XUSOYWPMPXRYQV-SECBINFHSA-N	0	0	324.312	0.914	10	5		DCBERN
COC(=O)Cn1cc(CCn2cc([N+](=O)[O-])cc(C)c2=O)nn1	ZINC000160080636	523395942	/nfs/dbraw/zinc/39/59/42/523395942.db2.gz	DYVILDREBWRCAL-UHFFFAOYSA-N	0	0	321.293	0.072	10	5		DCBERN
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN2CCOC[C@H]2C1	ZINC000368221817	527270577	/nfs/dbraw/zinc/27/05/77/527270577.db2.gz	OBOJWKHZFOFPCF-CQSZACIVSA-N	0	0	305.334	0.680	10	5		DCBERN
CCCCCN(CC(N)=O)C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191887461	528165347	/nfs/dbraw/zinc/16/53/47/528165347.db2.gz	CEFHUPRRYHRZIY-UHFFFAOYSA-N	0	0	311.342	0.929	10	5		DCBERN
CN(CC1CC1)C(=O)COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000726660897	661663182	/nfs/dbraw/zinc/66/31/82/661663182.db2.gz	HMQHGMALLUPTQJ-UHFFFAOYSA-N	0	0	324.337	0.938	10	5		DCBERN
CC(C)NC(=O)CNC(=S)NNc1ccc([N+](=O)[O-])cc1	ZINC000727269497	662148944	/nfs/dbraw/zinc/14/89/44/662148944.db2.gz	WRKJWKNYCQRZJR-UHFFFAOYSA-N	0	0	311.367	0.910	10	5		DCBERN
O=[N+]([O-])c1ccc(F)cc1OC[C@H](O)CN1CCOCC1	ZINC000152923265	664779418	/nfs/dbraw/zinc/77/94/18/664779418.db2.gz	NBUNANGYZLYXDY-LLVKDONJSA-N	0	0	300.286	0.806	10	5		DCBERN
CC[S@](=O)CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C	ZINC000733883225	666824210	/nfs/dbraw/zinc/82/42/10/666824210.db2.gz	XOMCBDYTUVGYRO-NRFANRHFSA-N	0	0	316.383	0.683	10	5		DCBERN
C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)CC1(C)OCCO1	ZINC000740735031	667751045	/nfs/dbraw/zinc/75/10/45/667751045.db2.gz	GVODYDHCFDILJG-SECBINFHSA-N	0	0	313.314	0.092	10	5		DCBERN
O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1	ZINC000130202023	669596556	/nfs/dbraw/zinc/59/65/56/669596556.db2.gz	MNNGOEGKNBXTKB-KGLIPLIRSA-N	0	0	317.301	0.814	10	5		DCBERN
COc1cc(NCCS(N)(=O)=O)c([N+](=O)[O-])cc1OC	ZINC000214145252	1158350254	/nfs/dbraw/zinc/35/02/54/1158350254.db2.gz	MMCHPCDAMFVTTC-UHFFFAOYSA-N	0	0	305.312	0.312	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ncc[nH]2)c(F)c1	ZINC000080624329	1174484921	/nfs/dbraw/zinc/48/49/21/1174484921.db2.gz	ZLIDBQJFMANJSC-UHFFFAOYSA-N	0	0	300.271	0.936	10	5		DCBERN
O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1C[C@H](O)[C@H](CO)C1	ZINC000317661650	1190423043	/nfs/dbraw/zinc/42/30/43/1190423043.db2.gz	NAXUEJJBXDOFRX-CPCISQLKSA-N	0	0	300.698	0.673	10	5		DCBERN
O=C(NC1(C(=O)NCC2CC2)CCCC1)c1[nH]ncc1[N+](=O)[O-]	ZINC000119056228	768448228	/nfs/dbraw/zinc/44/82/28/768448228.db2.gz	LUMVTUZKTMGCNZ-UHFFFAOYSA-N	0	0	321.337	0.887	10	5		DCBERN
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](O)[C@H](CO)C1	ZINC000317660263	775112002	/nfs/dbraw/zinc/11/20/02/775112002.db2.gz	MWASYBBHQQHDEI-CPCISQLKSA-N	0	0	300.698	0.673	10	5		DCBERN
C[NH+](C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000182024411	199375835	/nfs/dbraw/zinc/37/58/35/199375835.db2.gz	JGVQSUJMKFKFIH-LLVKDONJSA-N	0	0	309.322	0.703	10	5		DCBERN
CCCn1ccc2nc3c(cc2c1=O)c(=O)n(C)c(=O)n3C	ZINC000072441316	191167391	/nfs/dbraw/zinc/16/73/91/191167391.db2.gz	DAHNHNKNHUYETG-UHFFFAOYSA-N	0	0	300.318	0.357	10	5		DCBERN
C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1CCO	ZINC000188697884	200290206	/nfs/dbraw/zinc/29/02/06/200290206.db2.gz	NQUQRTBPZNERDE-LBPRGKRZSA-N	0	0	307.350	0.662	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C)C(=O)C1(C)C	ZINC000154885199	291216674	/nfs/dbraw/zinc/21/66/74/291216674.db2.gz	ILVMSDJNPLFWCS-UHFFFAOYSA-N	0	0	306.322	0.991	10	5		DCBERN
COCCO[C@@H]1C[C@@H](CO)CN(c2ccc([N+](=O)[O-])nc2)C1	ZINC000447672692	240594090	/nfs/dbraw/zinc/59/40/90/240594090.db2.gz	QZIUWHZKXULVPP-DGCLKSJQSA-N	0	0	311.338	0.840	10	5		DCBERN
CN(CC1CC(O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000091499314	193065134	/nfs/dbraw/zinc/06/51/34/193065134.db2.gz	XELRVRGWSVNZGQ-UHFFFAOYSA-N	0	0	300.336	0.986	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](O)C1	ZINC000061706899	184184509	/nfs/dbraw/zinc/18/45/09/184184509.db2.gz	HEXSNYHBVYDXMD-VIFPVBQESA-N	0	0	302.308	0.359	10	5		DCBERN
CCN(CCO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000037897387	395729791	/nfs/dbraw/zinc/72/97/91/395729791.db2.gz	UFRVYIZYTZWZDE-UHFFFAOYSA-N	0	0	304.324	0.606	10	5		DCBERN
CS(=O)(=O)c1ccc(N2CCO[C@H](CO)C2)c([N+](=O)[O-])c1	ZINC000094267275	395739924	/nfs/dbraw/zinc/73/99/24/395739924.db2.gz	OZYSQDHSCIVBRU-VIFPVBQESA-N	0	0	316.335	0.196	10	5		DCBERN
CN1CCO[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000194733999	395805959	/nfs/dbraw/zinc/80/59/59/395805959.db2.gz	IWCZHWJKNWXGFL-LLVKDONJSA-N	0	0	315.351	0.204	10	5		DCBERN
C[C@H]1C(=O)NCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000248888754	395999061	/nfs/dbraw/zinc/99/90/61/395999061.db2.gz	ANNOYOFYBLLIPE-WCQYABFASA-N	0	0	323.349	0.545	10	5		DCBERN
CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N@@+]2([O-])CCC[C@@H]12)[C@@H](C)O	ZINC000253393678	396026156	/nfs/dbraw/zinc/02/61/56/396026156.db2.gz	ZRIYCGOWLRWLAO-FDICVXPISA-N	0	0	302.391	0.686	10	5		DCBERN
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@+]2([O-])CCC[C@@H]12)[C@H](C)O	ZINC000253623452	396031215	/nfs/dbraw/zinc/03/12/15/396031215.db2.gz	ZRIYCGOWLRWLAO-UNPMEBSKSA-N	0	0	302.391	0.686	10	5		DCBERN
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCCOC1	ZINC000171567716	396118855	/nfs/dbraw/zinc/11/88/55/396118855.db2.gz	LWTGYVSGIAMYFL-NSHDSACASA-N	0	0	307.306	0.620	10	5		DCBERN
C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN1CCO	ZINC000188801034	396386221	/nfs/dbraw/zinc/38/62/21/396386221.db2.gz	QRIZRSLYNLKZOU-GFCCVEGCSA-N	0	0	307.350	0.662	10	5		DCBERN
CCN1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1=O	ZINC000190654618	396409794	/nfs/dbraw/zinc/40/97/94/396409794.db2.gz	IXKGQJCVRRZJBN-UHFFFAOYSA-N	0	0	313.335	0.546	10	5		DCBERN
C[C@H]1C(=O)NCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000190992352	396413650	/nfs/dbraw/zinc/41/36/50/396413650.db2.gz	ZIJDIPCNKZZHOO-VIFPVBQESA-N	0	0	313.335	0.494	10	5		DCBERN
C[C@H]1C(=O)NCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000190991373	396413926	/nfs/dbraw/zinc/41/39/26/396413926.db2.gz	AVBLMKAJMZMMPQ-ZETCQYMHSA-N	0	0	319.364	0.555	10	5		DCBERN
CCN1CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O	ZINC000191544941	396421485	/nfs/dbraw/zinc/42/14/85/396421485.db2.gz	YWLRNXZCEBGIBN-UHFFFAOYSA-N	0	0	306.322	0.963	10	5		DCBERN
O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC(n2ccnn2)C1	ZINC000374838632	396691301	/nfs/dbraw/zinc/69/13/01/396691301.db2.gz	BKPBLQYWUKNFOP-UHFFFAOYSA-N	0	0	317.261	0.612	10	5		DCBERN
C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CCN1S(C)(=O)=O	ZINC000596479344	396783790	/nfs/dbraw/zinc/78/37/90/396783790.db2.gz	REUFIPMMAGAKKN-SSDOTTSWSA-N	0	0	306.369	0.521	10	5		DCBERN
Cn1cnc([N+](=O)[O-])c1NCCC1(CS(C)(=O)=O)CC1	ZINC000596316879	396762070	/nfs/dbraw/zinc/76/20/70/396762070.db2.gz	NXYDLYRCWUCXGO-UHFFFAOYSA-N	0	0	302.356	0.955	10	5		DCBERN
CN(C)C(=O)C1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1	ZINC000611152857	396824275	/nfs/dbraw/zinc/82/42/75/396824275.db2.gz	CBGKOACFCPZRHR-UHFFFAOYSA-N	0	0	318.337	0.942	10	5		DCBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](S(N)(=O)=O)C2)n1	ZINC000611615987	396895901	/nfs/dbraw/zinc/89/59/01/396895901.db2.gz	RSGABSQGWIAKCN-JTQLQIEISA-N	0	0	314.367	0.864	10	5		DCBERN
CCN1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O	ZINC000619797866	397193547	/nfs/dbraw/zinc/19/35/47/397193547.db2.gz	VRPFRAJHQIPOPP-SECBINFHSA-N	0	0	313.335	0.494	10	5		DCBERN
CCN1CC[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1=O	ZINC000619801604	397195156	/nfs/dbraw/zinc/19/51/56/397195156.db2.gz	HWHUIEIMEJRKHD-LLVKDONJSA-N	0	0	320.349	0.768	10	5		DCBERN
CC(=O)c1cc(N2CCO[C@H](CC(N)=O)C2)ccc1[N+](=O)[O-]	ZINC000599188941	397357899	/nfs/dbraw/zinc/35/78/99/397357899.db2.gz	XYAPBPUPSYSCGX-LLVKDONJSA-N	0	0	307.306	0.878	10	5		DCBERN
O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C2CC2)C(=O)C1	ZINC000610497478	397827222	/nfs/dbraw/zinc/82/72/22/397827222.db2.gz	HLQQGWRBCWETGR-UHFFFAOYSA-N	0	0	303.318	0.971	10	5		DCBERN
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCNC(=O)CC1	ZINC000054257351	158020660	/nfs/dbraw/zinc/02/06/60/158020660.db2.gz	GKJHFNLMMVJQOK-SNVBAGLBSA-N	0	0	306.322	0.744	10	5		DCBERN
Cc1c(C(=O)N[C@@H]2C[C@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000087899782	158092879	/nfs/dbraw/zinc/09/28/79/158092879.db2.gz	SHRIQUBJSNZKON-LHLIQPBNSA-N	0	0	313.335	0.689	10	5		DCBERN
CN(C)CCN(C)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1	ZINC000125736510	158258916	/nfs/dbraw/zinc/25/89/16/158258916.db2.gz	SYNLTHOBTCYUOM-UHFFFAOYSA-N	0	0	301.368	0.996	10	5		DCBERN
CN1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCC1=O	ZINC000131045608	158299206	/nfs/dbraw/zinc/29/92/06/158299206.db2.gz	OZNMMHYGMIXUAF-SNVBAGLBSA-N	0	0	306.322	0.744	10	5		DCBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1Cc2ccccc2[C@H]1O	ZINC000178696966	158462578	/nfs/dbraw/zinc/46/25/78/158462578.db2.gz	KVXQEULRQLWSBG-SMDDNHRTSA-N	0	0	302.290	0.566	10	5		DCBERN
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C)C(=O)C1	ZINC000188164078	158543026	/nfs/dbraw/zinc/54/30/26/158543026.db2.gz	KFRWACYRZRBGAF-UHFFFAOYSA-N	0	0	320.349	0.965	10	5		DCBERN
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN2CCCC[C@@H]2C1	ZINC000408027321	160016082	/nfs/dbraw/zinc/01/60/82/160016082.db2.gz	MWDPWCRVPDYJCH-GFCCVEGCSA-N	0	0	320.349	0.453	10	5		DCBERN
CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@]2(CCOC2)O1	ZINC000408081966	160031728	/nfs/dbraw/zinc/03/17/28/160031728.db2.gz	UZHZBTSJHXTJDP-NOZJJQNGSA-N	0	0	310.310	0.728	10	5		DCBERN
O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000246849992	287088421	/nfs/dbraw/zinc/08/84/21/287088421.db2.gz	ZTWOSZPZXFQFRL-IJLUTSLNSA-N	0	0	320.305	0.103	10	5		DCBERN
CC[C@H](NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C(=O)OC	ZINC000084277657	415495009	/nfs/dbraw/zinc/49/50/09/415495009.db2.gz	HZGNSZYLVJGOJK-JTQLQIEISA-N	0	0	312.326	0.866	10	5		DCBERN
CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCNC(=O)CC1	ZINC000276302645	415466926	/nfs/dbraw/zinc/46/69/26/415466926.db2.gz	NIHNBOGORNIVBB-UHFFFAOYSA-N	0	0	313.335	0.325	10	5		DCBERN
CN1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1=O	ZINC000152668358	415968424	/nfs/dbraw/zinc/96/84/24/415968424.db2.gz	VRUTXTBZLYJXIS-UHFFFAOYSA-N	0	0	302.290	0.990	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1	ZINC000172444752	416045359	/nfs/dbraw/zinc/04/53/59/416045359.db2.gz	IXFPXZBFWIDHEE-GHMZBOCLSA-N	0	0	323.353	0.650	10	5		DCBERN
Cn1cc(NC(=O)c2ccc([N+](=O)[O-])s2)c(=O)n(C)c1=O	ZINC000173086477	416052478	/nfs/dbraw/zinc/05/24/78/416052478.db2.gz	IJQYLBHYKWNAIY-UHFFFAOYSA-N	0	0	310.291	0.306	10	5		DCBERN
COc1ccc(S(=O)(=O)NC[C@H](O)C(C)C)c([N+](=O)[O-])c1	ZINC000158858528	416003856	/nfs/dbraw/zinc/00/38/56/416003856.db2.gz	KOURCAVMOPSQNO-NSHDSACASA-N	0	0	318.351	0.899	10	5		DCBERN
CS(=O)(=O)N1CC[C@@H](CNc2ccncc2[N+](=O)[O-])C1	ZINC000338051695	416039256	/nfs/dbraw/zinc/03/92/56/416039256.db2.gz	ANJDCVKSVJNXFN-VIFPVBQESA-N	0	0	300.340	0.105	10	5		DCBERN
C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@H]1O	ZINC000301953676	416097794	/nfs/dbraw/zinc/09/77/94/416097794.db2.gz	IFQFIQZZNQBXCQ-LDYMZIIASA-N	0	0	315.351	0.449	10	5		DCBERN
Cc1nnc([C@H]2CN(CCn3ccc([N+](=O)[O-])n3)CCO2)[nH]1	ZINC000176270440	416124297	/nfs/dbraw/zinc/12/42/97/416124297.db2.gz	CCNTUPFJJKOQRL-SNVBAGLBSA-N	0	0	307.314	0.291	10	5		DCBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCCn2ncnc21	ZINC000176744257	416133293	/nfs/dbraw/zinc/13/32/93/416133293.db2.gz	CEUSXUJHIRGGKD-SECBINFHSA-N	0	0	323.334	1.000	10	5		DCBERN
CNC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)CCO1	ZINC000183557547	416245684	/nfs/dbraw/zinc/24/56/84/416245684.db2.gz	FDXBZXQBPKWGJU-GFCCVEGCSA-N	0	0	307.306	0.490	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@](CC)(C(N)=O)C(C)C)n1	ZINC000191704297	416288138	/nfs/dbraw/zinc/28/81/38/416288138.db2.gz	DFABHVPCXRXRDL-ZDUSSCGKSA-N	0	0	311.342	0.831	10	5		DCBERN
O=C(CN1C(=O)[C@@H]2C[C@@H]2C1=O)N1CCc2ccc([N+](=O)[O-])cc21	ZINC000536277136	416539269	/nfs/dbraw/zinc/53/92/69/416539269.db2.gz	UYWCATZRFUUMLC-PHIMTYICSA-N	0	0	315.285	0.489	10	5		DCBERN
CC(=O)N1CC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1	ZINC000556930207	416720678	/nfs/dbraw/zinc/72/06/78/416720678.db2.gz	NVVUJZQTLXAYNA-GFCCVEGCSA-N	0	0	321.333	0.958	10	5		DCBERN
CN(CCCO)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000442992172	416725127	/nfs/dbraw/zinc/72/51/27/416725127.db2.gz	OXSSNQQHPRMQAS-UHFFFAOYSA-N	0	0	310.306	0.749	10	5		DCBERN
Cn1cnnc1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443698907	416773297	/nfs/dbraw/zinc/77/32/97/416773297.db2.gz	OYCYUJUFENXYCX-UHFFFAOYSA-N	0	0	311.323	0.343	10	5		DCBERN
O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2cccnc2)cn1	ZINC000448108939	417061532	/nfs/dbraw/zinc/06/15/32/417061532.db2.gz	SCFGLKJBXPIOTE-UHFFFAOYSA-N	0	0	323.334	0.775	10	5		DCBERN
C[C@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)[C@H](O)[C@H](O)[C@H]1O	ZINC000616589247	417080605	/nfs/dbraw/zinc/08/06/05/417080605.db2.gz	QURSGHQPKUXLAD-BKPRMLKUSA-N	0	0	319.697	0.455	10	5		DCBERN
CC[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)NC	ZINC000452093525	417448438	/nfs/dbraw/zinc/44/84/38/417448438.db2.gz	VECBUZLLAZZEHH-LLVKDONJSA-N	0	0	315.351	0.539	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C3CC3)C(=O)C2)n1	ZINC000577074396	417661693	/nfs/dbraw/zinc/66/16/93/417661693.db2.gz	AEZLXUTVOQLEKL-UHFFFAOYSA-N	0	0	307.310	0.258	10	5		DCBERN
Nc1nc(NC[C@@H](CO)Cc2ccccn2)ncc1[N+](=O)[O-]	ZINC000301572989	229752559	/nfs/dbraw/zinc/75/25/59/229752559.db2.gz	RREJRDQQZZTPNK-VIFPVBQESA-N	0	0	304.310	0.625	10	5		DCBERN
CC1(C)CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)O1	ZINC000187344485	261124166	/nfs/dbraw/zinc/12/41/66/261124166.db2.gz	QTJNIFDYQFDZOR-NSHDSACASA-N	0	0	309.322	0.830	10	5		DCBERN
CO[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1C	ZINC000188052740	261126017	/nfs/dbraw/zinc/12/60/17/261126017.db2.gz	DRMLUIWYAXFQLT-CMPLNLGQSA-N	0	0	309.322	0.640	10	5		DCBERN
Cc1c(CNC(=O)C(=O)N(C)CCCO)cccc1[N+](=O)[O-]	ZINC000360284466	261819634	/nfs/dbraw/zinc/81/96/34/261819634.db2.gz	GGBCNHVMBRYILM-UHFFFAOYSA-N	0	0	309.322	0.360	10	5		DCBERN
COCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CC[C@@H](C)C1	ZINC000361247733	261908570	/nfs/dbraw/zinc/90/85/70/261908570.db2.gz	ZAHOLOBDFHTMCG-MNOVXSKESA-N	0	0	311.342	0.850	10	5		DCBERN
CC(C)c1n[nH]c(C(=O)N(C)Cc2nnnn2C)c1[N+](=O)[O-]	ZINC000434259956	271518229	/nfs/dbraw/zinc/51/82/29/271518229.db2.gz	JQTCOENCIABNEO-UHFFFAOYSA-N	0	0	308.302	0.237	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(N3CCN4CCOC[C@@H]4C3)nn21	ZINC000369408153	275041572	/nfs/dbraw/zinc/04/15/72/275041572.db2.gz	KFIMIGMKZAFISS-JTQLQIEISA-N	0	0	304.310	0.158	10	5		DCBERN
Cc1nn(C)c(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)c1[N+](=O)[O-]	ZINC000547735492	288073916	/nfs/dbraw/zinc/07/39/16/288073916.db2.gz	KMROPXYLFLWCAW-SNVBAGLBSA-N	0	0	322.321	0.457	10	5		DCBERN
CC(=O)NC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1	ZINC000188549081	519649536	/nfs/dbraw/zinc/64/95/36/519649536.db2.gz	WNGRDWLKPADULX-UHFFFAOYSA-N	0	0	313.335	0.412	10	5		DCBERN
O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1[nH]ncc1[N+](=O)[O-]	ZINC000160470443	526895283	/nfs/dbraw/zinc/89/52/83/526895283.db2.gz	NYWPJCQFMWBLMS-SECBINFHSA-N	0	0	317.309	0.507	10	5		DCBERN
O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCNC(=O)CC1	ZINC000128926813	527202342	/nfs/dbraw/zinc/20/23/42/527202342.db2.gz	NERVVOAIKSMLIE-UHFFFAOYSA-N	0	0	316.317	0.967	10	5		DCBERN
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2CCOC[C@@H]2C1	ZINC000364963581	527503442	/nfs/dbraw/zinc/50/34/42/527503442.db2.gz	UEDVHCJWHHKKNP-NSHDSACASA-N	0	0	306.322	0.334	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](O)[C@H](CO)C1	ZINC000317617539	661099016	/nfs/dbraw/zinc/09/90/16/661099016.db2.gz	GZYCXNBOQQTKHS-WRWORJQWSA-N	0	0	300.698	0.673	10	5		DCBERN
NCc1nc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)no1	ZINC000262149855	662116782	/nfs/dbraw/zinc/11/67/82/662116782.db2.gz	FVLCHWOTPOJYEP-VIFPVBQESA-N	0	0	319.325	0.518	10	5		DCBERN
CC[S@](=O)CCNC(=O)COc1cccc([N+](=O)[O-])c1	ZINC000733878943	666823454	/nfs/dbraw/zinc/82/34/54/666823454.db2.gz	JVHVCKLPTFSBQK-FQEVSTJZSA-N	0	0	300.336	0.858	10	5		DCBERN
CC[S@@](=O)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000733899620	666824518	/nfs/dbraw/zinc/82/45/18/666824518.db2.gz	KZGWTTSQCFLAPX-GOSISDBHSA-N	0	0	306.365	0.642	10	5		DCBERN
C[C@H](C(N)=O)N(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000711090957	667448901	/nfs/dbraw/zinc/44/89/01/667448901.db2.gz	ZLGIQHOSQZLISA-ZCFIWIBFSA-N	0	0	305.287	0.228	10	5		DCBERN
COC(=O)/C(C)=C\Cn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O	ZINC000742207189	667783913	/nfs/dbraw/zinc/78/39/13/667783913.db2.gz	WVKPPXMXYFZBRT-YWEYNIOJSA-N	0	0	310.262	0.662	10	5		DCBERN
O=C(N[C@H]1CCC[C@@H]1O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000132422723	1177524943	/nfs/dbraw/zinc/52/49/43/1177524943.db2.gz	QLDMYESDRZKCAN-AAEUAGOBSA-N	0	0	317.305	0.819	10	5		DCBERN
Cc1noc([C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C(C)C)n1	ZINC000171815249	1183777991	/nfs/dbraw/zinc/77/79/91/1183777991.db2.gz	AQIGUQMLNMGCFX-LLVKDONJSA-N	0	0	308.298	0.996	10	5		DCBERN
CCOCCN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1C	ZINC000160880952	291240082	/nfs/dbraw/zinc/24/00/82/291240082.db2.gz	YDMSAWWVCMVCPJ-JTQLQIEISA-N	0	0	311.342	0.501	10	5		DCBERN
CC(C)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O	ZINC000092998982	193191987	/nfs/dbraw/zinc/19/19/87/193191987.db2.gz	JQTXSYOMPUYZLJ-UHFFFAOYSA-N	0	0	312.303	0.964	10	5		DCBERN
NS(=O)(=O)c1cc(NC[C@H]2CCC[C@H]2O)cc([N+](=O)[O-])c1	ZINC000266185407	205167144	/nfs/dbraw/zinc/16/71/44/205167144.db2.gz	AMMPIPMGMALAAI-PRHODGIISA-N	0	0	315.351	0.815	10	5		DCBERN
Cc1cc(C(=O)N[C@H]2CCc3ncnn3C2)c(N)c([N+](=O)[O-])c1	ZINC000112725283	194512930	/nfs/dbraw/zinc/51/29/30/194512930.db2.gz	GYZSYWFPHJUGEG-VIFPVBQESA-N	0	0	316.321	0.822	10	5		DCBERN
COCCN1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1=O	ZINC000302018614	285052664	/nfs/dbraw/zinc/05/26/64/285052664.db2.gz	DFEGOQLDSBNTME-UHFFFAOYSA-N	0	0	309.322	0.382	10	5		DCBERN
CC(C)C(=O)N1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1	ZINC000015129315	395689766	/nfs/dbraw/zinc/68/97/66/395689766.db2.gz	ACEQWFICQAPWDZ-UHFFFAOYSA-N	0	0	320.349	0.998	10	5		DCBERN
Cn1cnc([N+](=O)[O-])c1NCc1ccc(S(N)(=O)=O)cc1	ZINC000035121762	395719013	/nfs/dbraw/zinc/71/90/13/395719013.db2.gz	MBKZQCWUZLDPRE-UHFFFAOYSA-N	0	0	311.323	0.588	10	5		DCBERN
COC(=O)[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000108275637	395787137	/nfs/dbraw/zinc/78/71/37/395787137.db2.gz	ZGBQAIVWJBOAPX-VIFPVBQESA-N	0	0	314.319	0.778	10	5		DCBERN
C[C@@](O)(CO)CNc1c(Br)cncc1[N+](=O)[O-]	ZINC000235372974	395892607	/nfs/dbraw/zinc/89/26/07/395892607.db2.gz	SPTDFQSBBPSWAF-VIFPVBQESA-N	0	0	306.116	0.908	10	5		DCBERN
NC(=O)NC(=O)COc1ccc([N+](=O)[O-])cc1Br	ZINC000077939369	396237386	/nfs/dbraw/zinc/23/73/86/396237386.db2.gz	FUGYSZZLMNGDKM-UHFFFAOYSA-N	0	0	318.083	0.931	10	5		DCBERN
Cc1c(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@@H]2CO)cccc1[N+](=O)[O-]	ZINC000179176240	396222757	/nfs/dbraw/zinc/22/27/57/396222757.db2.gz	CXIZTZPXYIWEPS-NEPJUHHUSA-N	0	0	323.349	0.659	10	5		DCBERN
NC(=O)[C@]1(O)CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1	ZINC000284519828	396345597	/nfs/dbraw/zinc/34/55/97/396345597.db2.gz	FLSJWKOFGOIGRN-NSHDSACASA-N	0	0	300.702	0.460	10	5		DCBERN
Cc1cc(N2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)n[nH]1	ZINC000189718597	396397878	/nfs/dbraw/zinc/39/78/78/396397878.db2.gz	SDCGTUVPMAKYOM-UHFFFAOYSA-N	0	0	319.325	0.172	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1c(Cl)cncc1[N+](=O)[O-]	ZINC000596437697	396777210	/nfs/dbraw/zinc/77/72/10/396777210.db2.gz	XXHKHCAGAWVPMF-VXNVDRBHSA-N	0	0	321.742	0.289	10	5		DCBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C(=O)[C@@H](C)O)CC2)n1	ZINC000611617467	396895773	/nfs/dbraw/zinc/89/57/73/396895773.db2.gz	YLAWXJRPVBZLKT-LLVKDONJSA-N	0	0	308.338	0.636	10	5		DCBERN
O=C(N[C@H]1[C@@H]2COC[C@@H]21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000619435525	397127999	/nfs/dbraw/zinc/12/79/99/397127999.db2.gz	ZNWWAHKYCVYLOI-PJXYFTJBSA-N	0	0	321.337	0.783	10	5		DCBERN
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2cc[nH]n2)c1	ZINC000377809068	397145249	/nfs/dbraw/zinc/14/52/49/397145249.db2.gz	KZKQAKAHUGMRJR-AAEUAGOBSA-N	0	0	306.326	0.712	10	5		DCBERN
CCN1CC[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1=O	ZINC000619802256	397194997	/nfs/dbraw/zinc/19/49/97/397194997.db2.gz	WQUBYXFYRUATCZ-SECBINFHSA-N	0	0	321.289	0.674	10	5		DCBERN
NS(=O)(=O)C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1	ZINC000368563137	397423089	/nfs/dbraw/zinc/42/30/89/397423089.db2.gz	SRCQAKJBDWXJCH-UHFFFAOYSA-N	0	0	320.758	0.901	10	5		DCBERN
O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN(C2CC2)C(=O)C1	ZINC000610497521	397826928	/nfs/dbraw/zinc/82/69/28/397826928.db2.gz	PVQPGLBZVWRIKX-UHFFFAOYSA-N	0	0	307.310	0.015	10	5		DCBERN
COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)OC	ZINC000065008436	158033346	/nfs/dbraw/zinc/03/33/46/158033346.db2.gz	UIJQIGSBSJAQQZ-LLVKDONJSA-N	0	0	324.289	0.738	10	5		DCBERN
O=C(CCNc1ccccc1[N+](=O)[O-])N1CCNC(=O)CC1	ZINC000065902692	158034846	/nfs/dbraw/zinc/03/48/46/158034846.db2.gz	CMCGNYMLDAEXAG-UHFFFAOYSA-N	0	0	306.322	0.745	10	5		DCBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1Cc2ccccc2[C@H]1O	ZINC000178696975	158462483	/nfs/dbraw/zinc/46/24/83/158462483.db2.gz	KVXQEULRQLWSBG-BXUZGUMPSA-N	0	0	302.290	0.566	10	5		DCBERN
Cn1nccc1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000180312727	158477870	/nfs/dbraw/zinc/47/78/70/158477870.db2.gz	NEWFIZNPSBRLNX-UHFFFAOYSA-N	0	0	304.262	0.987	10	5		DCBERN
COC(=O)[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1	ZINC000136768578	287027204	/nfs/dbraw/zinc/02/72/04/287027204.db2.gz	JVKJFJXUJJGKKC-JTQLQIEISA-N	0	0	304.262	0.962	10	5		DCBERN
Cc1[nH]nc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1[N+](=O)[O-]	ZINC000266161062	287129746	/nfs/dbraw/zinc/12/97/46/287129746.db2.gz	ITKBYEMCKITHPR-ONGXEEELSA-N	0	0	323.353	0.419	10	5		DCBERN
CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@]2(CCOC2)O1	ZINC000408326014	287171885	/nfs/dbraw/zinc/17/18/85/287171885.db2.gz	HUWGCFFVVGJXND-QMTHXVAHSA-N	0	0	324.337	0.738	10	5		DCBERN
O=[N+]([O-])c1ccc2nc(S(=O)(=O)[C@@H]3CCC[NH2+]C3)[n-]c2c1	ZINC000095092094	415549683	/nfs/dbraw/zinc/54/96/83/415549683.db2.gz	JVUVGBICYZUMPK-SECBINFHSA-N	0	0	310.335	0.997	10	5		DCBERN
COc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)CO)c([N+](=O)[O-])c1	ZINC000158819131	416003691	/nfs/dbraw/zinc/00/36/91/416003691.db2.gz	DDUIFUVOVXCDMY-RKDXNWHRSA-N	0	0	318.351	0.899	10	5		DCBERN
COc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)CO)cc1[N+](=O)[O-]	ZINC000158785243	416003900	/nfs/dbraw/zinc/00/39/00/416003900.db2.gz	SBXRQLGFNHWQAF-BDAKNGLRSA-N	0	0	318.351	0.899	10	5		DCBERN
CN(Cc1nc[nH]n1)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1	ZINC000301765101	416092319	/nfs/dbraw/zinc/09/23/19/416092319.db2.gz	BCMWTSMPWPKUMU-UHFFFAOYSA-N	0	0	311.323	0.753	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CN2CCN1CC2	ZINC000178638024	416167534	/nfs/dbraw/zinc/16/75/34/416167534.db2.gz	RWBUSPKXECSAED-ZDUSSCGKSA-N	0	0	304.350	0.633	10	5		DCBERN
C[C@@H](CO)N(C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	ZINC000183313119	416240893	/nfs/dbraw/zinc/24/08/93/416240893.db2.gz	QOIAPYFKQDDAFA-TVQRCGJNSA-N	0	0	307.306	0.927	10	5		DCBERN
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCC(N)=O)c1	ZINC000183502327	416241439	/nfs/dbraw/zinc/24/14/39/416241439.db2.gz	TXCRCUUHQWORHI-UHFFFAOYSA-N	0	0	321.742	0.710	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(N[C@H](CCO)C3CCOCC3)nn21	ZINC000359220397	416315190	/nfs/dbraw/zinc/31/51/90/416315190.db2.gz	GJZRTIMQYLKYAU-LLVKDONJSA-N	0	0	321.337	1.227	10	5		DCBERN
CCCN(CC(=O)N(C)C)C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191563996	416286009	/nfs/dbraw/zinc/28/60/09/416286009.db2.gz	BQXASXJNAMLPIY-UHFFFAOYSA-N	0	0	311.342	0.752	10	5		DCBERN
CCn1cc([C@@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)cn1	ZINC000191805226	416290132	/nfs/dbraw/zinc/29/01/32/416290132.db2.gz	VGCNPWLTTBXHFF-NSHDSACASA-N	0	0	320.309	0.748	10	5		DCBERN
CC(C)O[C@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1(C)C	ZINC000362083563	416560647	/nfs/dbraw/zinc/56/06/47/416560647.db2.gz	QIWDCODUHKZCGQ-ZJUUUORDSA-N	0	0	311.342	0.895	10	5		DCBERN
C[S@@](=O)c1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1	ZINC000361876142	416515050	/nfs/dbraw/zinc/51/50/50/416515050.db2.gz	UKYBSUYTZKMOGQ-OAQYLSRUSA-N	0	0	309.307	0.562	10	5		DCBERN
O=C1CC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CN1	ZINC000443781144	416781218	/nfs/dbraw/zinc/78/12/18/416781218.db2.gz	UUDFNSLJABLMFJ-JTQLQIEISA-N	0	0	313.335	0.293	10	5		DCBERN
CO[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCO1	ZINC000615297231	416808708	/nfs/dbraw/zinc/80/87/08/416808708.db2.gz	XUEUXPKTKXTDNS-GFCCVEGCSA-N	0	0	316.335	0.729	10	5		DCBERN
CO[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)Cc1ccccc1	ZINC000452804127	417505534	/nfs/dbraw/zinc/50/55/34/417505534.db2.gz	BQRAXULQEJEADR-LBPRGKRZSA-N	0	0	319.321	0.560	10	5		DCBERN
COC[C@](C)(NC(=O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F	ZINC000362206064	262009937	/nfs/dbraw/zinc/00/99/37/262009937.db2.gz	YYYMFSGXUKWFHH-VIFPVBQESA-N	0	0	310.232	0.875	10	5		DCBERN
CC(C)(O)C(C)(C)NS(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000540739361	287905453	/nfs/dbraw/zinc/90/54/53/287905453.db2.gz	SMSVOQGVSRAPFF-UHFFFAOYSA-N	0	0	303.340	0.818	10	5		DCBERN
C[C@@H]1OCC[C@@]12CN(C(=O)c1nn(C)cc1[N+](=O)[O-])CCO2	ZINC000548749053	288173265	/nfs/dbraw/zinc/17/32/65/288173265.db2.gz	NDZBJDLULRPOFB-TVQRCGJNSA-N	0	0	310.310	0.348	10	5		DCBERN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@@H](C)O1	ZINC000015173708	288263081	/nfs/dbraw/zinc/26/30/81/288263081.db2.gz	OVUFBCRNPQJHME-RKDXNWHRSA-N	0	0	315.351	0.856	10	5		DCBERN
CCc1ccc(C(=O)N2CCOC[C@H]2C(N)=O)cc1[N+](=O)[O-]	ZINC000091778644	288532216	/nfs/dbraw/zinc/53/22/16/288532216.db2.gz	UWFZOEWOKDREJY-LBPRGKRZSA-N	0	0	307.306	0.484	10	5		DCBERN
CN1CCO[C@@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]21	ZINC000286250260	290084151	/nfs/dbraw/zinc/08/41/51/290084151.db2.gz	DZQGWZNMNNLVPF-QWHCGFSZSA-N	0	0	320.349	0.722	10	5		DCBERN
CC(=O)NC1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000191729292	519649270	/nfs/dbraw/zinc/64/92/70/519649270.db2.gz	VTSUQWAXLIYTRY-ZDUSSCGKSA-N	0	0	309.322	0.155	10	5		DCBERN
CC(=O)NC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1	ZINC000188548184	519649455	/nfs/dbraw/zinc/64/94/55/519649455.db2.gz	LAYGRRIGVITUKV-UHFFFAOYSA-N	0	0	313.335	0.412	10	5		DCBERN
COCCCCS(=O)(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000185281086	523185924	/nfs/dbraw/zinc/18/59/24/523185924.db2.gz	NSVMOWJZNXTZEK-UHFFFAOYSA-N	0	0	306.344	0.137	10	5		DCBERN
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)C(N)=O)c1	ZINC000161567209	525556451	/nfs/dbraw/zinc/55/64/51/525556451.db2.gz	CLLYTIPGGQFWJJ-LURJTMIESA-N	0	0	321.742	0.709	10	5		DCBERN
O=C1NCCC[C@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000051156567	658832091	/nfs/dbraw/zinc/83/20/91/658832091.db2.gz	ALUFAPUGGMENCW-MRVPVSSYSA-N	0	0	317.298	0.291	10	5		DCBERN
NC(=O)[C@@]1(O)CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000312759685	659478110	/nfs/dbraw/zinc/47/81/10/659478110.db2.gz	KLHZVJBFMDIOAH-LLVKDONJSA-N	0	0	303.677	0.814	10	5		DCBERN
CCN(CC(=O)OC)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000728709459	662413092	/nfs/dbraw/zinc/41/30/92/662413092.db2.gz	UYOQKCCQTDFWFN-UHFFFAOYSA-N	0	0	321.289	0.643	10	5		DCBERN
COc1ccc(CN[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	ZINC000021517437	662481998	/nfs/dbraw/zinc/48/19/98/662481998.db2.gz	NJJSNLRWTLKBLF-JTQLQIEISA-N	0	0	300.336	0.880	10	5		DCBERN
Cc1nn(CN2CC[C@@H](N3CCOCC3)C2)c(C)c1[N+](=O)[O-]	ZINC000172961673	664626026	/nfs/dbraw/zinc/62/60/26/664626026.db2.gz	XOLUEUNGJSVPDZ-CYBMUJFWSA-N	0	0	309.370	0.772	10	5		DCBERN
Cc1nn(CN2CCS(=O)(=O)[C@@H](C)C2)c(C)c1[N+](=O)[O-]	ZINC000151610787	664709015	/nfs/dbraw/zinc/70/90/15/664709015.db2.gz	AXBQFZMEIALWDH-QMMMGPOBSA-N	0	0	302.356	0.485	10	5		DCBERN
Cc1cc(C)n(C[C@@H]2CN(Cn3cc([N+](=O)[O-])cn3)CCO2)n1	ZINC000152870859	664777327	/nfs/dbraw/zinc/77/73/27/664777327.db2.gz	WICWWWSVUCLZLD-AWEZNQCLSA-N	0	0	320.353	0.963	10	5		DCBERN
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1	ZINC000120109947	667259950	/nfs/dbraw/zinc/25/99/50/667259950.db2.gz	ZWJRNDPNOIDLQH-ZIAGYGMSSA-N	0	0	317.301	0.814	10	5		DCBERN
CS(=O)(=O)CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC000050692829	1171735371	/nfs/dbraw/zinc/73/53/71/1171735371.db2.gz	BSTNPLSVGMXLAD-UHFFFAOYSA-N	0	0	321.742	0.605	10	5		DCBERN
CC(C)[C@H](NC(N)=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000067466307	1173774700	/nfs/dbraw/zinc/77/47/00/1173774700.db2.gz	BSPKQZVQXUIXAT-LBPRGKRZSA-N	0	0	308.338	0.946	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2O)c(F)c1	ZINC000178648135	1185051693	/nfs/dbraw/zinc/05/16/93/1185051693.db2.gz	CBVOVZCTTBVVMM-UWVGGRQHSA-N	0	0	304.299	0.926	10	5		DCBERN
Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1Cc2ccccc2[C@H]1O	ZINC000179768400	774001932	/nfs/dbraw/zinc/00/19/32/774001932.db2.gz	SEIOGVGJDXDRDV-ZWNOBZJWSA-N	0	0	302.290	0.716	10	5		DCBERN
CCCc1n[nH]c(C(=O)N2CCO[C@@]3(CCOC3)C2)c1[N+](=O)[O-]	ZINC000183827316	186221608	/nfs/dbraw/zinc/22/16/08/186221608.db2.gz	YWUBMMMZSSCJPJ-AWEZNQCLSA-N	0	0	324.337	0.902	10	5		DCBERN
C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N1CCOCC1	ZINC000180642149	199190094	/nfs/dbraw/zinc/19/00/94/199190094.db2.gz	ZMHVCWFWJFDPFX-JTQLQIEISA-N	0	0	308.338	0.628	10	5		DCBERN
C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1CCO	ZINC000187273919	200086543	/nfs/dbraw/zinc/08/65/43/200086543.db2.gz	VRCWFFSDUIDJPA-LBPRGKRZSA-N	0	0	307.350	0.662	10	5		DCBERN
CC(=O)N[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1	ZINC000159757461	291236504	/nfs/dbraw/zinc/23/65/04/291236504.db2.gz	PFVCOJKJKLDYOK-GFCCVEGCSA-N	0	0	308.338	0.357	10	5		DCBERN
CCC[C@]1(C)C(=O)NCCN1C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191899136	284042338	/nfs/dbraw/zinc/04/23/38/284042338.db2.gz	YFUOUNPCVNHQMO-CQSZACIVSA-N	0	0	323.353	0.942	10	5		DCBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000189863723	284203915	/nfs/dbraw/zinc/20/39/15/284203915.db2.gz	TZHCAUZPGXLIKA-XWIASGKRSA-N	0	0	322.321	0.591	10	5		DCBERN
CN1CCO[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1	ZINC000104785565	194039549	/nfs/dbraw/zinc/03/95/49/194039549.db2.gz	SXFWLOPZRHBVRI-CYBMUJFWSA-N	0	0	308.338	0.725	10	5		DCBERN
COc1cc(NC[C@H](C)S(N)(=O)=O)c(F)cc1[N+](=O)[O-]	ZINC000346171916	254018199	/nfs/dbraw/zinc/01/81/99/254018199.db2.gz	BXGRZWCIDFIUBM-LURJTMIESA-N	0	0	307.303	0.831	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)S(N)(=O)=O	ZINC000350622322	254320437	/nfs/dbraw/zinc/32/04/37/254320437.db2.gz	ZFNWKWIGFPSJLI-MRVPVSSYSA-N	0	0	301.324	0.310	10	5		DCBERN
CO[C@H]1C[C@@H](C(N)=O)N(c2ncc([N+](=O)[O-])cc2Cl)C1	ZINC000284663541	131101734	/nfs/dbraw/zinc/10/17/34/131101734.db2.gz	WAVIXXWBHOAAKM-CBAPKCEASA-N	0	0	300.702	0.722	10	5		DCBERN
O=C(N[C@@H]1CCc2ncnn2C1)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000112725218	395823337	/nfs/dbraw/zinc/82/33/37/395823337.db2.gz	JGYMVJHEBUTODK-SSDOTTSWSA-N	0	0	304.266	0.032	10	5		DCBERN
CNC(=O)[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1	ZINC000248436034	395987616	/nfs/dbraw/zinc/98/76/16/395987616.db2.gz	GCIQHWGXBAUOBC-OLZOCXBDSA-N	0	0	309.322	0.075	10	5		DCBERN
COC(=O)c1cnc(N[C@H]2CCc3ncnn3C2)c([N+](=O)[O-])c1	ZINC000276899839	396035410	/nfs/dbraw/zinc/03/54/10/396035410.db2.gz	NCVDIUOIKNGDJS-VIFPVBQESA-N	0	0	318.293	0.795	10	5		DCBERN
C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1(=O)=O	ZINC000154340763	396036651	/nfs/dbraw/zinc/03/66/51/396036651.db2.gz	JAGVUWXOEJBBRO-MFKMUULPSA-N	0	0	314.363	0.747	10	5		DCBERN
Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)CO)cc1[N+](=O)[O-]	ZINC000177798827	396183916	/nfs/dbraw/zinc/18/39/16/396183916.db2.gz	MXVHRRVIMOPDEQ-ZJUUUORDSA-N	0	0	309.322	0.975	10	5		DCBERN
CN(CC(=O)N1CCNC(=O)CC1)c1ccccc1[N+](=O)[O-]	ZINC000079999481	396273890	/nfs/dbraw/zinc/27/38/90/396273890.db2.gz	CNRUJPKUYJEVSL-UHFFFAOYSA-N	0	0	306.322	0.380	10	5		DCBERN
CC[C@@H](O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1	ZINC000184383698	396293157	/nfs/dbraw/zinc/29/31/57/396293157.db2.gz	XHYZHTAZLNQCSO-GFCCVEGCSA-N	0	0	322.365	0.706	10	5		DCBERN
COCC(=O)NC1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C1	ZINC000185212892	396321761	/nfs/dbraw/zinc/32/17/61/396321761.db2.gz	QUWMOZGODCCJSN-UHFFFAOYSA-N	0	0	307.306	0.111	10	5		DCBERN
COCC(=O)NC1CN(C(=O)c2cccc([N+](=O)[O-])c2C)C1	ZINC000185245260	396323055	/nfs/dbraw/zinc/32/30/55/396323055.db2.gz	XRMXRKIFJZYMOV-UHFFFAOYSA-N	0	0	307.306	0.490	10	5		DCBERN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCn3ncnc32)c1	ZINC000185924371	396336934	/nfs/dbraw/zinc/33/69/34/396336934.db2.gz	DEMOROVFCCUNOR-NSHDSACASA-N	0	0	323.334	1.000	10	5		DCBERN
O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](n2cncn2)C1	ZINC000187076690	396363171	/nfs/dbraw/zinc/36/31/71/396363171.db2.gz	SMHCLORJDJVQHF-SNVBAGLBSA-N	0	0	318.293	0.764	10	5		DCBERN
CCN1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1=O	ZINC000191527208	396421559	/nfs/dbraw/zinc/42/15/59/396421559.db2.gz	KHIPPPSQGWOACV-UHFFFAOYSA-N	0	0	306.322	0.963	10	5		DCBERN
O=[N+]([O-])c1ccccc1CS(=O)(=O)NC1CC(CO)C1	ZINC000595400450	396602745	/nfs/dbraw/zinc/60/27/45/396602745.db2.gz	FVRVYPKYRULURE-UHFFFAOYSA-N	0	0	300.336	0.785	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl	ZINC000596437345	396778040	/nfs/dbraw/zinc/77/80/40/396778040.db2.gz	VZJJRNZWMIYDMO-IUCAKERBSA-N	0	0	321.742	0.867	10	5		DCBERN
CNS(=O)(=O)c1ccc(N2Cc3c[nH]nc3C2)c([N+](=O)[O-])c1	ZINC000590567742	396800102	/nfs/dbraw/zinc/80/01/02/396800102.db2.gz	FAUONQKDZVAJLX-UHFFFAOYSA-N	0	0	323.334	0.746	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC(Cc2ccccc2)C1	ZINC000611520332	396878426	/nfs/dbraw/zinc/87/84/26/396878426.db2.gz	YENBXJNZKVNAAO-UHFFFAOYSA-N	0	0	301.306	0.887	10	5		DCBERN
Cc1nnc(CN2CCN(c3cccnc3[N+](=O)[O-])CC2)[nH]1	ZINC000611617500	396896213	/nfs/dbraw/zinc/89/62/13/396896213.db2.gz	CWWGZXIVZYRXDQ-UHFFFAOYSA-N	0	0	303.326	0.739	10	5		DCBERN
Cn1cc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)nn1	ZINC000611934993	396951587	/nfs/dbraw/zinc/95/15/87/396951587.db2.gz	KGWVEXXEDXEZPM-UHFFFAOYSA-N	0	0	311.323	0.343	10	5		DCBERN
Cn1cc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)nn1	ZINC000611941188	396952899	/nfs/dbraw/zinc/95/28/99/396952899.db2.gz	GMDQXULPKGSYEC-UHFFFAOYSA-N	0	0	304.310	0.765	10	5		DCBERN
COC(=O)CCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000157110784	158351605	/nfs/dbraw/zinc/35/16/05/158351605.db2.gz	WXWFTWIXDLTGDV-UHFFFAOYSA-N	0	0	320.298	0.965	10	5		DCBERN
CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000188442984	158545075	/nfs/dbraw/zinc/54/50/75/158545075.db2.gz	MICKPMFHTDALRA-SSDOTTSWSA-N	0	0	321.380	0.801	10	5		DCBERN
Nc1c(C(=O)N2CC(n3ccnn3)C2)cc(F)cc1[N+](=O)[O-]	ZINC000375837489	159822919	/nfs/dbraw/zinc/82/29/19/159822919.db2.gz	CINKXESUNSGPHN-UHFFFAOYSA-N	0	0	306.257	0.605	10	5		DCBERN
C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1	ZINC000408325586	160085684	/nfs/dbraw/zinc/08/56/84/160085684.db2.gz	BXXVFTDBCCDWII-RNCFNFMXSA-N	0	0	310.310	0.348	10	5		DCBERN
CCNC(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1	ZINC000121390086	415805730	/nfs/dbraw/zinc/80/57/30/415805730.db2.gz	CMEALKAKZRPLSV-UHFFFAOYSA-N	0	0	307.306	0.812	10	5		DCBERN
CC[C@@H](CO)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1	ZINC000179393504	416187454	/nfs/dbraw/zinc/18/74/54/416187454.db2.gz	KFWDAXRUCRRYHQ-LBPRGKRZSA-N	0	0	322.365	0.827	10	5		DCBERN
COC1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1	ZINC000358118116	416194805	/nfs/dbraw/zinc/19/48/05/416194805.db2.gz	ILNFIIVXMPBPLN-SNVBAGLBSA-N	0	0	323.305	0.650	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(N[C@@H](CCO)C3CCOCC3)nn21	ZINC000359220398	416315270	/nfs/dbraw/zinc/31/52/70/416315270.db2.gz	GJZRTIMQYLKYAU-NSHDSACASA-N	0	0	321.337	1.227	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@](CC)(C(N)=O)C(C)C)n1	ZINC000191704284	416288043	/nfs/dbraw/zinc/28/80/43/416288043.db2.gz	DFABHVPCXRXRDL-CYBMUJFWSA-N	0	0	311.342	0.831	10	5		DCBERN
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](O)C(F)F	ZINC000435592701	416526923	/nfs/dbraw/zinc/52/69/23/416526923.db2.gz	IUGRBQSHUVYWSQ-ZETCQYMHSA-N	0	0	311.266	0.280	10	5		DCBERN
CN(C)S(=O)(=O)c1ccc(N2CCCO2)c([N+](=O)[O-])c1	ZINC000542506719	416625304	/nfs/dbraw/zinc/62/53/04/416625304.db2.gz	ORXJBHMCVKXPBR-UHFFFAOYSA-N	0	0	301.324	0.987	10	5		DCBERN
COC(=O)CCN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443688565	416775744	/nfs/dbraw/zinc/77/57/44/416775744.db2.gz	JTBRVJWDGJFDIJ-UHFFFAOYSA-N	0	0	316.335	0.920	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)n1	ZINC000617408092	417214194	/nfs/dbraw/zinc/21/41/94/417214194.db2.gz	ZTBLXROIAOQGPS-OPRDCNLKSA-N	0	0	321.337	0.550	10	5		DCBERN
Cc1c(CC(=O)N(C)Cc2nnnn2C)cccc1[N+](=O)[O-]	ZINC000438937438	287376658	/nfs/dbraw/zinc/37/66/58/287376658.db2.gz	YJINXUDLMWTCGX-UHFFFAOYSA-N	0	0	304.310	0.628	10	5		DCBERN
C[N@@+]1([O-])[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000575336285	417529468	/nfs/dbraw/zinc/52/94/68/417529468.db2.gz	UCHIECVTJBGPNP-MIJZHBPMSA-N	0	0	320.365	0.822	10	5		DCBERN
C[C@H](O)CN(Cc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000531085859	417605455	/nfs/dbraw/zinc/60/54/55/417605455.db2.gz	CDFPFPHAKUOVEA-NSHDSACASA-N	0	0	319.321	0.596	10	5		DCBERN
NC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC(=O)N(C2CC2)C1	ZINC000301479050	229690492	/nfs/dbraw/zinc/69/04/92/229690492.db2.gz	CQVZZYLWFRZPHU-MRVPVSSYSA-N	0	0	304.306	0.869	10	5		DCBERN
Cc1cccc2c1OC[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C2	ZINC000362189354	262007567	/nfs/dbraw/zinc/00/75/67/262007567.db2.gz	WPUNVKMWYXUJNF-NSHDSACASA-N	0	0	317.305	0.615	10	5		DCBERN
COC[C@@](C)(NC(=O)Cn1ccc([N+](=O)[O-])n1)C(F)(F)F	ZINC000362205995	262009632	/nfs/dbraw/zinc/00/96/32/262009632.db2.gz	YCUWKRUGWIRIPF-SECBINFHSA-N	0	0	310.232	0.875	10	5		DCBERN
CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ncccc1[N+](=O)[O-]	ZINC000362662090	262057137	/nfs/dbraw/zinc/05/71/37/262057137.db2.gz	HHVMSPNOJCWSRP-IUCAKERBSA-N	0	0	310.310	0.858	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000112663146	274118902	/nfs/dbraw/zinc/11/89/02/274118902.db2.gz	IQPFHQLKWPPDEO-SECBINFHSA-N	0	0	317.305	0.940	10	5		DCBERN
COC(=O)Cn1cc(CCOc2ccc([N+](=O)[O-])cc2)nn1	ZINC000159124287	523393250	/nfs/dbraw/zinc/39/32/50/523393250.db2.gz	XKLWDWMSHFMXAQ-UHFFFAOYSA-N	0	0	306.278	0.981	10	5		DCBERN
C[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCC1=O	ZINC000188625503	524477984	/nfs/dbraw/zinc/47/79/84/524477984.db2.gz	ZNJMZLQJMKPJIO-JTQLQIEISA-N	0	0	319.317	0.762	10	5		DCBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)NC(=O)NC(C)(C)C)c1=O	ZINC000127202308	525572108	/nfs/dbraw/zinc/57/21/08/525572108.db2.gz	YTNOIHKFEXRWLP-UHFFFAOYSA-N	0	0	310.310	0.689	10	5		DCBERN
Cc1cc(C(=O)N2CC(NC(=O)C3CC3)C2)c(N)c([N+](=O)[O-])c1	ZINC000189488632	526235215	/nfs/dbraw/zinc/23/52/15/526235215.db2.gz	VQLRNXIDUSZLDW-UHFFFAOYSA-N	0	0	318.333	0.836	10	5		DCBERN
O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC(CO)C1	ZINC000184899894	527399142	/nfs/dbraw/zinc/39/91/42/527399142.db2.gz	KZFMUYYIVQRYGQ-UHFFFAOYSA-N	0	0	300.336	0.391	10	5		DCBERN
O=C(NC1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)C1CC1	ZINC000187975210	527543848	/nfs/dbraw/zinc/54/38/48/527543848.db2.gz	OGHSYVPRDGIGIC-CQSZACIVSA-N	0	0	305.334	0.839	10	5		DCBERN
COc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)O)cc1[N+](=O)[O-]	ZINC000344920426	663080831	/nfs/dbraw/zinc/08/08/31/663080831.db2.gz	SSTMIDGZCHSLCI-YUMQZZPRSA-N	0	0	304.324	0.651	10	5		DCBERN
Cc1cc(C)n(C[C@H]2CN(Cn3nccc3[N+](=O)[O-])CCO2)n1	ZINC000152877385	664778030	/nfs/dbraw/zinc/77/80/30/664778030.db2.gz	LKHYCQDITDREKE-CYBMUJFWSA-N	0	0	320.353	0.963	10	5		DCBERN
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000068100438	665398524	/nfs/dbraw/zinc/39/85/24/665398524.db2.gz	SHFYELWAEBJBCS-WPRPVWTQSA-N	0	0	306.322	0.903	10	5		DCBERN
COc1cc(NCCCS(N)(=O)=O)c([N+](=O)[O-])cc1OC	ZINC000213840026	1157638273	/nfs/dbraw/zinc/63/82/73/1157638273.db2.gz	CLGJXXUOTJSFCJ-UHFFFAOYSA-N	0	0	319.339	0.703	10	5		DCBERN
O=C(c1cccc(Cl)c1[N+](=O)[O-])N1C[C@H](CO)[C@H](O)C1	ZINC000317612254	1190423308	/nfs/dbraw/zinc/42/33/08/1190423308.db2.gz	GLQJEWGNPBFXME-GMSGAONNSA-N	0	0	300.698	0.673	10	5		DCBERN
CCc1nn(C)c(N[C@H]2C[C@H](S(C)(=O)=O)C2)c1[N+](=O)[O-]	ZINC000714251052	941452338	/nfs/dbraw/zinc/45/23/38/941452338.db2.gz	VTJXOYNMBRBRFL-ZKCHVHJHSA-N	0	0	302.356	0.878	10	5		DCBERN
CN(CCN1CCOC1=O)c1ccc2ncc([N+](=O)[O-])n2n1	ZINC000301981176	529910368	/nfs/dbraw/zinc/91/03/68/529910368.db2.gz	XWRRMVZYQWMMFT-UHFFFAOYSA-N	0	0	306.282	0.526	10	5		DCBERN
COc1ccc([N+](=O)[O-])c2c1CCN2C(=O)C[C@@H]([NH3+])C(=O)[O-]	ZINC000072266931	191089830	/nfs/dbraw/zinc/08/98/30/191089830.db2.gz	ATNVWKDWOLQDKH-MRVPVSSYSA-N	0	0	309.278	0.295	10	5	in-vitro	DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(Cn2cccn2)CC1	ZINC000172394939	198089844	/nfs/dbraw/zinc/08/98/44/198089844.db2.gz	FHBYEMWLMWEZPB-UHFFFAOYSA-N	0	0	318.337	0.927	10	5		DCBERN
CN(C)c1ncc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cn1	ZINC000154761748	291215480	/nfs/dbraw/zinc/21/54/80/291215480.db2.gz	HISAKOGMXXFLTG-UHFFFAOYSA-N	0	0	320.313	0.469	10	5		DCBERN
COCCOc1cc(C(N)=O)c([N+](=O)[O-])cc1OCCOC	ZINC000091301637	193035070	/nfs/dbraw/zinc/03/50/70/193035070.db2.gz	WHLYYHRXEBOXGS-UHFFFAOYSA-N	0	0	314.294	0.744	10	5		DCBERN
Cc1cc(C(=O)NC[C@@H](C)S(N)(=O)=O)cc([N+](=O)[O-])c1	ZINC000350629460	254321305	/nfs/dbraw/zinc/32/13/05/254321305.db2.gz	OQTVWQQRMZSLRR-MRVPVSSYSA-N	0	0	301.324	0.310	10	5		DCBERN
CCC(CC)(NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(N)=O	ZINC000101923192	395768311	/nfs/dbraw/zinc/76/83/11/395768311.db2.gz	VPVLPYQQNBRSKF-UHFFFAOYSA-N	0	0	321.380	0.979	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN(C)CCO1	ZINC000194628970	395802960	/nfs/dbraw/zinc/80/29/60/395802960.db2.gz	SWQDQRLNSLBCDV-NSHDSACASA-N	0	0	309.322	0.664	10	5		DCBERN
C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C(N)=O)O1	ZINC000246306224	395947252	/nfs/dbraw/zinc/94/72/52/395947252.db2.gz	QESPYZGFLCPDHY-WQAKAFBOSA-N	0	0	309.322	0.203	10	5		DCBERN
COc1ccc(S(=O)(=O)NC2(CO)CC2)c([N+](=O)[O-])c1	ZINC000164246535	396087964	/nfs/dbraw/zinc/08/79/64/396087964.db2.gz	AAQGNSMJWNWYGT-UHFFFAOYSA-N	0	0	302.308	0.407	10	5		DCBERN
CO[C@@H]1C[C@@H](c2nc(C)no2)N(c2ncc([N+](=O)[O-])c(N)n2)C1	ZINC000277594763	396076530	/nfs/dbraw/zinc/07/65/30/396076530.db2.gz	RNLXRRZDYKXXMN-SFYZADRCSA-N	0	0	321.297	0.625	10	5		DCBERN
COCC(=O)NC1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1	ZINC000185283529	396323787	/nfs/dbraw/zinc/32/37/87/396323787.db2.gz	FFLKYTLARORJMN-UHFFFAOYSA-N	0	0	307.306	0.490	10	5		DCBERN
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)[C@@H]2C1	ZINC000285987689	396367777	/nfs/dbraw/zinc/36/77/77/396367777.db2.gz	YDCOTTOPJQXPHQ-KGLIPLIRSA-N	0	0	321.333	0.846	10	5		DCBERN
C[C@H]1C(=O)NCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000188089902	396379121	/nfs/dbraw/zinc/37/91/21/396379121.db2.gz	ABPQXQLITXMOFH-QMMMGPOBSA-N	0	0	317.305	0.822	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1cn(C)nn1	ZINC000611938555	396953240	/nfs/dbraw/zinc/95/32/40/396953240.db2.gz	OKHYPLDQCNSPSL-UHFFFAOYSA-N	0	0	320.309	0.731	10	5		DCBERN
O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2cc[nH]n2)c1	ZINC000377809069	397144692	/nfs/dbraw/zinc/14/46/92/397144692.db2.gz	KZKQAKAHUGMRJR-DGCLKSJQSA-N	0	0	306.326	0.712	10	5		DCBERN
CCN1CC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1=O	ZINC000619825269	397197493	/nfs/dbraw/zinc/19/74/93/397197493.db2.gz	JQVYALFHRINCKR-NSHDSACASA-N	0	0	317.305	0.822	10	5		DCBERN
CCOC(=O)C1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCC1	ZINC000610119145	397803855	/nfs/dbraw/zinc/80/38/55/397803855.db2.gz	MLHPWRDMESIZCT-UHFFFAOYSA-N	0	0	311.298	0.036	10	5		DCBERN
O=C1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1	ZINC000054257602	158020541	/nfs/dbraw/zinc/02/05/41/158020541.db2.gz	JIULRHQSDWKMTP-UHFFFAOYSA-N	0	0	317.305	0.967	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](N2CCOCC2)C1	ZINC000172746574	158398679	/nfs/dbraw/zinc/39/86/79/158398679.db2.gz	GCMSSAPHLGYVHI-GFCCVEGCSA-N	0	0	323.353	0.033	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C)C(=O)C1	ZINC000189822011	158556125	/nfs/dbraw/zinc/55/61/25/158556125.db2.gz	LWYLTMTXQDBWEL-UHFFFAOYSA-N	0	0	307.306	0.908	10	5		DCBERN
CN1CCO[C@@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@H]21	ZINC000286250246	415628713	/nfs/dbraw/zinc/62/87/13/415628713.db2.gz	DZQGWZNMNNLVPF-CHWSQXEVSA-N	0	0	320.349	0.722	10	5		DCBERN
COC(=O)c1cnc(N2CC(=O)N(C)[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000283345996	415590252	/nfs/dbraw/zinc/59/02/52/415590252.db2.gz	BFWYRIXZWOPCIX-MRVPVSSYSA-N	0	0	308.294	0.443	10	5		DCBERN
C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O	ZINC000122126964	415827842	/nfs/dbraw/zinc/82/78/42/415827842.db2.gz	DVSLQLACQQKLPR-SNVBAGLBSA-N	0	0	312.347	0.783	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H](C)CO	ZINC000158832894	416003388	/nfs/dbraw/zinc/00/33/88/416003388.db2.gz	RGBIWUMGKKJMDV-DTWKUNHWSA-N	0	0	318.351	0.899	10	5		DCBERN
COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)CO)c([N+](=O)[O-])c1	ZINC000158819265	416003649	/nfs/dbraw/zinc/00/36/49/416003649.db2.gz	DDUIFUVOVXCDMY-IUCAKERBSA-N	0	0	318.351	0.899	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)[C@@H](C)CO	ZINC000158776281	416003684	/nfs/dbraw/zinc/00/36/84/416003684.db2.gz	KMXCGFQYQHQWDZ-DTWKUNHWSA-N	0	0	318.351	0.899	10	5		DCBERN
C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1nnc2n1CCCC2	ZINC000178606413	416166953	/nfs/dbraw/zinc/16/69/53/416166953.db2.gz	FDFSWEUXWODDLI-VIFPVBQESA-N	0	0	319.325	0.597	10	5		DCBERN
CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](O)CN1CCOCC1	ZINC000195337242	416326024	/nfs/dbraw/zinc/32/60/24/416326024.db2.gz	ILBRFZYTCFTYME-LLVKDONJSA-N	0	0	313.358	0.225	10	5		DCBERN
COCCNc1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000360079042	416369669	/nfs/dbraw/zinc/36/96/69/416369669.db2.gz	MGDDIGSKCONNMO-UHFFFAOYSA-N	0	0	320.309	0.883	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(NC[C@H](CO)[C@@H]3CCOC3)nn21	ZINC000360276662	416383816	/nfs/dbraw/zinc/38/38/16/416383816.db2.gz	XZQSFUMHYBHGGQ-NXEZZACHSA-N	0	0	307.310	0.694	10	5		DCBERN
COC(=O)c1cc(C)nc(NCc2cn(C)nn2)c1[N+](=O)[O-]	ZINC000588014992	416521876	/nfs/dbraw/zinc/52/18/76/416521876.db2.gz	XUIXGFJIIDEXSX-UHFFFAOYSA-N	0	0	306.282	0.825	10	5		DCBERN
COC[C@@](C)(O)CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-]	ZINC000557568821	416739882	/nfs/dbraw/zinc/73/98/82/416739882.db2.gz	KPDJJCHKDRETIE-ZDUSSCGKSA-N	0	0	313.310	0.894	10	5		DCBERN
CCOC(=O)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443781224	416780378	/nfs/dbraw/zinc/78/03/78/416780378.db2.gz	PQIDYXOCMVOZPJ-UHFFFAOYSA-N	0	0	302.308	0.577	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(OC2COC2)cc1	ZINC000444531625	416848170	/nfs/dbraw/zinc/84/81/70/416848170.db2.gz	NZEISWGDHNSMFW-UHFFFAOYSA-N	0	0	319.277	0.603	10	5		DCBERN
CC(=O)N1CC(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1	ZINC000530357773	417571988	/nfs/dbraw/zinc/57/19/88/417571988.db2.gz	KZRWSOWBOUSFFR-UHFFFAOYSA-N	0	0	303.318	0.958	10	5		DCBERN
CC(C)[C@@H](CO)[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(C)C	ZINC000456179249	417630357	/nfs/dbraw/zinc/63/03/57/417630357.db2.gz	NMNOZNLHWIRTKA-PWSUYJOCSA-N	0	0	313.358	0.592	10	5		DCBERN
COC(=O)c1cc(C)ccc1NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000505250026	272390396	/nfs/dbraw/zinc/39/03/96/272390396.db2.gz	YXCPDAAWVTYCEV-UHFFFAOYSA-N	0	0	319.277	0.920	10	5		DCBERN
CC(=O)NC1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1	ZINC000188567780	277026473	/nfs/dbraw/zinc/02/64/73/277026473.db2.gz	OMXJJXNZFLMKTK-UHFFFAOYSA-N	0	0	317.298	0.243	10	5		DCBERN
CNC(=O)c1ccc(N2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000371809060	277259062	/nfs/dbraw/zinc/25/90/62/277259062.db2.gz	MSNPRJXMEOSSBI-LBPRGKRZSA-N	0	0	320.349	0.475	10	5		DCBERN
CCOc1ccc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)cc1[N+](=O)[O-]	ZINC000547403566	288043862	/nfs/dbraw/zinc/04/38/62/288043862.db2.gz	QTXPPKUKKINPSB-YPMHNXCESA-N	0	0	324.333	0.809	10	5		DCBERN
C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCC1=O	ZINC000276489381	288262634	/nfs/dbraw/zinc/26/26/34/288262634.db2.gz	PRZBLMXOXRSOQE-MRVPVSSYSA-N	0	0	313.335	0.658	10	5		DCBERN
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CO	ZINC000228410377	521917251	/nfs/dbraw/zinc/91/72/51/521917251.db2.gz	NFGFOBMQKXECRO-SSDOTTSWSA-N	0	0	318.307	0.041	10	5		DCBERN
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)O	ZINC000228410345	521918420	/nfs/dbraw/zinc/91/84/20/521918420.db2.gz	VMUHFZQJPXHZPC-SSDOTTSWSA-N	0	0	318.307	0.041	10	5		DCBERN
CNS(=O)(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000188980121	522202320	/nfs/dbraw/zinc/20/23/20/522202320.db2.gz	XOGMEXJDKZPKFQ-UHFFFAOYSA-N	0	0	301.324	0.182	10	5		DCBERN
C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])N1CCOCC1	ZINC000124574037	524434138	/nfs/dbraw/zinc/43/41/38/524434138.db2.gz	NPIJZFONTGKKCK-SNVBAGLBSA-N	0	0	309.326	0.832	10	5		DCBERN
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CCS1(=O)=O	ZINC000121828799	524868978	/nfs/dbraw/zinc/86/89/78/524868978.db2.gz	NODQRZIESKDZBT-MRVPVSSYSA-N	0	0	316.310	0.993	10	5		DCBERN
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[C@@H]2C1	ZINC000285275520	536468743	/nfs/dbraw/zinc/46/87/43/536468743.db2.gz	AWZLOEYESJWELE-OCCSQVGLSA-N	0	0	321.333	0.846	10	5		DCBERN
O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCOC[C@H]1CO	ZINC000168564242	664525854	/nfs/dbraw/zinc/52/58/54/664525854.db2.gz	DBBLRMKTNPHZNH-LLVKDONJSA-N	0	0	312.347	0.907	10	5		DCBERN
C[C@H](C(N)=O)N(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000711090567	667448956	/nfs/dbraw/zinc/44/89/56/667448956.db2.gz	SFRJTNNZQFMRBF-ZCFIWIBFSA-N	0	0	305.287	0.228	10	5		DCBERN
O=C(NCC1CC1)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000042891884	669829691	/nfs/dbraw/zinc/82/96/91/669829691.db2.gz	QUFPXXKMTGNXRZ-OLZOCXBDSA-N	0	0	309.322	0.698	10	5		DCBERN
CC(C)CNC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000042893655	669830277	/nfs/dbraw/zinc/83/02/77/669830277.db2.gz	BYTDUNCGIOPHBZ-OLZOCXBDSA-N	0	0	311.338	0.944	10	5		DCBERN
O=C(N[C@H]1CCC(=O)NC1=O)c1cccc([N+](=O)[O-])c1Cl	ZINC000160453303	685138244	/nfs/dbraw/zinc/13/82/44/685138244.db2.gz	XBDYWLGTTOGGBE-ZETCQYMHSA-N	0	0	311.681	0.783	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1c[nH]cn1	ZINC000088759543	1175274366	/nfs/dbraw/zinc/27/43/66/1175274366.db2.gz	FIPXVSOHMCGYLY-UHFFFAOYSA-N	0	0	312.307	0.805	10	5		DCBERN
CO[C@]1(CNc2ccc([N+](=O)[O-])cn2)CCS(=O)(=O)C1	ZINC000721212092	944696181	/nfs/dbraw/zinc/69/61/81/944696181.db2.gz	USQQKXFMRNXTBI-NSHDSACASA-N	0	0	301.324	0.605	10	5		DCBERN
Nn1ccc2c(cnc3ccn(Cc4cccnc4)c(=O)c32)c1=O	ZINC000072452826	191171960	/nfs/dbraw/zinc/17/19/60/191171960.db2.gz	UKXQFZWUAWEIGZ-UHFFFAOYSA-N	0	0	319.324	0.869	10	5		DCBERN
Cc1c(Cl)cc(S(=O)(=O)N2CC(O)C2)cc1[N+](=O)[O-]	ZINC000062809678	184253792	/nfs/dbraw/zinc/25/37/92/184253792.db2.gz	LXMWRFVKZAPBSC-UHFFFAOYSA-N	0	0	306.727	0.922	10	5		DCBERN
C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)S(N)(=O)=O	ZINC000350617052	254318956	/nfs/dbraw/zinc/31/89/56/254318956.db2.gz	ZGSUFWYMXYUUFD-LURJTMIESA-N	0	0	305.287	0.141	10	5		DCBERN
Cc1nn(C)c(N2CCN(Cc3nccn3C)CC2)c1[N+](=O)[O-]	ZINC000108952286	395795288	/nfs/dbraw/zinc/79/52/88/395795288.db2.gz	XHQXGKOHGGPPEC-UHFFFAOYSA-N	0	0	319.369	0.692	10	5		DCBERN
CN1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCC1=O	ZINC000150731780	395971847	/nfs/dbraw/zinc/97/18/47/395971847.db2.gz	SRNZCFVDEAPCSZ-SNVBAGLBSA-N	0	0	307.306	0.711	10	5		DCBERN
Cc1sc(C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1[N+](=O)[O-]	ZINC000177507706	396177240	/nfs/dbraw/zinc/17/72/40/396177240.db2.gz	OSNHLOCLNIYYRK-QMMMGPOBSA-N	0	0	310.335	0.814	10	5		DCBERN
Cn1cnc([N+](=O)[O-])c1NCC(C)(C)N1CCS(=O)CC1	ZINC000077210052	396214968	/nfs/dbraw/zinc/21/49/68/396214968.db2.gz	ZIKASENWSVDZPR-UHFFFAOYSA-N	0	0	315.399	0.583	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(CO)C2)c2ncccc12	ZINC000185759587	396334517	/nfs/dbraw/zinc/33/45/17/396334517.db2.gz	QKLLQWDEHQRKGY-UHFFFAOYSA-N	0	0	323.330	0.756	10	5		DCBERN
CN1C(=O)N[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21	ZINC000286246176	396383422	/nfs/dbraw/zinc/38/34/22/396383422.db2.gz	KWRKVDHGMOFTTN-NEPJUHHUSA-N	0	0	322.296	0.972	10	5		DCBERN
CCN1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1=O	ZINC000190646351	396409651	/nfs/dbraw/zinc/40/96/51/396409651.db2.gz	KZLHYFBPDOFJMD-UHFFFAOYSA-N	0	0	313.335	0.714	10	5		DCBERN
COCCN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1=O	ZINC000191247167	396417443	/nfs/dbraw/zinc/41/74/43/396417443.db2.gz	TXVAEBFOWQYAGY-UHFFFAOYSA-N	0	0	321.333	0.916	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCNC(=O)[C@H]2CC(C)C)n1	ZINC000191719723	396423596	/nfs/dbraw/zinc/42/35/96/396423596.db2.gz	LWAYCSKNKBVOQJ-SNVBAGLBSA-N	0	0	323.353	0.798	10	5		DCBERN
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N2CCOC[C@@H]12	ZINC000193043909	396442534	/nfs/dbraw/zinc/44/25/34/396442534.db2.gz	ZLLBTZKZDYKGIM-QWRGUYRKSA-N	0	0	308.250	0.332	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CC(CO)C1	ZINC000595399931	396603089	/nfs/dbraw/zinc/60/30/89/396603089.db2.gz	IRJBGPRFLHHIOZ-UHFFFAOYSA-N	0	0	300.336	0.952	10	5		DCBERN
CC(=O)N1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000589102034	396704384	/nfs/dbraw/zinc/70/43/84/396704384.db2.gz	VWYZPHBNEFSBKA-SECBINFHSA-N	0	0	307.310	0.369	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1nccc(C)c1[N+](=O)[O-]	ZINC000596431798	396774243	/nfs/dbraw/zinc/77/42/43/396774243.db2.gz	CINITQSCVJFPBP-IUCAKERBSA-N	0	0	301.324	0.522	10	5		DCBERN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)c1	ZINC000599493128	397458248	/nfs/dbraw/zinc/45/82/48/397458248.db2.gz	KBQKXPBZBUNAKU-GHMZBOCLSA-N	0	0	302.308	0.023	10	5		DCBERN
O=C1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN1	ZINC000065955037	158035045	/nfs/dbraw/zinc/03/50/45/158035045.db2.gz	DOTOUGDHPRPZSU-UHFFFAOYSA-N	0	0	317.305	0.967	10	5		DCBERN
Cc1nn(C)c(C(=O)Nc2cnc(N(C)C)nc2)c1[N+](=O)[O-]	ZINC000125341022	158254182	/nfs/dbraw/zinc/25/41/82/158254182.db2.gz	PCOPSBVEVNPIOV-UHFFFAOYSA-N	0	0	305.298	0.745	10	5		DCBERN
CNC(=O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000178927607	158466945	/nfs/dbraw/zinc/46/69/45/158466945.db2.gz	ANUVRQIZNFJOOH-NSHDSACASA-N	0	0	315.351	0.644	10	5		DCBERN
C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1N1CCOCC1	ZINC000408038342	160019295	/nfs/dbraw/zinc/01/92/95/160019295.db2.gz	KQSPTMOORVEXRQ-GHMZBOCLSA-N	0	0	323.353	0.121	10	5		DCBERN
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CCS1(=O)=O	ZINC000408197275	160057348	/nfs/dbraw/zinc/05/73/48/160057348.db2.gz	HSPTVOYUPASEOF-MRVPVSSYSA-N	0	0	301.324	0.192	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1	ZINC000131862837	287002469	/nfs/dbraw/zinc/00/24/69/287002469.db2.gz	PWDPCCPXZYOULO-ZJUUUORDSA-N	0	0	309.326	0.260	10	5		DCBERN
CN(CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)NC(C)(C)C	ZINC000090512435	415530431	/nfs/dbraw/zinc/53/04/31/415530431.db2.gz	ALZVGHWTSSAMBY-UHFFFAOYSA-N	0	0	310.354	0.603	10	5		DCBERN
O=C(N[C@H]1CCc2ncnn2C1)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000112725219	415715526	/nfs/dbraw/zinc/71/55/26/415715526.db2.gz	JGYMVJHEBUTODK-ZETCQYMHSA-N	0	0	304.266	0.032	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H](C)CO	ZINC000158833007	416003839	/nfs/dbraw/zinc/00/38/39/416003839.db2.gz	RGBIWUMGKKJMDV-RKDXNWHRSA-N	0	0	318.351	0.899	10	5		DCBERN
O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@@H](N2CCOCC2)C1	ZINC000183567839	416246172	/nfs/dbraw/zinc/24/61/72/416246172.db2.gz	HQSMGXNYRTXSDJ-LLVKDONJSA-N	0	0	321.337	0.928	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2CC(=O)OC)n1	ZINC000191680738	416289264	/nfs/dbraw/zinc/28/92/64/416289264.db2.gz	JHTPVWPGCOCYLB-SECBINFHSA-N	0	0	310.310	0.979	10	5		DCBERN
Cc1cc([N+](=O)[O-])cn(Cc2nnnn2CC(F)(F)F)c1=O	ZINC000192138291	416299535	/nfs/dbraw/zinc/29/95/35/416299535.db2.gz	JYIAOUWFEVSHEC-UHFFFAOYSA-N	0	0	318.215	0.662	10	5		DCBERN
CN1CCOC[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000408053990	417137039	/nfs/dbraw/zinc/13/70/39/417137039.db2.gz	JSOIFLKGZSFGPQ-CYBMUJFWSA-N	0	0	306.322	0.205	10	5		DCBERN
CN(c1ccc([N+](=O)[O-])nc1)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000450540597	417235126	/nfs/dbraw/zinc/23/51/26/417235126.db2.gz	QDESOOJHYSOPIE-JTQLQIEISA-N	0	0	300.340	0.460	10	5		DCBERN
CCNC(=O)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1	ZINC000531864120	417643948	/nfs/dbraw/zinc/64/39/48/417643948.db2.gz	HOCQQFAWRDADKE-SECBINFHSA-N	0	0	309.326	0.467	10	5		DCBERN
CC(C)[C@@H]1OCCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000488057019	287545413	/nfs/dbraw/zinc/54/54/13/287545413.db2.gz	LRIPYESHQVXTFI-JQWIXIFHSA-N	0	0	311.342	0.754	10	5		DCBERN
NC(=O)c1coc(CNC(=O)COc2ccccc2[N+](=O)[O-])c1	ZINC000186660753	261121160	/nfs/dbraw/zinc/12/11/60/261121160.db2.gz	SKDAIMICMRUHEY-UHFFFAOYSA-N	0	0	319.273	0.982	10	5		DCBERN
Cc1cccc(CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)n1	ZINC000359130656	261723740	/nfs/dbraw/zinc/72/37/40/261723740.db2.gz	HGYLKHSHENHGHS-UHFFFAOYSA-N	0	0	304.310	0.639	10	5		DCBERN
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1c([N+](=O)[O-])ncn1C	ZINC000362664545	262058415	/nfs/dbraw/zinc/05/84/15/262058415.db2.gz	MMNSNENNJGMPBV-SFYZADRCSA-N	0	0	313.314	0.197	10	5		DCBERN
CNc1c(C(=O)N2CCN3CCOC[C@H]3C2)cccc1[N+](=O)[O-]	ZINC000360930450	271166474	/nfs/dbraw/zinc/16/64/74/271166474.db2.gz	ISOUFDAOPSWQMF-LLVKDONJSA-N	0	0	320.349	0.793	10	5		DCBERN
CNc1c(C(=O)N2CC[C@@H](NC(N)=O)C2)cccc1[N+](=O)[O-]	ZINC000360951156	271168983	/nfs/dbraw/zinc/16/89/83/271168983.db2.gz	KXJHLRWXTFWRTB-MRVPVSSYSA-N	0	0	307.310	0.519	10	5		DCBERN
Cc1ccccc1[C@H](CO)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000537786924	287872876	/nfs/dbraw/zinc/87/28/76/287872876.db2.gz	JXKWPSVFRLIWCM-NSHDSACASA-N	0	0	305.294	0.345	10	5		DCBERN
Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)S(N)(=O)=O	ZINC000398258698	337310402	/nfs/dbraw/zinc/31/04/02/337310402.db2.gz	SWLMVRHFVZUVTN-MRVPVSSYSA-N	0	0	301.324	0.310	10	5		DCBERN
CC(=O)NC1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1	ZINC000190458716	519647898	/nfs/dbraw/zinc/64/78/98/519647898.db2.gz	WXFDBRDHJZGAQZ-UHFFFAOYSA-N	0	0	306.322	0.378	10	5		DCBERN
COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000190715444	523813523	/nfs/dbraw/zinc/81/35/23/523813523.db2.gz	QCJQNAAQKKXHHN-NRUUGDAUSA-N	0	0	322.321	0.591	10	5		DCBERN
C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCC1=O	ZINC000188625482	524782193	/nfs/dbraw/zinc/78/21/93/524782193.db2.gz	ZNJMZLQJMKPJIO-SNVBAGLBSA-N	0	0	319.317	0.762	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H](C)CO	ZINC000158833120	525474504	/nfs/dbraw/zinc/47/45/04/525474504.db2.gz	RGBIWUMGKKJMDV-IUCAKERBSA-N	0	0	318.351	0.899	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@]2(CCOC2)C1	ZINC000186099446	527086634	/nfs/dbraw/zinc/08/66/34/527086634.db2.gz	CWZABMXENVTLIG-CYBMUJFWSA-N	0	0	310.310	0.118	10	5		DCBERN
O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1	ZINC000130201368	662791608	/nfs/dbraw/zinc/79/16/08/662791608.db2.gz	MNNGOEGKNBXTKB-UONOGXRCSA-N	0	0	317.301	0.814	10	5		DCBERN
Cc1c([N+](=O)[O-])cc(C(=O)N2CCNC(=O)CC2)cc1[N+](=O)[O-]	ZINC000054547640	662924302	/nfs/dbraw/zinc/92/43/02/662924302.db2.gz	PMNLXCAWFCZEDH-UHFFFAOYSA-N	0	0	322.277	0.774	10	5		DCBERN
C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)CC1(C)OCCO1	ZINC000740735032	667750863	/nfs/dbraw/zinc/75/08/63/667750863.db2.gz	GVODYDHCFDILJG-VIFPVBQESA-N	0	0	313.314	0.092	10	5		DCBERN
O=C(CCn1cc([N+](=O)[O-])cn1)OCCN1CCSCC1	ZINC000127435079	668955035	/nfs/dbraw/zinc/95/50/35/668955035.db2.gz	MIRDACXXOOSLDO-UHFFFAOYSA-N	0	0	314.367	0.773	10	5		DCBERN
Nc1c(Cl)cc(C(=O)N[C@@H]2COC[C@H]2O)cc1[N+](=O)[O-]	ZINC000323293897	1190445130	/nfs/dbraw/zinc/44/51/30/1190445130.db2.gz	MLYHBURAWZEGKM-VXNVDRBHSA-N	0	0	301.686	0.320	10	5		DCBERN
Cn1cc([C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)cn1	ZINC000172262085	198067272	/nfs/dbraw/zinc/06/72/72/198067272.db2.gz	ZOBPLNKUWZNYTN-SNVBAGLBSA-N	0	0	304.310	0.541	10	5		DCBERN
C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCN1CCO	ZINC000187274801	200087458	/nfs/dbraw/zinc/08/74/58/200087458.db2.gz	CCIRJJXESPYJHZ-JTQLQIEISA-N	0	0	308.338	0.316	10	5		DCBERN
CS(=O)(=O)N1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1	ZINC000265559920	204700534	/nfs/dbraw/zinc/70/05/34/204700534.db2.gz	SFUBUJNSPHMDSC-UHFFFAOYSA-N	0	0	320.758	0.725	10	5		DCBERN
CN1CCO[C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1	ZINC000108945670	395795312	/nfs/dbraw/zinc/79/53/12/395795312.db2.gz	GESKBBJZLLNBJC-SECBINFHSA-N	0	0	319.321	0.574	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCCO	ZINC000281795553	396240303	/nfs/dbraw/zinc/24/03/03/396240303.db2.gz	CFVQSCYVWKWQCT-UHFFFAOYSA-N	0	0	304.324	0.606	10	5		DCBERN
C[C@@H]1C(=O)NCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000189337431	396394435	/nfs/dbraw/zinc/39/44/35/396394435.db2.gz	UTMBLZMVOSQZIW-SNVBAGLBSA-N	0	0	306.322	0.744	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCc2cc(O)ccc2C1	ZINC000618250329	396940967	/nfs/dbraw/zinc/94/09/67/396940967.db2.gz	WSDPEMNAABBBCS-NSHDSACASA-N	0	0	317.305	0.566	10	5		DCBERN
CCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1=O	ZINC000619801946	397195142	/nfs/dbraw/zinc/19/51/42/397195142.db2.gz	QVBAHQQTCUJJGG-SNVBAGLBSA-N	0	0	307.306	0.954	10	5		DCBERN
COC[C@@](C)(CO)NC(=O)CCOc1ccccc1[N+](=O)[O-]	ZINC000613533803	397274902	/nfs/dbraw/zinc/27/49/02/397274902.db2.gz	GJNYJRMGEMARLT-CQSZACIVSA-N	0	0	312.322	0.877	10	5		DCBERN
O=C(CNc1ccccc1[N+](=O)[O-])N1CC(n2ccnn2)C1	ZINC000378534249	397253743	/nfs/dbraw/zinc/25/37/43/397253743.db2.gz	NYFMWLPCNKSAOP-UHFFFAOYSA-N	0	0	302.294	0.682	10	5		DCBERN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2O)c1	ZINC000599493130	397458169	/nfs/dbraw/zinc/45/81/69/397458169.db2.gz	KBQKXPBZBUNAKU-QWRGUYRKSA-N	0	0	302.308	0.023	10	5		DCBERN
COC[C@@](C)(CO)NCc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000610519001	397829026	/nfs/dbraw/zinc/82/90/26/397829026.db2.gz	TZWMMQJSLCMBIZ-CQSZACIVSA-N	0	0	312.322	0.948	10	5		DCBERN
C[C@@](O)(CO)CNc1ncc([N+](=O)[O-])cc1Br	ZINC000093434225	158120363	/nfs/dbraw/zinc/12/03/63/158120363.db2.gz	XWZZOYGDPBYDRV-VIFPVBQESA-N	0	0	306.116	0.908	10	5		DCBERN
Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN2CCOC[C@@H]2C1	ZINC000367127671	159315792	/nfs/dbraw/zinc/31/57/92/159315792.db2.gz	UVYHQOYSMHGRLY-VIFPVBQESA-N	0	0	324.312	0.473	10	5		DCBERN
CCn1cc(S(=O)(=O)N2CC[C@H](C)[C@H](O)C2)c([N+](=O)[O-])n1	ZINC000408086965	160032371	/nfs/dbraw/zinc/03/23/71/160032371.db2.gz	BCNKNSUWVSYWFQ-DTWKUNHWSA-N	0	0	318.355	0.203	10	5		DCBERN
CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCS1(=O)=O	ZINC000408247903	160069019	/nfs/dbraw/zinc/06/90/19/160069019.db2.gz	ZFSCGBVRTLYJMY-UHFFFAOYSA-N	0	0	301.324	0.572	10	5		DCBERN
CN1CCO[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1	ZINC000170683844	416028625	/nfs/dbraw/zinc/02/86/25/416028625.db2.gz	SGYVGYCRHNIUDS-SECBINFHSA-N	0	0	312.301	0.377	10	5		DCBERN
Cc1nn(C)c(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1[N+](=O)[O-]	ZINC000175161308	416097485	/nfs/dbraw/zinc/09/74/85/416097485.db2.gz	QNWCYVFVAJUVBG-JTQLQIEISA-N	0	0	322.243	0.776	10	5		DCBERN
NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCc2n[nH]cc2C1	ZINC000301303583	416080690	/nfs/dbraw/zinc/08/06/90/416080690.db2.gz	WOZBUFQDVQPXEY-MRVPVSSYSA-N	0	0	302.294	0.781	10	5		DCBERN
NC(=O)[C@@H]1COCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000180273629	416195907	/nfs/dbraw/zinc/19/59/07/416195907.db2.gz	CFSPDSYXWKHYDK-UXONFWTHSA-N	0	0	305.290	0.321	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(CCOC)CCOC)n1	ZINC000191494824	416287192	/nfs/dbraw/zinc/28/71/92/416287192.db2.gz	JMEFEZNBLBVTMW-UHFFFAOYSA-N	0	0	300.315	0.546	10	5		DCBERN
CCN(CC)C(=O)CN(C)C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191759243	416288883	/nfs/dbraw/zinc/28/88/83/416288883.db2.gz	LNCPXRKQFIKCPH-UHFFFAOYSA-N	0	0	311.342	0.752	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC(=O)N(C)C1	ZINC000361160810	416423631	/nfs/dbraw/zinc/42/36/31/416423631.db2.gz	CHJVKVXQNYDQBE-UHFFFAOYSA-N	0	0	306.278	0.100	10	5		DCBERN
NS(=O)(=O)c1cc(NC[C@@H](O)C(F)F)cc([N+](=O)[O-])c1	ZINC000435583568	416526915	/nfs/dbraw/zinc/52/69/15/416526915.db2.gz	HFJCWBMQDOCRTD-MRVPVSSYSA-N	0	0	311.266	0.280	10	5		DCBERN
C[S@](=O)c1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1	ZINC000361876141	416515804	/nfs/dbraw/zinc/51/58/04/416515804.db2.gz	UKYBSUYTZKMOGQ-NRFANRHFSA-N	0	0	309.307	0.562	10	5		DCBERN
CC(=O)N1CC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1	ZINC000556930209	416720466	/nfs/dbraw/zinc/72/04/66/416720466.db2.gz	NVVUJZQTLXAYNA-LBPRGKRZSA-N	0	0	321.333	0.958	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(N(CCO)C3CCOCC3)nn21	ZINC000443997861	416796839	/nfs/dbraw/zinc/79/68/39/416796839.db2.gz	YIKRUDHOQUOBFL-UHFFFAOYSA-N	0	0	307.310	0.615	10	5		DCBERN
C[C@@H]1C[C@@H]1N1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1=O	ZINC000371344522	416914204	/nfs/dbraw/zinc/91/42/04/416914204.db2.gz	NJQHMXNWVLUASN-BBBLOLIVSA-N	0	0	316.321	1.059	10	5		DCBERN
CC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000450573577	417237769	/nfs/dbraw/zinc/23/77/69/417237769.db2.gz	XNNHDDDWYFNFGJ-RISCZKNCSA-N	0	0	308.338	0.816	10	5		DCBERN
CO[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1C	ZINC000188052253	261125977	/nfs/dbraw/zinc/12/59/77/261125977.db2.gz	DRMLUIWYAXFQLT-JQWIXIFHSA-N	0	0	309.322	0.640	10	5		DCBERN
CCS(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000194774447	261148995	/nfs/dbraw/zinc/14/89/95/261148995.db2.gz	RBWURUMAMSWGMJ-UHFFFAOYSA-N	0	0	315.351	0.572	10	5		DCBERN
COC[C@@](C)(NC(=O)Cn1cnc([N+](=O)[O-])n1)C(F)(F)F	ZINC000362202025	262009280	/nfs/dbraw/zinc/00/92/80/262009280.db2.gz	HONVQHMUIMWGNZ-MRVPVSSYSA-N	0	0	311.220	0.270	10	5		DCBERN
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1ncccc1[N+](=O)[O-]	ZINC000362662087	262056901	/nfs/dbraw/zinc/05/69/01/262056901.db2.gz	HHVMSPNOJCWSRP-BDAKNGLRSA-N	0	0	310.310	0.858	10	5		DCBERN
NS(=O)(=O)c1c(NC[C@H](O)C(F)F)cccc1[N+](=O)[O-]	ZINC000516617602	272439685	/nfs/dbraw/zinc/43/96/85/272439685.db2.gz	QMSJKMZUIQKNPY-ZETCQYMHSA-N	0	0	311.266	0.280	10	5		DCBERN
CCOCCN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1	ZINC000105790951	273700062	/nfs/dbraw/zinc/70/00/62/273700062.db2.gz	SZJRUYPVFCSJQW-UHFFFAOYSA-N	0	0	323.353	0.247	10	5		DCBERN
COCCN1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C	ZINC000174734843	274030518	/nfs/dbraw/zinc/03/05/18/274030518.db2.gz	GCMJBIVEUYSWKF-LLVKDONJSA-N	0	0	322.365	0.851	10	5		DCBERN
C[C@@H]1OCC[C@]12CN(C(=O)c1nn(C)cc1[N+](=O)[O-])CCO2	ZINC000548749054	288173316	/nfs/dbraw/zinc/17/33/16/288173316.db2.gz	NDZBJDLULRPOFB-ZANVPECISA-N	0	0	310.310	0.348	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@H](C)O	ZINC000157307754	525472842	/nfs/dbraw/zinc/47/28/42/525472842.db2.gz	RQXVCALJNIAXOW-VIFPVBQESA-N	0	0	318.351	0.995	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC(NC(=O)C2CC2)C1	ZINC000189414017	527089112	/nfs/dbraw/zinc/08/91/12/527089112.db2.gz	SRIQUUXPBLCONT-UHFFFAOYSA-N	0	0	321.337	0.227	10	5		DCBERN
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[C@H]2C1	ZINC000285275511	536479591	/nfs/dbraw/zinc/47/95/91/536479591.db2.gz	AWZLOEYESJWELE-GXTWGEPZSA-N	0	0	321.333	0.846	10	5		DCBERN
CCN1C[C@@H](COC(=O)CCn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000077958609	661447429	/nfs/dbraw/zinc/44/74/29/661447429.db2.gz	KSTKHHJEHCJVGH-JTQLQIEISA-N	0	0	310.310	0.593	10	5		DCBERN
CC[S@@](=O)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000733899786	666824673	/nfs/dbraw/zinc/82/46/73/666824673.db2.gz	OIBMMXSNGMVRNJ-LJQANCHMSA-N	0	0	320.392	0.950	10	5		DCBERN
C[C@@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H](C(N)=O)O1	ZINC000120191927	667275568	/nfs/dbraw/zinc/27/55/68/667275568.db2.gz	NBJXSFXJHJFYLN-RNCFNFMXSA-N	0	0	319.321	0.477	10	5		DCBERN
C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000049560762	1171696180	/nfs/dbraw/zinc/69/61/80/1171696180.db2.gz	GLFUQWQMMYUHQD-SECBINFHSA-N	0	0	317.367	0.919	10	5		DCBERN
Nc1c(Cl)cc(C(=O)NC[C@@H]2COCCO2)cc1[N+](=O)[O-]	ZINC000050705734	1171737372	/nfs/dbraw/zinc/73/73/72/1171737372.db2.gz	VYDWCEONUNDPEA-MRVPVSSYSA-N	0	0	315.713	0.976	10	5		DCBERN
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCc1ncc[nH]1	ZINC000126533677	1177247518	/nfs/dbraw/zinc/24/75/18/1177247518.db2.gz	MIWLLVNJXOVQBK-UHFFFAOYSA-N	0	0	300.271	0.936	10	5		DCBERN
O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@@H](O)[C@H](CO)C1	ZINC000317495328	775086924	/nfs/dbraw/zinc/08/69/24/775086924.db2.gz	SELQAILUROUSDI-GZMMTYOYSA-N	0	0	300.698	0.673	10	5		DCBERN
O=[N+]([O-])c1cc(F)ccc1OC[C@H](O)CN1CCOCC1	ZINC000153893497	237022238	/nfs/dbraw/zinc/02/22/38/237022238.db2.gz	PROYQANVSGWQIE-LLVKDONJSA-N	0	0	300.286	0.806	10	5		DCBERN
Cc1c(CC(=O)N2CCN(CCO)[C@@H](C)C2)cccc1[N+](=O)[O-]	ZINC000188740434	200298590	/nfs/dbraw/zinc/29/85/90/200298590.db2.gz	ZSDWBESTRLULHW-LBPRGKRZSA-N	0	0	321.377	0.971	10	5		DCBERN
Cc1n[nH]c(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1[N+](=O)[O-]	ZINC000266056414	205061554	/nfs/dbraw/zinc/06/15/54/205061554.db2.gz	ZGSAKCXRYIKWFP-VIFPVBQESA-N	0	0	308.216	0.766	10	5		DCBERN
COC(=O)[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000042305952	183252212	/nfs/dbraw/zinc/25/22/12/183252212.db2.gz	YXQNNVZPRZZGTD-SSDOTTSWSA-N	0	0	318.307	0.443	10	5		DCBERN
CNC(=O)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000104358805	194001692	/nfs/dbraw/zinc/00/16/92/194001692.db2.gz	BGBJQCVKRVIYNK-LLVKDONJSA-N	0	0	322.277	0.854	10	5		DCBERN
NS(=O)(=O)c1ccc(N(CCO)C2CCC2)c([N+](=O)[O-])c1	ZINC000276051696	130432082	/nfs/dbraw/zinc/43/20/82/130432082.db2.gz	QOKSECKUPFJHRN-UHFFFAOYSA-N	0	0	315.351	0.593	10	5		DCBERN
COC(CN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-])OC	ZINC000002741741	395681822	/nfs/dbraw/zinc/68/18/22/395681822.db2.gz	JDXLZIAFBQWWTR-UHFFFAOYSA-N	0	0	304.324	0.834	10	5		DCBERN
CCc1nn(C)c(N2CCN([C@H](CC)CO)CC2)c1[N+](=O)[O-]	ZINC000091727930	395727046	/nfs/dbraw/zinc/72/70/46/395727046.db2.gz	RTJSUNLYSLQBTI-LLVKDONJSA-N	0	0	311.386	0.784	10	5		DCBERN
O=C(N[C@H]1CCc2ncnn2C1)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000193579657	395773176	/nfs/dbraw/zinc/77/31/76/395773176.db2.gz	OSBYUKDRUQHVIM-QMMMGPOBSA-N	0	0	304.266	0.032	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN(C)CCO1	ZINC000194628955	395802395	/nfs/dbraw/zinc/80/23/95/395802395.db2.gz	SWQDQRLNSLBCDV-LLVKDONJSA-N	0	0	309.322	0.664	10	5		DCBERN
CC1(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)COC1	ZINC000112618597	395819489	/nfs/dbraw/zinc/81/94/89/395819489.db2.gz	UCWSLUZXFMWLMW-UHFFFAOYSA-N	0	0	317.305	0.942	10	5		DCBERN
CNC(=O)c1cc(N2CCN(CCO)CC2)ccc1[N+](=O)[O-]	ZINC000114407686	395833713	/nfs/dbraw/zinc/83/37/13/395833713.db2.gz	MIMYRXRMKUPYEE-UHFFFAOYSA-N	0	0	308.338	0.069	10	5		DCBERN
O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CN(C2CC2)CCO1	ZINC000115164545	395838454	/nfs/dbraw/zinc/83/84/54/395838454.db2.gz	LWZTUEMTJCJEPZ-CYBMUJFWSA-N	0	0	323.353	0.161	10	5		DCBERN
C[C@@H](O)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000136029983	395943627	/nfs/dbraw/zinc/94/36/27/395943627.db2.gz	URGHVTKJSCZRQR-SECBINFHSA-N	0	0	305.294	0.676	10	5		DCBERN
CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N@+]2([O-])CCC[C@@H]12)[C@@H](C)O	ZINC000253393680	396026498	/nfs/dbraw/zinc/02/64/98/396026498.db2.gz	ZRIYCGOWLRWLAO-VRUQUDLLSA-N	0	0	302.391	0.686	10	5		DCBERN
CC(C)(C)n1cc([N+](=O)[O-])c(C(=O)N2CCNC(=O)C2(C)C)n1	ZINC000167706774	396089732	/nfs/dbraw/zinc/08/97/32/396089732.db2.gz	NGOBGJXWRFSWON-UHFFFAOYSA-N	0	0	323.353	0.897	10	5		DCBERN
O=C(CNc1ccccc1[N+](=O)[O-])NCCCn1ccnn1	ZINC000185000676	396313255	/nfs/dbraw/zinc/31/32/55/396313255.db2.gz	XGAWOXIGZHSWJZ-UHFFFAOYSA-N	0	0	304.310	0.805	10	5		DCBERN
CN(C)c1noc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1	ZINC000184532309	396297572	/nfs/dbraw/zinc/29/75/72/396297572.db2.gz	CKRTVMJRYIMRKE-UHFFFAOYSA-N	0	0	317.261	0.840	10	5		DCBERN
CC(C)C[C@H](CO)N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000185687075	396333477	/nfs/dbraw/zinc/33/34/77/396333477.db2.gz	OBOKJJMZCPKFIY-LLVKDONJSA-N	0	0	313.358	0.840	10	5		DCBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](O)C[C@H]1CO	ZINC000185930796	396337806	/nfs/dbraw/zinc/33/78/06/396337806.db2.gz	ZMZCBADQRMOGPD-DXHQHAPDSA-N	0	0	306.318	0.952	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCOC2)C1	ZINC000186021159	396339120	/nfs/dbraw/zinc/33/91/20/396339120.db2.gz	NPOJAIMCOIBVIP-AWEZNQCLSA-N	0	0	307.306	0.930	10	5		DCBERN
CN1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1=O	ZINC000190384380	396406030	/nfs/dbraw/zinc/40/60/30/396406030.db2.gz	HWAXKQHYXBJKRV-UHFFFAOYSA-N	0	0	306.322	0.697	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(=O)NC(C)(C)C)n1	ZINC000191785311	396425374	/nfs/dbraw/zinc/42/53/74/396425374.db2.gz	PNSURYNPJCZNIN-QMMMGPOBSA-N	0	0	311.342	0.844	10	5		DCBERN
Cn1cc([C@H](O)CNc2ccc([N+](=O)[O-])cc2C(N)=O)cn1	ZINC000301402819	396716466	/nfs/dbraw/zinc/71/64/66/396716466.db2.gz	DIXVIJHAWXWTHZ-GFCCVEGCSA-N	0	0	305.294	0.573	10	5		DCBERN
CCN1CC[C@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1=O	ZINC000619801626	397194923	/nfs/dbraw/zinc/19/49/23/397194923.db2.gz	IOSRXBWTVNTWHW-NSHDSACASA-N	0	0	321.333	0.883	10	5		DCBERN
COC[C@@](C)(CO)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000613534964	397275888	/nfs/dbraw/zinc/27/58/88/397275888.db2.gz	YZDCWAPNBRCICC-CYBMUJFWSA-N	0	0	308.294	0.598	10	5		DCBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1O	ZINC000599493291	397457653	/nfs/dbraw/zinc/45/76/53/397457653.db2.gz	MVGFELYWWHYHHK-PSASIEDQSA-N	0	0	302.308	0.023	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C	ZINC000068217298	158041596	/nfs/dbraw/zinc/04/15/96/158041596.db2.gz	MGYBFTVMJRJCDR-WPRPVWTQSA-N	0	0	309.326	0.212	10	5		DCBERN
O=C1[C@H](N2CCNC(=O)CC2)CCN1c1cccc([N+](=O)[O-])c1	ZINC000109131380	158137041	/nfs/dbraw/zinc/13/70/41/158137041.db2.gz	VISWPPUBZCTRAL-CYBMUJFWSA-N	0	0	318.333	0.522	10	5		DCBERN
Nc1c(C(=O)N[C@H]2CCc3ncnn3C2)cccc1[N+](=O)[O-]	ZINC000176645138	158440299	/nfs/dbraw/zinc/44/02/99/158440299.db2.gz	KIPYXHZWCZZSJD-QMMMGPOBSA-N	0	0	302.294	0.513	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)n1	ZINC000408326622	160085323	/nfs/dbraw/zinc/08/53/23/160085323.db2.gz	NYAHJYSTQDBJRM-IINYFYTJSA-N	0	0	324.337	0.831	10	5		DCBERN
NC(=O)[C@H]1CCC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1	ZINC000132882306	287007570	/nfs/dbraw/zinc/00/75/70/287007570.db2.gz	VKEDNZGIJCZLGX-UWVGGRQHSA-N	0	0	309.326	0.342	10	5		DCBERN
COc1cc2cc3c(=O)nc(C(N)=O)nc-3[nH]c2cc1OC	ZINC000026647871	415166897	/nfs/dbraw/zinc/16/68/97/415166897.db2.gz	DNYNLYNMFPSZMV-UHFFFAOYSA-N	0	0	300.274	1.000	10	5		DCBERN
COc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)ccc1[N+](=O)[O-]	ZINC000112657250	415713176	/nfs/dbraw/zinc/71/31/76/415713176.db2.gz	PIGSEJKTKACXDN-SNVBAGLBSA-N	0	0	317.305	0.940	10	5		DCBERN
Cc1c(CC(=O)N[C@H]2CCC(=O)NC2=O)cccc1[N+](=O)[O-]	ZINC000133918223	415952016	/nfs/dbraw/zinc/95/20/16/415952016.db2.gz	MPUJWGNKTAPJEC-JTQLQIEISA-N	0	0	305.290	0.367	10	5		DCBERN
CN(CCN1CCCC1=O)c1ccc([N+](=O)[O-])cc1C(N)=O	ZINC000301221564	416078782	/nfs/dbraw/zinc/07/87/82/416078782.db2.gz	BRQJZLUEMYCFSO-UHFFFAOYSA-N	0	0	306.322	0.752	10	5		DCBERN
CCOCC[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000174849378	416087466	/nfs/dbraw/zinc/08/74/66/416087466.db2.gz	FOEOWJMBZQXRIK-ZDUSSCGKSA-N	0	0	311.386	0.834	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](OCCO)C1	ZINC000178678066	416169713	/nfs/dbraw/zinc/16/97/13/416169713.db2.gz	OHGXEBCAIZNOID-GFCCVEGCSA-N	0	0	309.322	0.912	10	5		DCBERN
O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CN2CCN1CC2	ZINC000178968561	416178644	/nfs/dbraw/zinc/17/86/44/416178644.db2.gz	YYGMZUNRIUYICA-LBPRGKRZSA-N	0	0	319.365	0.123	10	5		DCBERN
CC[C@H](O)CN1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1	ZINC000183584194	416247279	/nfs/dbraw/zinc/24/72/79/416247279.db2.gz	GHBLKGCFEGZUHA-NSHDSACASA-N	0	0	323.353	0.910	10	5		DCBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@@H]1C(N)=O	ZINC000183691973	416248847	/nfs/dbraw/zinc/24/88/47/416248847.db2.gz	TVLTTWKKPOGWCP-AORWBKJGSA-N	0	0	319.317	0.711	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(NC[C@@H](CO)[C@H]3CCOC3)nn21	ZINC000360276663	416383691	/nfs/dbraw/zinc/38/36/91/416383691.db2.gz	XZQSFUMHYBHGGQ-UWVGGRQHSA-N	0	0	307.310	0.694	10	5		DCBERN
COc1ccc(NC(=O)N(C)Cc2nnnn2C)cc1[N+](=O)[O-]	ZINC000360390797	416388391	/nfs/dbraw/zinc/38/83/91/416388391.db2.gz	TUBLKQLILCLKIR-UHFFFAOYSA-N	0	0	321.297	0.791	10	5		DCBERN
O=C(NCCNc1cc[nH+]cc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436610933	416565337	/nfs/dbraw/zinc/56/53/37/416565337.db2.gz	YCNUJRVVNWKLBI-UHFFFAOYSA-N	0	0	302.290	0.959	10	5		DCBERN
O=C(NCCNc1cc[nH+]cc1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436604141	416564183	/nfs/dbraw/zinc/56/41/83/416564183.db2.gz	NZOBTFIRABPJHQ-UHFFFAOYSA-N	0	0	302.290	0.959	10	5		DCBERN
COC[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(F)cc1	ZINC000437381426	416582509	/nfs/dbraw/zinc/58/25/09/416582509.db2.gz	BOGJHWBFIFEJAH-LLVKDONJSA-N	0	0	323.284	0.829	10	5		DCBERN
CNc1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1[N+](=O)[O-]	ZINC000542672482	416628284	/nfs/dbraw/zinc/62/82/84/416628284.db2.gz	PCVKEUCLGRATBV-GFCCVEGCSA-N	0	0	320.349	0.793	10	5		DCBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2COCCO2)c1	ZINC000443723133	416777822	/nfs/dbraw/zinc/77/78/22/416777822.db2.gz	YOJYVIHNZXCBSM-GFCCVEGCSA-N	0	0	316.335	0.430	10	5		DCBERN
CC(C)n1cc([C@H](C)NC(=O)Cn2cnc([N+](=O)[O-])n2)cn1	ZINC000524282589	417103174	/nfs/dbraw/zinc/10/31/74/417103174.db2.gz	XFKQNRFHXRPSOE-VIFPVBQESA-N	0	0	307.314	0.841	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)n1	ZINC000617408089	417213844	/nfs/dbraw/zinc/21/38/44/417213844.db2.gz	ZTBLXROIAOQGPS-AEJSXWLSSA-N	0	0	321.337	0.550	10	5		DCBERN
NC(=O)C1(CNc2cc(CO)ccc2[N+](=O)[O-])CCOCC1	ZINC000302063484	230073260	/nfs/dbraw/zinc/07/32/60/230073260.db2.gz	SVICNORWCZOWCO-UHFFFAOYSA-N	0	0	309.322	0.781	10	5		DCBERN
Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(CO)c(F)c1	ZINC000179752904	261114165	/nfs/dbraw/zinc/11/41/65/261114165.db2.gz	SRPHIXDZOKDZRX-UHFFFAOYSA-N	0	0	308.269	0.890	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2CCOC[C@@H]2C1	ZINC000363816533	262132029	/nfs/dbraw/zinc/13/20/29/262132029.db2.gz	FKFGWFMBAQBKLA-LBPRGKRZSA-N	0	0	321.333	0.760	10	5		DCBERN
CCn1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])n1	ZINC000435802509	271577214	/nfs/dbraw/zinc/57/72/14/271577214.db2.gz	YSYKXVDTWFPPMU-RKDXNWHRSA-N	0	0	318.355	0.609	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@H](O)Cc2ccccc21	ZINC000447713807	271796735	/nfs/dbraw/zinc/79/67/35/271796735.db2.gz	JKANDSJAGIGTMS-SNVBAGLBSA-N	0	0	303.278	0.137	10	5		DCBERN
C[C@@H](C(=O)N(C)Cc1nnnn1C)c1cccc([N+](=O)[O-])c1	ZINC000520703488	287687487	/nfs/dbraw/zinc/68/74/87/287687487.db2.gz	QHSNBFNYNHEYCX-SECBINFHSA-N	0	0	304.310	0.880	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)NCCc1ccc(F)c(F)c1	ZINC000527303641	287690550	/nfs/dbraw/zinc/69/05/50/287690550.db2.gz	MYWFECRHWBYGAV-UHFFFAOYSA-N	0	0	311.248	0.823	10	5		DCBERN
CC1(C)CNC(=O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000407957888	278349696	/nfs/dbraw/zinc/34/96/96/278349696.db2.gz	PWXFJDGVDSBLFF-UHFFFAOYSA-N	0	0	313.335	0.494	10	5		DCBERN
CCn1nc(C)c([N+](=O)[O-])c1N1CCS(=O)(=O)[C@H](C)C1	ZINC000192610300	281667501	/nfs/dbraw/zinc/66/75/01/281667501.db2.gz	YNIOOLOHVNHHJC-MRVPVSSYSA-N	0	0	302.356	0.743	10	5		DCBERN
CCOC(=O)C(O)=Cc1cc(C2OCCO2)ncc1[N+](=O)[O-]	ZINC000197055094	520402171	/nfs/dbraw/zinc/40/21/71/520402171.db2.gz	OJZFKHWTCIANAD-UHFFFAOYSA-N	0	0	310.262	0.710	10	5		DCBERN
COCC(=O)NC1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000185291487	522760862	/nfs/dbraw/zinc/76/08/62/522760862.db2.gz	KJKWOCUGQPCDQT-UHFFFAOYSA-N	0	0	311.269	0.321	10	5		DCBERN
C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCS1(=O)=O	ZINC000122120652	524533515	/nfs/dbraw/zinc/53/35/15/524533515.db2.gz	AWYCYPVJNLFMJS-QMMMGPOBSA-N	0	0	313.335	0.436	10	5		DCBERN
Cc1sc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1[N+](=O)[O-]	ZINC000152265175	526873338	/nfs/dbraw/zinc/87/33/38/526873338.db2.gz	UZUMISFPZCIHFU-VXNVDRBHSA-N	0	0	313.335	0.727	10	5		DCBERN
Nc1cccc([N+](=O)[O-])c1C(=O)N1CC(NC(=O)C2CCC2)C1	ZINC000189223395	527521513	/nfs/dbraw/zinc/52/15/13/527521513.db2.gz	MDLXAVCGLDOPLX-UHFFFAOYSA-N	0	0	318.333	0.918	10	5		DCBERN
Cn1nccc1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000157117594	664412967	/nfs/dbraw/zinc/41/29/67/664412967.db2.gz	BKZJVHSHYSIVTJ-UHFFFAOYSA-N	0	0	314.298	0.946	10	5		DCBERN
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)C(N)=O	ZINC000156210549	666543277	/nfs/dbraw/zinc/54/32/77/666543277.db2.gz	SBXWLQVTMQSAMW-RXMQYKEDSA-N	0	0	316.111	0.961	10	5		DCBERN
CC[S@@](=O)CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O	ZINC000735076281	666942700	/nfs/dbraw/zinc/94/27/00/666942700.db2.gz	XSGIJCBLWMCBEV-LJQANCHMSA-N	0	0	321.380	0.423	10	5		DCBERN
CCN1C[C@H](COC(=O)CCn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000077958605	669942871	/nfs/dbraw/zinc/94/28/71/669942871.db2.gz	KSTKHHJEHCJVGH-SNVBAGLBSA-N	0	0	310.310	0.593	10	5		DCBERN
COC(=O)C1(O)CN(Cc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000714439746	670189020	/nfs/dbraw/zinc/18/90/20/670189020.db2.gz	QSICWRONLZEPRC-UHFFFAOYSA-N	0	0	300.698	0.968	10	5		DCBERN
NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000157113200	1180558597	/nfs/dbraw/zinc/55/85/97/1180558597.db2.gz	AZLCOTSXDMQWLL-MRVPVSSYSA-N	0	0	317.298	0.372	10	5		DCBERN
CNC(=O)[C@@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC000050709673	770279899	/nfs/dbraw/zinc/27/98/99/770279899.db2.gz	QVOLBTHOJQXPOC-RXMQYKEDSA-N	0	0	300.702	0.695	10	5		DCBERN
O=C(Cn1nnc2ccccc21)NCCn1cc([N+](=O)[O-])cn1	ZINC000166566287	773563689	/nfs/dbraw/zinc/56/36/89/773563689.db2.gz	HNXXXZXDHCIIOX-UHFFFAOYSA-N	0	0	315.293	0.352	10	5		DCBERN
O=C(c1c(Cl)cccc1[N+](=O)[O-])N1C[C@H](CO)[C@H](O)C1	ZINC000317757772	775123589	/nfs/dbraw/zinc/12/35/89/775123589.db2.gz	ZPWIHUFHAYTORQ-GMSGAONNSA-N	0	0	300.698	0.673	10	5		DCBERN
NS(=O)(=O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1	ZINC000705115965	939024332	/nfs/dbraw/zinc/02/43/32/939024332.db2.gz	INJMTEZDMYBCKD-UHFFFAOYSA-N	0	0	300.340	0.675	10	5		DCBERN
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1N1CCOCC1	ZINC000173858648	198261253	/nfs/dbraw/zinc/26/12/53/198261253.db2.gz	OIRVCLWQNJWDBR-MNOVXSKESA-N	0	0	309.322	0.981	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)[C@H](C)CO	ZINC000177792892	198778499	/nfs/dbraw/zinc/77/84/99/198778499.db2.gz	YZERTPRDYNTGOF-NXEZZACHSA-N	0	0	309.322	0.975	10	5		DCBERN
COCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000155529634	291220871	/nfs/dbraw/zinc/22/08/71/291220871.db2.gz	CXLXGQCQTQFVSH-UHFFFAOYSA-N	0	0	323.396	0.513	10	5		DCBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1Cc2ccccc2[C@H]1O	ZINC000185518104	283695785	/nfs/dbraw/zinc/69/57/85/283695785.db2.gz	ZVDFMFSIMABLNB-QWHCGFSZSA-N	0	0	314.301	0.960	10	5		DCBERN
COC(=O)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000298640302	533393510	/nfs/dbraw/zinc/39/35/10/533393510.db2.gz	CXIUFCKNWGUSRH-UHFFFAOYSA-N	0	0	302.308	0.826	10	5		DCBERN
O=C(N[C@H]1CCC(=O)NC1=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000089753398	395714425	/nfs/dbraw/zinc/71/44/25/395714425.db2.gz	ARTIGLJIZSLDJO-VIFPVBQESA-N	0	0	311.681	0.783	10	5		DCBERN
O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCCCCO	ZINC000052125831	395859729	/nfs/dbraw/zinc/85/97/29/395859729.db2.gz	NREGWAWSINZIGC-UHFFFAOYSA-N	0	0	314.319	0.902	10	5		DCBERN
Cc1c(C(=O)N2CC(CO)C2)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000122619527	395888126	/nfs/dbraw/zinc/88/81/26/395888126.db2.gz	YYLIBBCBWTUGBR-UHFFFAOYSA-N	0	0	317.305	0.548	10	5		DCBERN
Cc1nn(C)c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-]	ZINC000247022467	395964855	/nfs/dbraw/zinc/96/48/55/395964855.db2.gz	GDUFZCCEJGVKAA-KOLCDFICSA-N	0	0	307.354	0.945	10	5		DCBERN
CN1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCC1=O	ZINC000150731788	395971791	/nfs/dbraw/zinc/97/17/91/395971791.db2.gz	SRNZCFVDEAPCSZ-JTQLQIEISA-N	0	0	307.306	0.711	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)cc1	ZINC000176748612	396159964	/nfs/dbraw/zinc/15/99/64/396159964.db2.gz	CWQHYJYRJNLDOT-LLVKDONJSA-N	0	0	323.334	1.000	10	5		DCBERN
Cc1sc(C(=O)NC[C@H]2CN3CCN2CC3)cc1[N+](=O)[O-]	ZINC000178604708	396200244	/nfs/dbraw/zinc/20/02/44/396200244.db2.gz	KGABOSZZVKMINO-JTQLQIEISA-N	0	0	310.379	0.694	10	5		DCBERN
Cc1nn(C)c(C)c1CCCNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000180770940	396234734	/nfs/dbraw/zinc/23/47/34/396234734.db2.gz	ZLWVJTQYSKEMMP-UHFFFAOYSA-N	0	0	320.353	0.891	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)[C@H](C)O)CC1	ZINC000183372863	396268254	/nfs/dbraw/zinc/26/82/54/396268254.db2.gz	TXBCOVGZZJEIJM-LBPRGKRZSA-N	0	0	307.350	0.928	10	5		DCBERN
COc1cc(CN2C[C@H](O)C[C@@H]2CO)c([N+](=O)[O-])cc1F	ZINC000184290061	396289217	/nfs/dbraw/zinc/28/92/17/396289217.db2.gz	FVEVTQPLEDDBRU-NXEZZACHSA-N	0	0	300.286	0.670	10	5		DCBERN
CCN(C)C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000185987025	396338161	/nfs/dbraw/zinc/33/81/61/396338161.db2.gz	WCSFKLPBNLSFCM-UHFFFAOYSA-N	0	0	307.353	0.413	10	5		DCBERN
CCN1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1=O	ZINC000190654674	396409861	/nfs/dbraw/zinc/40/98/61/396409861.db2.gz	BPBUNAYPPNLBRU-UHFFFAOYSA-N	0	0	313.335	0.714	10	5		DCBERN
COc1cccc(C(=O)N2CCN(CCO)[C@@H](C)C2)c1[N+](=O)[O-]	ZINC000192909969	396440281	/nfs/dbraw/zinc/44/02/81/396440281.db2.gz	OTGMFEKGZHDRNN-NSHDSACASA-N	0	0	323.349	0.742	10	5		DCBERN
COc1ccc(CN(C)C(=O)Cn2cnc([N+](=O)[O-])n2)cn1	ZINC000610976007	396796462	/nfs/dbraw/zinc/79/64/62/396796462.db2.gz	NBGHZNHFZRHHTM-UHFFFAOYSA-N	0	0	306.282	0.249	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ccc([N+](=O)[O-])c(C)n1	ZINC000596437585	396777355	/nfs/dbraw/zinc/77/73/55/396777355.db2.gz	WXWHDDUICXSGLX-PSASIEDQSA-N	0	0	301.324	0.522	10	5		DCBERN
COc1ccc(CC(=O)NCc2cn(C)nn2)cc1[N+](=O)[O-]	ZINC000611945854	396955982	/nfs/dbraw/zinc/95/59/82/396955982.db2.gz	FHFFKASKTTZVHG-UHFFFAOYSA-N	0	0	305.294	0.591	10	5		DCBERN
O=C1[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CCCN1CCO	ZINC000619745106	397188112	/nfs/dbraw/zinc/18/81/12/397188112.db2.gz	VBZMKIVIVGRIBD-LBPRGKRZSA-N	0	0	320.349	0.958	10	5		DCBERN
CCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C1=O	ZINC000619801779	397195150	/nfs/dbraw/zinc/19/51/50/397195150.db2.gz	OHPQUNXCGOYYMC-LLVKDONJSA-N	0	0	307.306	0.954	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCOC[C@H]2O)cc1	ZINC000599493340	397457598	/nfs/dbraw/zinc/45/75/98/397457598.db2.gz	NMCSZFKLGPLIJE-WDEREUQCSA-N	0	0	302.308	0.023	10	5		DCBERN
CCc1nn(C)c(N[C@@H]2CCCN(CCO)C2=O)c1[N+](=O)[O-]	ZINC000578768549	397482680	/nfs/dbraw/zinc/48/26/80/397482680.db2.gz	COURWKMPMVRAGP-SNVBAGLBSA-N	0	0	311.342	0.286	10	5		DCBERN
Cn1ccnc1CN1CCN(c2c([N+](=O)[O-])ncn2C)CC1	ZINC000604557788	397643898	/nfs/dbraw/zinc/64/38/98/397643898.db2.gz	WXHRQQHIMXIENH-UHFFFAOYSA-N	0	0	305.342	0.384	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1OCCc2ccccc21	ZINC000609580719	397783773	/nfs/dbraw/zinc/78/37/73/397783773.db2.gz	OXXYTUMZUIHUHV-LBPRGKRZSA-N	0	0	317.305	0.617	10	5		DCBERN
Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2C)c([N+](=O)[O-])c1	ZINC000408098732	292175808	/nfs/dbraw/zinc/17/58/08/292175808.db2.gz	GUERDICPOVVNMQ-SECBINFHSA-N	0	0	313.335	0.412	10	5		DCBERN
NC(=O)c1ccc(NC[C@@H]2CN(C3CC3)CCO2)c([N+](=O)[O-])c1	ZINC000066745768	158037682	/nfs/dbraw/zinc/03/76/82/158037682.db2.gz	SIRVUCUFLSJPNG-GFCCVEGCSA-N	0	0	320.349	0.969	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C	ZINC000068575613	158042984	/nfs/dbraw/zinc/04/29/84/158042984.db2.gz	YOZUMKLGZJIVRO-KOLCDFICSA-N	0	0	323.353	0.602	10	5		DCBERN
O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCNC(=O)CC1	ZINC000194960104	158602610	/nfs/dbraw/zinc/60/26/10/158602610.db2.gz	BPQVFCPYUVAQCG-UHFFFAOYSA-N	0	0	303.278	0.433	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000408073312	160029306	/nfs/dbraw/zinc/02/93/06/160029306.db2.gz	PZSUYWMFPANUCY-JTQLQIEISA-N	0	0	321.337	0.793	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@]2(CCCOC2)C1	ZINC000408297404	160079418	/nfs/dbraw/zinc/07/94/18/160079418.db2.gz	JJCKKBOOYAANFP-ZDUSSCGKSA-N	0	0	309.326	0.606	10	5		DCBERN
CCC(=O)N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000268553665	415238994	/nfs/dbraw/zinc/23/89/94/415238994.db2.gz	MYYIPNUKEJTWOY-QMMMGPOBSA-N	0	0	307.310	0.512	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCS(N)(=O)=O	ZINC000044747970	415225127	/nfs/dbraw/zinc/22/51/27/415225127.db2.gz	FFLKUXXXOJSVNE-UHFFFAOYSA-N	0	0	301.324	0.312	10	5		DCBERN
O=[N+]([O-])c1ccc2nc(S(=O)(=O)C[C@@H]3CCC[NH2+]3)[n-]c2c1	ZINC000095092099	415549513	/nfs/dbraw/zinc/54/95/13/415549513.db2.gz	AUHMTMLIKIUROZ-QMMMGPOBSA-N	0	0	310.335	0.997	10	5		DCBERN
O=[N+]([O-])c1ccc2nc(S(=O)(=O)C[C@@H]3CC[NH2+]C3)[n-]c2c1	ZINC000095092103	415549589	/nfs/dbraw/zinc/54/95/89/415549589.db2.gz	ZZWJYIZCPNUKKV-MRVPVSSYSA-N	0	0	310.335	0.854	10	5		DCBERN
CN1CCO[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@@H]21	ZINC000124289371	415849863	/nfs/dbraw/zinc/84/98/63/415849863.db2.gz	FNGUJCWBXMLHIE-RYUDHWBXSA-N	0	0	324.312	0.471	10	5		DCBERN
O=C(N[C@H]1CCC(=O)NC1=O)c1cc(Cl)cc([N+](=O)[O-])c1	ZINC000155339946	415996213	/nfs/dbraw/zinc/99/62/13/415996213.db2.gz	COJNJKCARSFQNS-VIFPVBQESA-N	0	0	311.681	0.783	10	5		DCBERN
Cc1nnc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)[nH]1	ZINC000173528050	416060775	/nfs/dbraw/zinc/06/07/75/416060775.db2.gz	ACEGOEDUSLRWSL-VIFPVBQESA-N	0	0	307.266	0.828	10	5		DCBERN
CC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC	ZINC000174849457	416087683	/nfs/dbraw/zinc/08/76/83/416087683.db2.gz	VXSAFVVMHWPKMH-ZDUSSCGKSA-N	0	0	311.386	0.834	10	5		DCBERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000176665144	416131675	/nfs/dbraw/zinc/13/16/75/416131675.db2.gz	FFESTFDLSATVPK-SNVBAGLBSA-N	0	0	319.325	0.597	10	5		DCBERN
CNC(=O)[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)C	ZINC000178586178	416165904	/nfs/dbraw/zinc/16/59/04/416165904.db2.gz	YMDZDDFOONTDAN-NSHDSACASA-N	0	0	319.321	0.972	10	5		DCBERN
C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1nnc2n1CCCC2	ZINC000178606427	416166024	/nfs/dbraw/zinc/16/60/24/416166024.db2.gz	FDFSWEUXWODDLI-SECBINFHSA-N	0	0	319.325	0.597	10	5		DCBERN
CCO[C@@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1OC	ZINC000362677641	416570901	/nfs/dbraw/zinc/57/09/01/416570901.db2.gz	ZIELDCNUXHPFKR-RWEMILLDSA-N	0	0	307.310	1.242	10	5		DCBERN
NC(=O)N[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1	ZINC000444660251	416858486	/nfs/dbraw/zinc/85/84/86/416858486.db2.gz	JCWOUVJVPVUPCO-QMMMGPOBSA-N	0	0	304.310	0.714	10	5		DCBERN
COC(=O)c1cc(C)nc(N2C[C@@H](O)[C@H](OC)C2)c1[N+](=O)[O-]	ZINC000450825587	417275192	/nfs/dbraw/zinc/27/51/92/417275192.db2.gz	YGTIYCWXKFBGOX-NXEZZACHSA-N	0	0	311.294	0.281	10	5		DCBERN
C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H](C(N)=O)O1	ZINC000157569745	296919893	/nfs/dbraw/zinc/91/98/93/296919893.db2.gz	FAWXNKGFHSOAQY-RDDDGLTNSA-N	0	0	311.269	0.449	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)NCc1c(F)cc(F)cc1F	ZINC000357999616	261614301	/nfs/dbraw/zinc/61/43/01/261614301.db2.gz	ANSCGLPBTYRMBZ-UHFFFAOYSA-N	0	0	315.211	0.920	10	5		DCBERN
Cc1cccc2c1OC[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C2	ZINC000362189349	262007212	/nfs/dbraw/zinc/00/72/12/262007212.db2.gz	WPUNVKMWYXUJNF-LLVKDONJSA-N	0	0	317.305	0.615	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1	ZINC000362364149	262026807	/nfs/dbraw/zinc/02/68/07/262026807.db2.gz	SSHXQQZGWFZLNB-JQWIXIFHSA-N	0	0	321.337	0.746	10	5		DCBERN
O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN2CCOC[C@@H]2C1	ZINC000363854866	262135211	/nfs/dbraw/zinc/13/52/11/262135211.db2.gz	ALAXHXUHIUSTRS-NSHDSACASA-N	0	0	309.297	0.891	10	5		DCBERN
CN(Cc1cnccn1)c1cccc([N+](=O)[O-])c1S(N)(=O)=O	ZINC000538095238	287875169	/nfs/dbraw/zinc/87/51/69/287875169.db2.gz	HEMXANJWODVGPT-UHFFFAOYSA-N	0	0	323.334	0.669	10	5		DCBERN
CC(C)(C)OC(=O)Cc1noc(Cn2cnc([N+](=O)[O-])n2)n1	ZINC000545185223	287987477	/nfs/dbraw/zinc/98/74/77/287987477.db2.gz	SUZQIZVEJLOWAQ-UHFFFAOYSA-N	0	0	310.270	0.502	10	5		DCBERN
Cc1nn(C)c2c1N(C(=O)c1nn(C)cc1[N+](=O)[O-])CCO2	ZINC000408155157	279203199	/nfs/dbraw/zinc/20/31/99/279203199.db2.gz	PKHWLIFXPYNELF-UHFFFAOYSA-N	0	0	306.282	0.409	10	5		DCBERN
C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[S@@](=O)C1	ZINC000373019404	279884170	/nfs/dbraw/zinc/88/41/70/279884170.db2.gz	NTEKNYWHJSBGPL-JLTPVHFHSA-N	0	0	309.351	0.842	10	5		DCBERN
C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[S@@](=O)C1	ZINC000373019401	288263751	/nfs/dbraw/zinc/26/37/51/288263751.db2.gz	NTEKNYWHJSBGPL-AOUSDQRYSA-N	0	0	309.351	0.842	10	5		DCBERN
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)[C@H]2C1	ZINC000285716776	290236096	/nfs/dbraw/zinc/23/60/96/290236096.db2.gz	JOBWVLSVIFBZKT-GXTWGEPZSA-N	0	0	321.333	0.846	10	5		DCBERN
Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)S(N)(=O)=O	ZINC000398258699	337310435	/nfs/dbraw/zinc/31/04/35/337310435.db2.gz	SWLMVRHFVZUVTN-QMMMGPOBSA-N	0	0	301.324	0.310	10	5		DCBERN
Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CO)cc1[N+](=O)[O-]	ZINC000120937646	524996310	/nfs/dbraw/zinc/99/63/10/524996310.db2.gz	KSHNSIFCXVNFIG-NSHDSACASA-N	0	0	307.306	0.825	10	5		DCBERN
COc1ccc(S(=O)(=O)NC[C@H](O)C(C)C)cc1[N+](=O)[O-]	ZINC000158846947	525063479	/nfs/dbraw/zinc/06/34/79/525063479.db2.gz	MZWZHPDSTIBVIT-NSHDSACASA-N	0	0	318.351	0.899	10	5		DCBERN
COCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1	ZINC000456387860	536703709	/nfs/dbraw/zinc/70/37/09/536703709.db2.gz	LAHAKHHTISIVAD-UHFFFAOYSA-N	0	0	305.294	0.866	10	5		DCBERN
CCN(CC(=O)OC)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	ZINC000728708766	662413082	/nfs/dbraw/zinc/41/30/82/662413082.db2.gz	GJVYENSGMDOFTQ-UHFFFAOYSA-N	0	0	321.289	0.643	10	5		DCBERN
O=C([C@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1)N1CCOCC1	ZINC000054447911	662766508	/nfs/dbraw/zinc/76/65/08/662766508.db2.gz	NRNZBMRJHQLJSS-LBPRGKRZSA-N	0	0	323.353	0.320	10	5		DCBERN
O=C1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CCN1	ZINC000054454053	662767676	/nfs/dbraw/zinc/76/76/76/662767676.db2.gz	BPBKVCPDFSYUDJ-UHFFFAOYSA-N	0	0	316.321	0.633	10	5		DCBERN
Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)NC(N)=O	ZINC000064332446	662779645	/nfs/dbraw/zinc/77/96/45/662779645.db2.gz	AZPUUFINSRYQRA-UHFFFAOYSA-N	0	0	306.076	0.057	10	5		DCBERN
Cc1c(C(=O)N2CCNC(=O)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000054547409	662922911	/nfs/dbraw/zinc/92/29/11/662922911.db2.gz	LWXSCJOJJUFSAD-UHFFFAOYSA-N	0	0	322.277	0.774	10	5		DCBERN
O=[N+]([O-])c1ccc(OC[C@H](O)CN2CCOCC2)cc1F	ZINC000154185381	665093964	/nfs/dbraw/zinc/09/39/64/665093964.db2.gz	RYDKOWQRRCCQTG-SNVBAGLBSA-N	0	0	300.286	0.806	10	5		DCBERN
CC[S@@](=O)CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O	ZINC000735075913	666942712	/nfs/dbraw/zinc/94/27/12/666942712.db2.gz	PRVBCSAJDXFNAG-LJQANCHMSA-N	0	0	321.380	0.423	10	5		DCBERN
COc1ccnc(N2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)n1	ZINC000098051723	685113900	/nfs/dbraw/zinc/11/39/00/685113900.db2.gz	FXBMODXPBFUNRH-UHFFFAOYSA-N	0	0	319.325	0.370	10	5		DCBERN
CCS(=O)(=O)CCNC(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000714041961	941413500	/nfs/dbraw/zinc/41/35/00/941413500.db2.gz	UFZYGNDXCWDUKC-UHFFFAOYSA-N	0	0	304.299	0.898	10	5		DCBERN
CS(=O)(=O)NCCNC(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000714041104	941413551	/nfs/dbraw/zinc/41/35/51/941413551.db2.gz	MQSVAVSZFRDYDA-UHFFFAOYSA-N	0	0	305.287	0.013	10	5		DCBERN
C[C@@H](CO)N(C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	ZINC000183313067	199572905	/nfs/dbraw/zinc/57/29/05/199572905.db2.gz	QOIAPYFKQDDAFA-ZANVPECISA-N	0	0	307.306	0.927	10	5		DCBERN
Cn1cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)ccc1=O	ZINC000178394317	198859817	/nfs/dbraw/zinc/85/98/17/198859817.db2.gz	LOTHKBZVDWEOQB-UHFFFAOYSA-N	0	0	306.282	0.312	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)n1	ZINC000191775965	237453120	/nfs/dbraw/zinc/45/31/20/237453120.db2.gz	MFFHZMQJRCVPKU-IUCAKERBSA-N	0	0	309.326	0.537	10	5		DCBERN
Cn1ncc([N+](=O)[O-])c1C(=O)NCCNC(=O)c1ccccc1	ZINC000160961932	291239770	/nfs/dbraw/zinc/23/97/70/291239770.db2.gz	FJVXFBIXCBAZIW-UHFFFAOYSA-N	0	0	317.305	0.488	10	5		DCBERN
Cc1ccn2ncc(C(=O)NCCn3cc([N+](=O)[O-])cn3)c2n1	ZINC000164409275	291247685	/nfs/dbraw/zinc/24/76/85/291247685.db2.gz	KMRXMHYGEAPSPG-UHFFFAOYSA-N	0	0	315.293	0.572	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)CCO	ZINC000097444990	395758007	/nfs/dbraw/zinc/75/80/07/395758007.db2.gz	MPOAPCTUOSGDGR-VIFPVBQESA-N	0	0	318.351	0.900	10	5		DCBERN
CCOC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O	ZINC000052125694	395859754	/nfs/dbraw/zinc/85/97/54/395859754.db2.gz	ZOBDKXDZZXGWKJ-UHFFFAOYSA-N	0	0	314.275	0.302	10	5		DCBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)NCCO	ZINC000273296975	395912349	/nfs/dbraw/zinc/91/23/49/395912349.db2.gz	DPDQBBSKEPUJCS-NTMALXAHSA-N	0	0	307.306	0.223	10	5		DCBERN
C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cnc1N)[S@@](C)=O	ZINC000227887942	395870615	/nfs/dbraw/zinc/87/06/15/395870615.db2.gz	YTPOXEFPXLZWCM-SVWIBVJCSA-N	0	0	300.340	0.459	10	5		DCBERN
COCc1nc2cc3c(cc2c(=O)[nH]1)nc(COC)[nH]c3=O	ZINC000137739534	395951727	/nfs/dbraw/zinc/95/17/27/395951727.db2.gz	RYRAGLMRWXXHOP-UHFFFAOYSA-N	0	0	302.290	0.452	10	5		DCBERN
C[C@H](O)CN1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1C	ZINC000248397962	395986219	/nfs/dbraw/zinc/98/62/19/395986219.db2.gz	IMZHSVSCMDNXPV-MNOVXSKESA-N	0	0	323.353	0.909	10	5		DCBERN
Cc1sc(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1[N+](=O)[O-]	ZINC000152265073	396004370	/nfs/dbraw/zinc/00/43/70/396004370.db2.gz	UZUMISFPZCIHFU-IONNQARKSA-N	0	0	313.335	0.727	10	5		DCBERN
O=C(NCCCn1ccnn1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000181779117	396242381	/nfs/dbraw/zinc/24/23/81/396242381.db2.gz	BJHZILYVKNQUFF-UHFFFAOYSA-N	0	0	318.293	0.331	10	5		DCBERN
O=C(COc1ccc([N+](=O)[O-])cc1)NCCCn1ccnn1	ZINC000182963608	396257564	/nfs/dbraw/zinc/25/75/64/396257564.db2.gz	KCFKTQFSLCJXFQ-UHFFFAOYSA-N	0	0	305.294	0.772	10	5		DCBERN
COc1cc(Cn2nc(C(N)=O)ccc2=O)c([N+](=O)[O-])cc1F	ZINC000183855210	396276436	/nfs/dbraw/zinc/27/64/36/396276436.db2.gz	GCVMODNIYBRQGP-UHFFFAOYSA-N	0	0	322.252	0.446	10	5		DCBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN(C2CC2)CCO1	ZINC000184559116	396298744	/nfs/dbraw/zinc/29/87/44/396298744.db2.gz	NEUUUVKUVRPCOH-NSHDSACASA-N	0	0	321.337	0.165	10	5		DCBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1O	ZINC000185518121	396329265	/nfs/dbraw/zinc/32/92/65/396329265.db2.gz	ZVDFMFSIMABLNB-CHWSQXEVSA-N	0	0	314.301	0.960	10	5		DCBERN
CCOc1cc(N2CC(NC(=O)COC)C2)ccc1[N+](=O)[O-]	ZINC000185918166	396337206	/nfs/dbraw/zinc/33/72/06/396337206.db2.gz	ZWKSWGSHHFJNAV-UHFFFAOYSA-N	0	0	309.322	0.945	10	5		DCBERN
C[C@@H]1C(=O)NCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000188068238	396378319	/nfs/dbraw/zinc/37/83/19/396378319.db2.gz	ONKIKSBQKPUGJP-MRVPVSSYSA-N	0	0	322.277	0.854	10	5		DCBERN
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN2CCOC[C@H]2C1	ZINC000371869195	396479036	/nfs/dbraw/zinc/47/90/36/396479036.db2.gz	DWDXTVLVSIVQFI-CQSZACIVSA-N	0	0	305.334	0.680	10	5		DCBERN
CC[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(N)=O	ZINC000292435980	396549697	/nfs/dbraw/zinc/54/96/97/396549697.db2.gz	VGMKFOJTDUIJJD-MRVPVSSYSA-N	0	0	301.324	0.674	10	5		DCBERN
Cc1ccc(S(=O)(=O)NC2CC(CO)C2)cc1[N+](=O)[O-]	ZINC000595400859	396602925	/nfs/dbraw/zinc/60/29/25/396602925.db2.gz	PJFFMQLCOJCFSZ-UHFFFAOYSA-N	0	0	300.336	0.952	10	5		DCBERN
C[C@H]1CCOCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000375004760	396703795	/nfs/dbraw/zinc/70/37/95/396703795.db2.gz	LBVZIIIOAWJOLN-NSHDSACASA-N	0	0	321.333	0.962	10	5		DCBERN
CC(=O)N1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000589102037	396704030	/nfs/dbraw/zinc/70/40/30/396704030.db2.gz	VWYZPHBNEFSBKA-VIFPVBQESA-N	0	0	307.310	0.369	10	5		DCBERN
Cc1nc(N2CCN(S(C)(=O)=O)[C@H](C)C2)ccc1[N+](=O)[O-]	ZINC000596479337	396783543	/nfs/dbraw/zinc/78/35/43/396783543.db2.gz	QXGITVCWSWPCMX-SECBINFHSA-N	0	0	314.367	0.768	10	5		DCBERN
CC(=O)N1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1	ZINC000590374748	396763878	/nfs/dbraw/zinc/76/38/78/396763878.db2.gz	HOQLEGDNRHCEET-VIFPVBQESA-N	0	0	308.294	0.294	10	5		DCBERN
Cn1cc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])nn1	ZINC000611931084	396950344	/nfs/dbraw/zinc/95/03/44/396950344.db2.gz	QXRNSBLMXFJBCE-UHFFFAOYSA-N	0	0	317.352	0.800	10	5		DCBERN
Cn1cc(CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)nn1	ZINC000611941157	396952685	/nfs/dbraw/zinc/95/26/85/396952685.db2.gz	ARAZYJHPNCVSPP-UHFFFAOYSA-N	0	0	319.325	0.635	10	5		DCBERN
COC(=O)c1cc(C(=O)NCc2cn(C)nn2)cc([N+](=O)[O-])c1	ZINC000611946136	396955602	/nfs/dbraw/zinc/95/56/02/396955602.db2.gz	QCPLQBPALWWYRI-UHFFFAOYSA-N	0	0	319.277	0.440	10	5		DCBERN
C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC(=O)N1C	ZINC000407970330	397341719	/nfs/dbraw/zinc/34/17/19/397341719.db2.gz	KZJRHNZRHMGANR-SECBINFHSA-N	0	0	309.326	0.216	10	5		DCBERN
CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@H](CC(N)=O)C1	ZINC000599186942	397356730	/nfs/dbraw/zinc/35/67/30/397356730.db2.gz	LHVQHOWDLMPLHF-LLVKDONJSA-N	0	0	307.306	0.878	10	5		DCBERN
C[C@](O)(CO)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000090287829	158102826	/nfs/dbraw/zinc/10/28/26/158102826.db2.gz	MTUWVALXMDURJP-LLVKDONJSA-N	0	0	304.324	0.154	10	5		DCBERN
O=C(NC[C@H]1CN2CCN1CC2)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000090698548	158105067	/nfs/dbraw/zinc/10/50/67/158105067.db2.gz	UKZZZCOQJKATJG-NSHDSACASA-N	0	0	324.768	0.978	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C(=O)N(C)C	ZINC000122754284	158223796	/nfs/dbraw/zinc/22/37/96/158223796.db2.gz	HMNQAWLKTLLLER-LBPRGKRZSA-N	0	0	306.322	0.991	10	5		DCBERN
Cc1nn(C)c(C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)c1[N+](=O)[O-]	ZINC000172356698	158394313	/nfs/dbraw/zinc/39/43/13/158394313.db2.gz	ISLUILDOEWNZAK-HWYHXSKPSA-N	0	0	308.338	0.870	10	5		DCBERN
C[C@H]1C(=O)NCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000191761455	158570909	/nfs/dbraw/zinc/57/09/09/158570909.db2.gz	YVEGCKUZUJPWTI-JTQLQIEISA-N	0	0	307.306	0.711	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)CC[C@H]2C1	ZINC000408047128	160023025	/nfs/dbraw/zinc/02/30/25/160023025.db2.gz	ZGFYZUXXYSFDQP-JTQLQIEISA-N	0	0	304.306	0.745	10	5		DCBERN
CC(=O)N1CCC[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000408139908	160046085	/nfs/dbraw/zinc/04/60/85/160046085.db2.gz	PSOOIXVXMIEHLQ-AWEZNQCLSA-N	0	0	318.333	0.885	10	5		DCBERN
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CCS1(=O)=O	ZINC000408197276	160057344	/nfs/dbraw/zinc/05/73/44/160057344.db2.gz	HSPTVOYUPASEOF-QMMMGPOBSA-N	0	0	301.324	0.192	10	5		DCBERN
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1N1CCOCC1	ZINC000408231192	160064904	/nfs/dbraw/zinc/06/49/04/160064904.db2.gz	GJPXTJHUKOZKJA-DGCLKSJQSA-N	0	0	322.365	0.726	10	5		DCBERN
CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@]2(CCOC2)O1	ZINC000408326012	160085306	/nfs/dbraw/zinc/08/53/06/160085306.db2.gz	HUWGCFFVVGJXND-HZMBPMFUSA-N	0	0	324.337	0.738	10	5		DCBERN
C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)S1=O	ZINC000408343357	160088382	/nfs/dbraw/zinc/08/83/82/160088382.db2.gz	PCGDANYRKKNRTK-HTQZYQBOSA-N	0	0	300.340	0.310	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)n1	ZINC000408377003	160095225	/nfs/dbraw/zinc/09/52/25/160095225.db2.gz	YVHCUTXLPQFGAG-ONGXEEELSA-N	0	0	322.321	0.539	10	5		DCBERN
C[C@@H]1C(=O)NCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000189294741	287180170	/nfs/dbraw/zinc/18/01/70/287180170.db2.gz	GRIQEGGIPKZHCX-SECBINFHSA-N	0	0	306.322	0.404	10	5		DCBERN
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CCS1(=O)=O	ZINC000121828899	415820146	/nfs/dbraw/zinc/82/01/46/415820146.db2.gz	NODQRZIESKDZBT-QMMMGPOBSA-N	0	0	316.310	0.993	10	5		DCBERN
Cc1c(CC(=O)N[C@@H]2CCC(=O)NC2=O)cccc1[N+](=O)[O-]	ZINC000133918013	415951288	/nfs/dbraw/zinc/95/12/88/415951288.db2.gz	MPUJWGNKTAPJEC-SNVBAGLBSA-N	0	0	305.290	0.367	10	5		DCBERN
CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(N)=O)CC1	ZINC000301164426	416076413	/nfs/dbraw/zinc/07/64/13/416076413.db2.gz	IEBQSNKYOYZPIN-UHFFFAOYSA-N	0	0	306.322	0.752	10	5		DCBERN
COc1ccc(S(=O)(=O)NC[C@@H](O)C(C)C)cc1[N+](=O)[O-]	ZINC000158846811	416003369	/nfs/dbraw/zinc/00/33/69/416003369.db2.gz	MZWZHPDSTIBVIT-LLVKDONJSA-N	0	0	318.351	0.899	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@@H](CO)C2)c(F)c1	ZINC000167698919	416023322	/nfs/dbraw/zinc/02/33/22/416023322.db2.gz	CPMMNWSZXFVNCW-SECBINFHSA-N	0	0	320.298	0.116	10	5		DCBERN
CCOc1ccc(C(=O)N[C@@H]2CCN(C(N)=O)C2)cc1[N+](=O)[O-]	ZINC000357638675	416109804	/nfs/dbraw/zinc/10/98/04/416109804.db2.gz	LIKYPIDNPKEYJQ-SNVBAGLBSA-N	0	0	322.321	0.876	10	5		DCBERN
CO[C@@H]1CC[C@@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1	ZINC000179298142	416185407	/nfs/dbraw/zinc/18/54/07/416185407.db2.gz	RMWBVYHBLUPGPL-UPJWGTAASA-N	0	0	324.337	0.586	10	5		DCBERN
Cc1nn(C)c(C)c1CCNC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000194196007	416322239	/nfs/dbraw/zinc/32/22/39/416322239.db2.gz	HEKFSTNZKUNKGD-UHFFFAOYSA-N	0	0	306.326	0.501	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)n1	ZINC000191837175	416290805	/nfs/dbraw/zinc/29/08/05/416290805.db2.gz	BIUZXWLTDWJHSR-QMMMGPOBSA-N	0	0	307.310	0.304	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H](O)C(F)(F)F)n1	ZINC000191883954	416292153	/nfs/dbraw/zinc/29/21/53/416292153.db2.gz	AEYABBXQLUEXLT-ZETCQYMHSA-N	0	0	310.232	0.806	10	5		DCBERN
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@H]2CCCC[C@@H]21	ZINC000263643376	416338318	/nfs/dbraw/zinc/33/83/18/416338318.db2.gz	DFIYADZRVDBCDT-WCQYABFASA-N	0	0	321.333	0.927	10	5		DCBERN
CCS(=O)(=O)C1(CNc2ccc(N)c([N+](=O)[O-])n2)CC1	ZINC000596521282	416582460	/nfs/dbraw/zinc/58/24/60/416582460.db2.gz	OMDWZJNHWNKNNS-UHFFFAOYSA-N	0	0	300.340	0.951	10	5		DCBERN
C[C@@H](O)CN(Cc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000531085858	417604838	/nfs/dbraw/zinc/60/48/38/417604838.db2.gz	CDFPFPHAKUOVEA-LLVKDONJSA-N	0	0	319.321	0.596	10	5		DCBERN
COc1cccc(C(=O)N2CC(NC(=O)C3CC3)C2)c1[N+](=O)[O-]	ZINC000192908969	261139416	/nfs/dbraw/zinc/13/94/16/261139416.db2.gz	ROMAABCIYOUHLK-UHFFFAOYSA-N	0	0	319.317	0.954	10	5		DCBERN
CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])cn1	ZINC000362656049	262056456	/nfs/dbraw/zinc/05/64/56/262056456.db2.gz	KHJKJOKQDFMAAN-DTWKUNHWSA-N	0	0	310.310	0.858	10	5		DCBERN
CCC(=O)N[C@@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1	ZINC000359044257	271093481	/nfs/dbraw/zinc/09/34/81/271093481.db2.gz	XOXCRWBFGBCVBQ-SNVBAGLBSA-N	0	0	321.337	0.934	10	5		DCBERN
CCC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1	ZINC000445177499	271745944	/nfs/dbraw/zinc/74/59/44/271745944.db2.gz	GUSYYGNKFAKYRK-SNVBAGLBSA-N	0	0	322.321	0.826	10	5		DCBERN
CCC(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1	ZINC000445177498	271746271	/nfs/dbraw/zinc/74/62/71/271746271.db2.gz	GUSYYGNKFAKYRK-JTQLQIEISA-N	0	0	322.321	0.826	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1C[C@H]1c1ccc(F)cc1	ZINC000447774024	271801370	/nfs/dbraw/zinc/80/13/70/271801370.db2.gz	YACDWDARCCDAIP-WDEREUQCSA-N	0	0	305.269	0.998	10	5		DCBERN
O=C(NCCCc1nnc2ccccn21)c1c[nH]nc1[N+](=O)[O-]	ZINC000549186219	288194311	/nfs/dbraw/zinc/19/43/11/288194311.db2.gz	VUPRFQFDFGDZBS-UHFFFAOYSA-N	0	0	315.293	0.723	10	5		DCBERN
O=C1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1	ZINC000054257710	280254479	/nfs/dbraw/zinc/25/44/79/280254479.db2.gz	RSYUYMWZIYXHML-UHFFFAOYSA-N	0	0	307.306	0.783	10	5		DCBERN
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])[C@H]2C1	ZINC000285828628	290236153	/nfs/dbraw/zinc/23/61/53/290236153.db2.gz	PHFVZQQGDRBYMD-QWHCGFSZSA-N	0	0	321.333	0.846	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCN1CCCC1=O	ZINC000125666206	302645192	/nfs/dbraw/zinc/64/51/92/302645192.db2.gz	OGXIOWOORUPBLL-UHFFFAOYSA-N	0	0	323.353	0.619	10	5		DCBERN
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCO[C@@H](CO)C1	ZINC000157661106	304797917	/nfs/dbraw/zinc/79/79/17/304797917.db2.gz	XQDXTYBCBAIQOB-MRVPVSSYSA-N	0	0	320.298	0.116	10	5		DCBERN
CC(=O)NC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1	ZINC000188545940	519649629	/nfs/dbraw/zinc/64/96/29/519649629.db2.gz	KKPVMGANZMAUOQ-UHFFFAOYSA-N	0	0	317.298	0.243	10	5		DCBERN
COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000189863759	523813166	/nfs/dbraw/zinc/81/31/66/523813166.db2.gz	TZHCAUZPGXLIKA-CDMKHQONSA-N	0	0	322.321	0.591	10	5		DCBERN
Cc1cc(C(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)[nH]n1	ZINC000130091450	524125533	/nfs/dbraw/zinc/12/55/33/524125533.db2.gz	NZIXKVDDNXGYGQ-QWHCGFSZSA-N	0	0	320.305	0.451	10	5		DCBERN
Cc1cc(C(=O)N[C@@H]2CCC(=O)N(C)C2)c(N)c([N+](=O)[O-])c1	ZINC000132335125	524127305	/nfs/dbraw/zinc/12/73/05/524127305.db2.gz	YEUDOITXWJVMNQ-SECBINFHSA-N	0	0	306.322	0.836	10	5		DCBERN
O=[N+]([O-])c1ccc(CO)cc1N1CC[C@H](N2CCOCC2)C1	ZINC000302034061	534881841	/nfs/dbraw/zinc/88/18/41/534881841.db2.gz	LEMLGZLSSLYHCF-ZDUSSCGKSA-N	0	0	307.350	0.998	10	5		DCBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2n[nH]cc21	ZINC000164427386	526467567	/nfs/dbraw/zinc/46/75/67/526467567.db2.gz	XVLOIOMIAUZYHM-JTQLQIEISA-N	0	0	304.310	0.751	10	5		DCBERN
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC(NC(=O)C2CCC2)C1	ZINC000189968011	527502807	/nfs/dbraw/zinc/50/28/07/527502807.db2.gz	GGPFFGNXZZCYDT-UHFFFAOYSA-N	0	0	318.333	0.918	10	5		DCBERN
COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)O)c([N+](=O)[O-])c1	ZINC000344920371	663080918	/nfs/dbraw/zinc/08/09/18/663080918.db2.gz	PLQONIQZNPAFTJ-JGVFFNPUSA-N	0	0	304.324	0.651	10	5		DCBERN
CC[S@@](=O)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC000742657432	667796480	/nfs/dbraw/zinc/79/64/80/667796480.db2.gz	CBJUIPITECDWKA-OAQYLSRUSA-N	0	0	313.379	0.916	10	5		DCBERN
O=[N+]([O-])c1ccc(NCCS(=O)(=O)N2CCCC2)nc1	ZINC000721851718	944937369	/nfs/dbraw/zinc/93/73/69/944937369.db2.gz	CCPGGXJWDJZSNG-UHFFFAOYSA-N	0	0	300.340	0.827	10	5		DCBERN
Cc1c(C(=O)NCCn2cnccc2=O)cccc1[N+](=O)[O-]	ZINC000585238178	947836805	/nfs/dbraw/zinc/83/68/05/947836805.db2.gz	RINISPOWHPAVSC-UHFFFAOYSA-N	0	0	302.290	0.890	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@@](O)(C(F)(F)F)C1	ZINC000156769255	296187283	/nfs/dbraw/zinc/18/72/83/296187283.db2.gz	QQIGOEZIIIRNHK-JTQLQIEISA-N	0	0	321.211	0.835	10	5		DCBERN
Cc1cnc(N2CC[C@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])c1	ZINC000266206958	220470315	/nfs/dbraw/zinc/47/03/15/220470315.db2.gz	LEXWGABLXSQNIC-VIFPVBQESA-N	0	0	300.340	0.426	10	5		DCBERN
Cc1n[nH]c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-]	ZINC000285623725	131186978	/nfs/dbraw/zinc/18/69/78/131186978.db2.gz	DPIOVDNPRGHCKY-UWVGGRQHSA-N	0	0	309.326	0.171	10	5		DCBERN
C[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)[C@@H](O)[C@H](O)[C@H]1O	ZINC000044019556	395754935	/nfs/dbraw/zinc/75/49/35/395754935.db2.gz	QURSGHQPKUXLAD-DETLFLRZSA-N	0	0	319.697	0.455	10	5		DCBERN
CN1CCO[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000194723845	395805938	/nfs/dbraw/zinc/80/59/38/395805938.db2.gz	YHCORCBUEIVMKN-CYBMUJFWSA-N	0	0	309.322	0.420	10	5		DCBERN
COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3ncnn3C2)c1	ZINC000112648098	395820241	/nfs/dbraw/zinc/82/02/41/395820241.db2.gz	GUVSGCXCOPOTLL-VIFPVBQESA-N	0	0	317.305	0.940	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1	ZINC000270942348	395824404	/nfs/dbraw/zinc/82/44/04/395824404.db2.gz	MYFHJECOSJLFAE-BDAKNGLRSA-N	0	0	307.310	0.212	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)n1	ZINC000270942350	395824756	/nfs/dbraw/zinc/82/47/56/395824756.db2.gz	MYFHJECOSJLFAE-IUCAKERBSA-N	0	0	307.310	0.212	10	5		DCBERN
Cn1nccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000056040437	395926010	/nfs/dbraw/zinc/92/60/10/395926010.db2.gz	HVHIBANDDQPLGR-UHFFFAOYSA-N	0	0	314.298	0.946	10	5		DCBERN
NC(=O)c1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000246275145	395946248	/nfs/dbraw/zinc/94/62/48/395946248.db2.gz	HKMZQOZDNDXZBN-ZDUSSCGKSA-N	0	0	304.350	0.974	10	5		DCBERN
O=C1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCN1	ZINC000153200456	396022507	/nfs/dbraw/zinc/02/25/07/396022507.db2.gz	BLSSEQUXEGECPF-UHFFFAOYSA-N	0	0	313.335	0.247	10	5		DCBERN
COC(=O)c1cnc(N[C@H](C)Cn2cncn2)c([N+](=O)[O-])c1	ZINC000276505940	396004821	/nfs/dbraw/zinc/00/48/21/396004821.db2.gz	DCDWQMDPZAKUQJ-MRVPVSSYSA-N	0	0	306.282	0.869	10	5		DCBERN
Cc1c(NC(=O)C(=O)N[C@H](C)[C@@H](C)CO)cccc1[N+](=O)[O-]	ZINC000177790708	396183963	/nfs/dbraw/zinc/18/39/63/396183963.db2.gz	QRSVDEIGXXUEBU-WCBMZHEXSA-N	0	0	309.322	0.975	10	5		DCBERN
Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](NS(C)(=O)=O)C2)n1	ZINC000178228034	396192064	/nfs/dbraw/zinc/19/20/64/396192064.db2.gz	UQLOAPXANWWGED-SECBINFHSA-N	0	0	300.340	0.426	10	5		DCBERN
CC1(C)CNC(=O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000282061028	396259407	/nfs/dbraw/zinc/25/94/07/396259407.db2.gz	PVWHPWJPDVOSDI-UHFFFAOYSA-N	0	0	313.335	0.494	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])c1)NCCN1CCc2ccccc21	ZINC000077234446	396215516	/nfs/dbraw/zinc/21/55/16/396215516.db2.gz	SQDVJJBAPBICIE-UHFFFAOYSA-N	0	0	315.333	0.970	10	5		DCBERN
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCn2ccnn2)c1	ZINC000186084564	396340361	/nfs/dbraw/zinc/34/03/61/396340361.db2.gz	SIWGXMVENVWDDG-UHFFFAOYSA-N	0	0	311.323	0.555	10	5		DCBERN
COCC(=O)NC1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1	ZINC000186312021	396347532	/nfs/dbraw/zinc/34/75/32/396347532.db2.gz	VKAWCBRSIVFBPO-UHFFFAOYSA-N	0	0	311.269	0.321	10	5		DCBERN
C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1CCO	ZINC000188797686	396386239	/nfs/dbraw/zinc/38/62/39/396386239.db2.gz	PCVUCAWTYBNRSR-JTQLQIEISA-N	0	0	311.313	0.873	10	5		DCBERN
CCN1CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1=O	ZINC000190650985	396409927	/nfs/dbraw/zinc/40/99/27/396409927.db2.gz	WNJMFERFEWJVMD-UHFFFAOYSA-N	0	0	313.335	0.714	10	5		DCBERN
CC[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(N)=O	ZINC000292178645	396534653	/nfs/dbraw/zinc/53/46/53/396534653.db2.gz	QAJWCACXFWCLDD-ZETCQYMHSA-N	0	0	305.287	0.276	10	5		DCBERN
O=C(N1CCCC1)[C@@]1(O)CCCN(c2ccncc2[N+](=O)[O-])C1	ZINC000585788644	396655877	/nfs/dbraw/zinc/65/58/77/396655877.db2.gz	BMQKNMAHUIOBCE-OAHLLOKOSA-N	0	0	320.349	0.944	10	5		DCBERN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CC(CO)C1	ZINC000595401083	396602989	/nfs/dbraw/zinc/60/29/89/396602989.db2.gz	RVRNSSFGXSOIRN-UHFFFAOYSA-N	0	0	300.336	0.952	10	5		DCBERN
COc1cc(C(=O)N2CC(n3ccnn3)C2)ccc1[N+](=O)[O-]	ZINC000374802638	396688185	/nfs/dbraw/zinc/68/81/85/396688185.db2.gz	WRYJCJQWSTYWOD-UHFFFAOYSA-N	0	0	303.278	0.892	10	5		DCBERN
Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC(n2ccnn2)C1	ZINC000374846456	396691941	/nfs/dbraw/zinc/69/19/41/396691941.db2.gz	QIIQNXQAUPOQAS-UHFFFAOYSA-N	0	0	306.257	0.605	10	5		DCBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCC(S(N)(=O)=O)CC2)n1	ZINC000611616036	396895997	/nfs/dbraw/zinc/89/59/97/396895997.db2.gz	MNFNWDISRDWGIB-UHFFFAOYSA-N	0	0	314.367	0.864	10	5		DCBERN
COC(=O)c1ccc([N+](=O)[O-])c(N2CCCN(C(N)=O)CC2)c1	ZINC000611748971	396923565	/nfs/dbraw/zinc/92/35/65/396923565.db2.gz	AYTYHRFBMRMJAP-UHFFFAOYSA-N	0	0	322.321	0.972	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)n1	ZINC000619777400	397191099	/nfs/dbraw/zinc/19/10/99/397191099.db2.gz	XRUHWBSEGBTAPG-SNVBAGLBSA-N	0	0	308.294	0.148	10	5		DCBERN
C[C@H]1[C@H](CO)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000386342150	397288010	/nfs/dbraw/zinc/28/80/10/397288010.db2.gz	XDZAMXUUEFWAHK-UWVGGRQHSA-N	0	0	300.336	0.986	10	5		DCBERN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2O)c1	ZINC000599493129	397457765	/nfs/dbraw/zinc/45/77/65/397457765.db2.gz	KBQKXPBZBUNAKU-MNOVXSKESA-N	0	0	302.308	0.023	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)cc1	ZINC000599493337	397458152	/nfs/dbraw/zinc/45/81/52/397458152.db2.gz	NMCSZFKLGPLIJE-GHMZBOCLSA-N	0	0	302.308	0.023	10	5		DCBERN
CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000488057021	397484898	/nfs/dbraw/zinc/48/48/98/397484898.db2.gz	LRIPYESHQVXTFI-PWSUYJOCSA-N	0	0	311.342	0.754	10	5		DCBERN
Cc1c(C(=O)NCC[C@@H](C)O)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000118718536	158177298	/nfs/dbraw/zinc/17/72/98/158177298.db2.gz	YHLHRXPHKRNFAT-SECBINFHSA-N	0	0	319.321	0.985	10	5		DCBERN
CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000171838527	158387847	/nfs/dbraw/zinc/38/78/47/158387847.db2.gz	HJFWKXSTMYTBGP-ZETCQYMHSA-N	0	0	319.364	0.555	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1Cc2ccccc2[C@H]1O	ZINC000178686440	158461440	/nfs/dbraw/zinc/46/14/40/158461440.db2.gz	GCPJTDRLOVYGLQ-TZMCWYRMSA-N	0	0	302.290	0.566	10	5		DCBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCNC[C@@H]1C(F)F	ZINC000367479872	159341094	/nfs/dbraw/zinc/34/10/94/159341094.db2.gz	FVPPKHXIIYFZOX-SECBINFHSA-N	0	0	321.305	0.822	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)n1	ZINC000408326624	160085564	/nfs/dbraw/zinc/08/55/64/160085564.db2.gz	NYAHJYSTQDBJRM-YGRLFVJLSA-N	0	0	324.337	0.831	10	5		DCBERN
C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CCS1(=O)=O	ZINC000268141505	415166391	/nfs/dbraw/zinc/16/63/91/415166391.db2.gz	IWOWEBXNCCOHAF-MRVPVSSYSA-N	0	0	316.310	0.993	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](C)O	ZINC000085990943	415506212	/nfs/dbraw/zinc/50/62/12/415506212.db2.gz	VTLYGDWKOZSADE-QMMMGPOBSA-N	0	0	304.324	0.653	10	5		DCBERN
CC(C)N1C(=O)N[C@@H]2CN(c3ncc([N+](=O)[O-])cn3)CC[C@@H]21	ZINC000284558806	415597762	/nfs/dbraw/zinc/59/77/62/415597762.db2.gz	MAQHFIPZXPKZDV-MNOVXSKESA-N	0	0	306.326	0.766	10	5		DCBERN
CC(C)(C)OC(=O)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000174939389	416091873	/nfs/dbraw/zinc/09/18/73/416091873.db2.gz	CYPPTVPJBBKVJE-JTQLQIEISA-N	0	0	324.337	0.982	10	5		DCBERN
Nc1c(C(=O)N[C@@H]2CCc3ncnn3C2)cccc1[N+](=O)[O-]	ZINC000176645123	416131457	/nfs/dbraw/zinc/13/14/57/416131457.db2.gz	KIPYXHZWCZZSJD-MRVPVSSYSA-N	0	0	302.294	0.513	10	5		DCBERN
COCCCOC1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1	ZINC000176921323	416138349	/nfs/dbraw/zinc/13/83/49/416138349.db2.gz	IILAMBBRVANODT-UHFFFAOYSA-N	0	0	312.326	0.445	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CN2CCN1CC2	ZINC000178638014	416168035	/nfs/dbraw/zinc/16/80/35/416168035.db2.gz	RWBUSPKXECSAED-CYBMUJFWSA-N	0	0	304.350	0.633	10	5		DCBERN
Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN(C2CC2)CCO1	ZINC000180783998	416200659	/nfs/dbraw/zinc/20/06/59/416200659.db2.gz	IMDWZJRSSSQCQH-LLVKDONJSA-N	0	0	320.349	0.770	10	5		DCBERN
C[C@@H](O)CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	ZINC000183681981	416248109	/nfs/dbraw/zinc/24/81/09/416248109.db2.gz	NFAIZHPCWFDJMD-SNVBAGLBSA-N	0	0	302.352	0.828	10	5		DCBERN
C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCS1(=O)=O	ZINC000185519301	416255024	/nfs/dbraw/zinc/25/50/24/416255024.db2.gz	SNOGXEJMIOGHAQ-QMMMGPOBSA-N	0	0	313.335	0.317	10	5		DCBERN
CN(C)c1noc(CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n1	ZINC000358579213	416256235	/nfs/dbraw/zinc/25/62/35/416256235.db2.gz	NWMAMQANLLKSBI-UHFFFAOYSA-N	0	0	319.277	0.969	10	5		DCBERN
C[C@H](CN1CCOCC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000193971196	416320702	/nfs/dbraw/zinc/32/07/02/416320702.db2.gz	WHSUOGOWFTZHMH-SECBINFHSA-N	0	0	309.326	0.221	10	5		DCBERN
Cc1c(CNC(=O)N2CC[C@H](NC(N)=O)C2)cccc1[N+](=O)[O-]	ZINC000359545869	416350240	/nfs/dbraw/zinc/35/02/40/416350240.db2.gz	KBSOVSUXVQIUBI-NSHDSACASA-N	0	0	321.337	0.855	10	5		DCBERN
COCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CC[C@@H](C)C1	ZINC000361247732	416427783	/nfs/dbraw/zinc/42/77/83/416427783.db2.gz	ZAHOLOBDFHTMCG-GHMZBOCLSA-N	0	0	311.342	0.850	10	5		DCBERN
COC[C@@](C)(O)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000532777882	416455318	/nfs/dbraw/zinc/45/53/18/416455318.db2.gz	WOWBYLHKUDGINH-LBPRGKRZSA-N	0	0	318.351	0.412	10	5		DCBERN
CN1Cc2ccccc2[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC000535279447	416519557	/nfs/dbraw/zinc/51/95/57/416519557.db2.gz	BSNGTCYAXPRUTF-GFCCVEGCSA-N	0	0	316.321	0.489	10	5		DCBERN
C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[S@](=O)C1	ZINC000373019402	416948986	/nfs/dbraw/zinc/94/89/86/416948986.db2.gz	NTEKNYWHJSBGPL-BTKVJGODSA-N	0	0	309.351	0.842	10	5		DCBERN
CCOc1ncc(C)cc1NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000452678313	417494491	/nfs/dbraw/zinc/49/44/91/417494491.db2.gz	STSUAMWDLMMJDN-UHFFFAOYSA-N	0	0	306.282	0.927	10	5		DCBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)c1cn2ccnc2s1	ZINC000188693223	261129518	/nfs/dbraw/zinc/12/95/18/261129518.db2.gz	XJEAYKUOFKQQBH-UHFFFAOYSA-N	0	0	306.307	0.931	10	5		DCBERN
CS(=O)(=O)N1CCC(Nc2ccncc2[N+](=O)[O-])CC1	ZINC000357025150	261495850	/nfs/dbraw/zinc/49/58/50/261495850.db2.gz	CFAKFHVXRXZCIM-UHFFFAOYSA-N	0	0	300.340	0.248	10	5		DCBERN
Cn1cnc2cc(NC(=O)Cn3cnc([N+](=O)[O-])n3)ccc21	ZINC000440523889	271654594	/nfs/dbraw/zinc/65/45/94/271654594.db2.gz	AWOBCUVQSFVWAP-UHFFFAOYSA-N	0	0	301.266	0.712	10	5		DCBERN
COc1ccc([N+](=O)[O-])c(N2CC[C@H](NS(C)(=O)=O)C2)c1	ZINC000292928679	277431680	/nfs/dbraw/zinc/43/16/80/277431680.db2.gz	AHFFXHVKQSEQKZ-VIFPVBQESA-N	0	0	315.351	0.731	10	5		DCBERN
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000547758457	288076299	/nfs/dbraw/zinc/07/62/99/288076299.db2.gz	SRAWZFTVHZLJAG-LLVKDONJSA-N	0	0	315.289	0.853	10	5		DCBERN
O=C(NCc1cccc([N+](=O)[O-])c1)N1CCN2CCOC[C@H]2C1	ZINC000564615205	288753256	/nfs/dbraw/zinc/75/32/56/288753256.db2.gz	UATOXRSTSMBXCC-CQSZACIVSA-N	0	0	320.349	0.821	10	5		DCBERN
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@H]2C1	ZINC000285834237	290167962	/nfs/dbraw/zinc/16/79/62/290167962.db2.gz	POBHXXSRIFJTFP-JSGCOSHPSA-N	0	0	321.333	0.846	10	5		DCBERN
CN1c2ccc(Br)cc2[C@@](N)(C[N+](=O)[O-])C1=O	ZINC000584610542	337372046	/nfs/dbraw/zinc/37/20/46/337372046.db2.gz	FWBXYPGFYLYIGQ-JTQLQIEISA-N	0	0	300.112	0.856	10	5		DCBERN
CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CC(=O)NC1=O	ZINC000162645352	520073149	/nfs/dbraw/zinc/07/31/49/520073149.db2.gz	SHARDRDWCCCFPB-QMMMGPOBSA-N	0	0	311.319	0.842	10	5		DCBERN
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)OC	ZINC000228410439	521917482	/nfs/dbraw/zinc/91/74/82/521917482.db2.gz	KYQQOTWKSWGVRO-UHFFFAOYSA-N	0	0	304.280	0.563	10	5		DCBERN
COC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)C(F)(F)F)c1=O	ZINC000158311659	521918948	/nfs/dbraw/zinc/91/89/48/521918948.db2.gz	GSTBZKAERZEYBV-SSDOTTSWSA-N	0	0	310.184	0.466	10	5		DCBERN
NS(=O)(=O)c1ccc(NCC2(CCO)CC2)c([N+](=O)[O-])c1	ZINC000302487542	534703741	/nfs/dbraw/zinc/70/37/41/534703741.db2.gz	YBSOFBDZHFSBRT-UHFFFAOYSA-N	0	0	315.351	0.817	10	5		DCBERN
Cc1cc(C(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)[nH]n1	ZINC000130091844	524125664	/nfs/dbraw/zinc/12/56/64/524125664.db2.gz	NZIXKVDDNXGYGQ-STQMWFEESA-N	0	0	320.305	0.451	10	5		DCBERN
Cc1cc(N2CC[C@@H](NS(C)(=O)=O)C2)ncc1[N+](=O)[O-]	ZINC000266854660	525092051	/nfs/dbraw/zinc/09/20/51/525092051.db2.gz	SRMGDRAUUQCBLE-SECBINFHSA-N	0	0	300.340	0.426	10	5		DCBERN
CS(=O)(=O)N[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1	ZINC000123035148	525214547	/nfs/dbraw/zinc/21/45/47/525214547.db2.gz	BMARKESJMUGXAX-ZETCQYMHSA-N	0	0	320.758	0.771	10	5		DCBERN
Cc1noc([C@H]2COCCN2CCn2ccc([N+](=O)[O-])n2)n1	ZINC000161005815	526673295	/nfs/dbraw/zinc/67/32/95/526673295.db2.gz	WGLYVGKUOXJVOX-SNVBAGLBSA-N	0	0	308.298	0.556	10	5		DCBERN
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN2CCOC[C@@H]2C1	ZINC000368221814	527271321	/nfs/dbraw/zinc/27/13/21/527271321.db2.gz	OBOJWKHZFOFPCF-AWEZNQCLSA-N	0	0	305.334	0.680	10	5		DCBERN
CCCc1n[nH]c(C(=O)N[C@@H](C(=O)NC)C(C)C)c1[N+](=O)[O-]	ZINC000178588816	528548486	/nfs/dbraw/zinc/54/84/86/528548486.db2.gz	XHISYJSWYCPQSC-SECBINFHSA-N	0	0	311.342	0.771	10	5		DCBERN
CCOC(=O)CN(C(=O)c1nn(CC)cc1[N+](=O)[O-])C1CC1	ZINC000191573105	528780180	/nfs/dbraw/zinc/78/01/80/528780180.db2.gz	NFKHXJDFKKWVEQ-UHFFFAOYSA-N	0	0	310.310	0.979	10	5		DCBERN
O=[N+]([O-])c1cc(Br)cnc1N1C[C@@H](O)[C@H](CO)C1	ZINC000317332273	1190421007	/nfs/dbraw/zinc/42/10/07/1190421007.db2.gz	CJHRCCAHSSQGCB-IMTBSYHQSA-N	0	0	318.127	0.542	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@H](C)O	ZINC000344892998	663080009	/nfs/dbraw/zinc/08/00/09/663080009.db2.gz	WIGVLOQXABNKIG-YUMQZZPRSA-N	0	0	304.324	0.651	10	5		DCBERN
CC[S@@](=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000733898981	666824635	/nfs/dbraw/zinc/82/46/35/666824635.db2.gz	ATEDRVOZLHQVND-LJQANCHMSA-N	0	0	320.392	0.950	10	5		DCBERN
CC[S@@](=O)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000735202384	666968727	/nfs/dbraw/zinc/96/87/27/666968727.db2.gz	VCYQQIVLVBOJQP-OAQYLSRUSA-N	0	0	313.335	0.418	10	5		DCBERN
COc1ccccc1[C@@H](O)CNC(=O)c1[nH]ncc1[N+](=O)[O-]	ZINC000135875554	667668814	/nfs/dbraw/zinc/66/88/14/667668814.db2.gz	MBQCQXGYSAHCAM-JTQLQIEISA-N	0	0	306.278	0.790	10	5		DCBERN
CC(=O)Nc1ccc(OC(=O)Cn2cnc([N+](=O)[O-])n2)c(F)c1	ZINC000742835649	667800173	/nfs/dbraw/zinc/80/01/73/667800173.db2.gz	GZCXDCUSNJSQPZ-UHFFFAOYSA-N	0	0	323.240	0.889	10	5		DCBERN
CC(C)C(=O)N1CCC[C@@H]1C(=O)OCCn1cc([N+](=O)[O-])cn1	ZINC000177777160	685149046	/nfs/dbraw/zinc/14/90/46/685149046.db2.gz	PWCYACWTEFLLGL-GFCCVEGCSA-N	0	0	324.337	0.982	10	5		DCBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCC[C@@H]2O)c1	ZINC000178715269	1185141599	/nfs/dbraw/zinc/14/15/99/1185141599.db2.gz	JLDXLPIKPHOPFK-RYUDHWBXSA-N	0	0	300.336	0.928	10	5		DCBERN
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@H](O)[C@@H](CO)C1	ZINC000317723322	1190423270	/nfs/dbraw/zinc/42/32/70/1190423270.db2.gz	UWTMCQVWSWDKSO-HQJQHLMTSA-N	0	0	300.698	0.673	10	5		DCBERN
C[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC(=O)N1C	ZINC000282306287	290762586	/nfs/dbraw/zinc/76/25/86/290762586.db2.gz	IONQWBACKGQPKX-QMMMGPOBSA-N	0	0	321.289	0.626	10	5		DCBERN
COC[C@@](C)(CCO)NC(=O)CNc1ccccc1[N+](=O)[O-]	ZINC000182852696	199500675	/nfs/dbraw/zinc/50/06/75/199500675.db2.gz	JLLLPMCVKDSNKW-CQSZACIVSA-N	0	0	311.338	0.910	10	5		DCBERN
CO[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[C@H]1C	ZINC000187664571	200141626	/nfs/dbraw/zinc/14/16/26/200141626.db2.gz	JEWLGCAODYDAAE-PWSUYJOCSA-N	0	0	311.342	0.858	10	5		DCBERN
CCOCCN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1C	ZINC000160881080	291240176	/nfs/dbraw/zinc/24/01/76/291240176.db2.gz	YDMSAWWVCMVCPJ-SNVBAGLBSA-N	0	0	311.342	0.501	10	5		DCBERN
O=C(NC(=S)N1CCNC(=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000013988159	181916231	/nfs/dbraw/zinc/91/62/31/181916231.db2.gz	MIBONVTYHRVAPO-UHFFFAOYSA-N	0	0	308.319	0.041	10	5		DCBERN
C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)S(N)(=O)=O	ZINC000350622317	254320086	/nfs/dbraw/zinc/32/00/86/254320086.db2.gz	ZEVWVDCPYFYHSN-ZCFIWIBFSA-N	0	0	321.742	0.655	10	5		DCBERN
C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)S(N)(=O)=O	ZINC000350622316	254320386	/nfs/dbraw/zinc/32/03/86/254320386.db2.gz	ZEVWVDCPYFYHSN-LURJTMIESA-N	0	0	321.742	0.655	10	5		DCBERN
Cc1sc(C(=O)Nc2cnn(CC(N)=O)c2)cc1[N+](=O)[O-]	ZINC000053414018	395883326	/nfs/dbraw/zinc/88/33/26/395883326.db2.gz	HYDAJARFATYGPJ-UHFFFAOYSA-N	0	0	309.307	0.899	10	5		DCBERN
COC(=O)c1ccc([N+](=O)[O-])c(N2CCS(=O)(=O)CC2)c1	ZINC000136301876	395946302	/nfs/dbraw/zinc/94/63/02/395946302.db2.gz	MKPBMICVKZWOOI-UHFFFAOYSA-N	0	0	314.319	0.616	10	5		DCBERN
NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000070231857	396100319	/nfs/dbraw/zinc/10/03/19/396100319.db2.gz	SYQVNFDLMJTBDG-XCBNKYQSSA-N	0	0	313.697	0.309	10	5		DCBERN
Cc1sc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)cc1[N+](=O)[O-]	ZINC000171032933	396104671	/nfs/dbraw/zinc/10/46/71/396104671.db2.gz	JPNOUDNYGGDSSN-SECBINFHSA-N	0	0	323.330	0.984	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)[C@@H](C)O)CC1	ZINC000183372843	396267886	/nfs/dbraw/zinc/26/78/86/396267886.db2.gz	TXBCOVGZZJEIJM-GFCCVEGCSA-N	0	0	307.350	0.928	10	5		DCBERN
CCCc1n[nH]c(C(=O)NCCCn2ccnn2)c1[N+](=O)[O-]	ZINC000184994380	396313229	/nfs/dbraw/zinc/31/32/29/396313229.db2.gz	DJUKEWKPFQXLQD-UHFFFAOYSA-N	0	0	307.314	0.682	10	5		DCBERN
C[C@@H](O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1C	ZINC000184447260	396296099	/nfs/dbraw/zinc/29/60/99/396296099.db2.gz	GFGWZFIDNSHNOI-WDEREUQCSA-N	0	0	322.365	0.704	10	5		DCBERN
C[C@]1(C(N)=O)CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000185927045	396337092	/nfs/dbraw/zinc/33/70/92/396337092.db2.gz	OZEHAKSNBUOTEY-OAHLLOKOSA-N	0	0	320.349	0.924	10	5		DCBERN
O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](n2cncn2)C1	ZINC000187076669	396362891	/nfs/dbraw/zinc/36/28/91/396362891.db2.gz	SMHCLORJDJVQHF-JTQLQIEISA-N	0	0	318.293	0.764	10	5		DCBERN
C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1CCO	ZINC000188797659	396386707	/nfs/dbraw/zinc/38/67/07/396386707.db2.gz	PCVUCAWTYBNRSR-SNVBAGLBSA-N	0	0	311.313	0.873	10	5		DCBERN
CN1C(=O)N[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21	ZINC000286387886	396392187	/nfs/dbraw/zinc/39/21/87/396392187.db2.gz	QMCFKLKKDWWUPZ-MNOVXSKESA-N	0	0	322.296	0.972	10	5		DCBERN
COCCN1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1=O	ZINC000191268805	396417488	/nfs/dbraw/zinc/41/74/88/396417488.db2.gz	FNDMRIUXBLRAMX-UHFFFAOYSA-N	0	0	321.333	0.916	10	5		DCBERN
COc1cc(C(=O)N2CCCNC(=O)[C@@H]2C)ccc1[N+](=O)[O-]	ZINC000188102103	396379226	/nfs/dbraw/zinc/37/92/26/396379226.db2.gz	HVOBVTKTBPJKQS-VIFPVBQESA-N	0	0	307.306	0.954	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl	ZINC000596437344	396777540	/nfs/dbraw/zinc/77/75/40/396777540.db2.gz	VZJJRNZWMIYDMO-DTWKUNHWSA-N	0	0	321.742	0.867	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ncc(C)cc1[N+](=O)[O-]	ZINC000596432733	396774251	/nfs/dbraw/zinc/77/42/51/396774251.db2.gz	FERKHTVSCOCDLZ-PSASIEDQSA-N	0	0	301.324	0.522	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1c(Cl)cncc1[N+](=O)[O-]	ZINC000596437695	396777319	/nfs/dbraw/zinc/77/73/19/396777319.db2.gz	XXHKHCAGAWVPMF-IONNQARKSA-N	0	0	321.742	0.289	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H](C[C@@H]2CCOC2)C1	ZINC000611355994	396857048	/nfs/dbraw/zinc/85/70/48/396857048.db2.gz	OMNAIBRCQQFRQB-RYUDHWBXSA-N	0	0	323.353	0.852	10	5		DCBERN
Cc1cnc(N2CCC[C@@H]2CS(N)(=O)=O)c([N+](=O)[O-])c1	ZINC000611539555	396883846	/nfs/dbraw/zinc/88/38/46/396883846.db2.gz	AKHKREBTTWJVMB-SECBINFHSA-N	0	0	300.340	0.556	10	5		DCBERN
CCN1CC[C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1=O	ZINC000619801716	397195192	/nfs/dbraw/zinc/19/51/92/397195192.db2.gz	LRDGEULIMHFJEX-SNVBAGLBSA-N	0	0	307.306	0.954	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2[C@H]2CCCO2)n1	ZINC000408106007	397347348	/nfs/dbraw/zinc/34/73/48/397347348.db2.gz	RPOBZKNOJJNQKZ-WDEREUQCSA-N	0	0	310.310	0.348	10	5		DCBERN
CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000064243901	158032952	/nfs/dbraw/zinc/03/29/52/158032952.db2.gz	ZFYMTBZFRFFZGT-UHFFFAOYSA-N	0	0	319.364	0.555	10	5		DCBERN
CNC(=O)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000130832153	158297202	/nfs/dbraw/zinc/29/72/02/158297202.db2.gz	VFQTVQYOSQDIHE-UHFFFAOYSA-N	0	0	306.322	0.380	10	5		DCBERN
Cc1cc(C(=O)NCC(=O)N[C@@H](C)[C@H](C)CO)ccc1[N+](=O)[O-]	ZINC000183971268	158503635	/nfs/dbraw/zinc/50/36/35/158503635.db2.gz	OXWFVBRQZKSQKY-MNOVXSKESA-N	0	0	323.349	0.766	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1	ZINC000408023799	160014466	/nfs/dbraw/zinc/01/44/66/160014466.db2.gz	VIHXDRJCPRFOEJ-ZIAGYGMSSA-N	0	0	320.349	0.843	10	5		DCBERN
Cc1nn(C)c(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1[N+](=O)[O-]	ZINC000408129424	160043511	/nfs/dbraw/zinc/04/35/11/160043511.db2.gz	PJDCTHPPUHOKIM-LLVKDONJSA-N	0	0	323.353	0.183	10	5		DCBERN
Cc1sc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1[N+](=O)[O-]	ZINC000408143907	160047168	/nfs/dbraw/zinc/04/71/68/160047168.db2.gz	DPFVLDCWULJDQI-MRVPVSSYSA-N	0	0	324.318	0.341	10	5		DCBERN
CCc1ccc(C(=O)N2CCOC[C@@H]2C(N)=O)cc1[N+](=O)[O-]	ZINC000091778643	415539468	/nfs/dbraw/zinc/53/94/68/415539468.db2.gz	UWFZOEWOKDREJY-GFCCVEGCSA-N	0	0	307.306	0.484	10	5		DCBERN
O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCc2ncnn2C1	ZINC000112660402	415713327	/nfs/dbraw/zinc/71/33/27/415713327.db2.gz	JAQSCXOWASJBMN-SNVBAGLBSA-N	0	0	317.305	0.696	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]1CO	ZINC000121128191	415792983	/nfs/dbraw/zinc/79/29/83/415792983.db2.gz	DTQQGGXGFNTHHT-LLVKDONJSA-N	0	0	307.306	0.825	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1	ZINC000172444755	416045334	/nfs/dbraw/zinc/04/53/34/416045334.db2.gz	IXFPXZBFWIDHEE-MNOVXSKESA-N	0	0	323.353	0.650	10	5		DCBERN
CN1CCO[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1	ZINC000170683859	416028207	/nfs/dbraw/zinc/02/82/07/416028207.db2.gz	FUCMSBMENNQIRO-LBPRGKRZSA-N	0	0	323.349	0.811	10	5		DCBERN
Nc1c(C(=O)NC[C@H]2CN3CCN2CC3)cc(F)cc1[N+](=O)[O-]	ZINC000178973054	416179330	/nfs/dbraw/zinc/17/93/30/416179330.db2.gz	DGISYZYTDXVSNI-JTQLQIEISA-N	0	0	323.328	0.046	10	5		DCBERN
O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1Cc2ccccc2[C@H]1O	ZINC000178303099	416159968	/nfs/dbraw/zinc/15/99/68/416159968.db2.gz	UTEBHHYJDMORNS-UKRRQHHQSA-N	0	0	316.317	0.956	10	5		DCBERN
O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1Cc2ccccc2[C@@H]1O	ZINC000178303128	416160779	/nfs/dbraw/zinc/16/07/79/416160779.db2.gz	UTEBHHYJDMORNS-HIFRSBDPSA-N	0	0	316.317	0.956	10	5		DCBERN
O=C(NC[C@@H](O)CN1CCOCC1)c1csc([N+](=O)[O-])c1	ZINC000192455477	416306328	/nfs/dbraw/zinc/30/63/28/416306328.db2.gz	XRQPEFKENDVPSK-SNVBAGLBSA-N	0	0	315.351	0.079	10	5		DCBERN
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191579268	416286714	/nfs/dbraw/zinc/28/67/14/416286714.db2.gz	DXNATRBZWHZUSO-RKDXNWHRSA-N	0	0	311.342	0.844	10	5		DCBERN
CC(C)n1nnnc1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000195516505	416326661	/nfs/dbraw/zinc/32/66/61/416326661.db2.gz	QZHOIBOBTKBKSQ-UHFFFAOYSA-N	0	0	316.277	0.958	10	5		DCBERN
Cc1nc(NC(=O)Cn2cnc([N+](=O)[O-])n2)nc2c1CCCC2	ZINC000361443013	416437292	/nfs/dbraw/zinc/43/72/92/416437292.db2.gz	NXIKJBJFQJLYAT-UHFFFAOYSA-N	0	0	317.309	0.802	10	5		DCBERN
COc1cc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)ccc1O	ZINC000532684352	416450922	/nfs/dbraw/zinc/45/09/22/416450922.db2.gz	GYGSRVZOMFTPCH-UHFFFAOYSA-N	0	0	307.266	0.217	10	5		DCBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2COCCO2)c1	ZINC000443723134	416778471	/nfs/dbraw/zinc/77/84/71/416778471.db2.gz	YOJYVIHNZXCBSM-LBPRGKRZSA-N	0	0	316.335	0.430	10	5		DCBERN
COCCCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000559331253	416811227	/nfs/dbraw/zinc/81/12/27/416811227.db2.gz	JHWLKBGNSNNYBC-UHFFFAOYSA-N	0	0	321.333	0.632	10	5		DCBERN
C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H](O)Cc1ccccc1	ZINC000438233237	287368596	/nfs/dbraw/zinc/36/85/96/287368596.db2.gz	FUAMFXPZCYWRHE-JQWIXIFHSA-N	0	0	319.321	0.295	10	5		DCBERN
CC(=O)N1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1	ZINC000580596563	417717829	/nfs/dbraw/zinc/71/78/29/417717829.db2.gz	XUSOYWPMPXRYQV-VIFPVBQESA-N	0	0	324.312	0.914	10	5		DCBERN
CC1(C)CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]1[C@@H]1CCCO1	ZINC000362288689	262020177	/nfs/dbraw/zinc/02/01/77/262020177.db2.gz	RYTOZZARDQUDSX-ONGXEEELSA-N	0	0	309.326	0.602	10	5		DCBERN
COC(=O)c1cc(C)nc(N2C[C@H](F)C[C@H]2CO)c1[N+](=O)[O-]	ZINC000367815245	277150705	/nfs/dbraw/zinc/15/07/05/277150705.db2.gz	MFXOJXMBEHNCPK-BDAKNGLRSA-N	0	0	313.285	0.994	10	5		DCBERN
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N2CCOC[C@H]12	ZINC000193043882	280300303	/nfs/dbraw/zinc/30/03/03/280300303.db2.gz	ZLLBTZKZDYKGIM-MNOVXSKESA-N	0	0	308.250	0.332	10	5		DCBERN
C[C@@H]1[C@H](C)N(Cc2c([N+](=O)[O-])ncn2C)CCS1(=O)=O	ZINC000408310451	289014148	/nfs/dbraw/zinc/01/41/48/289014148.db2.gz	SCLNHPBFBYFIEB-DTWKUNHWSA-N	0	0	302.356	0.336	10	5		DCBERN
NC(=O)[C@H]1COCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000180267222	303333688	/nfs/dbraw/zinc/33/36/88/303333688.db2.gz	IEAKGHFBUSQJAE-SNVBAGLBSA-N	0	0	313.697	0.575	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1(C)OCCCO1	ZINC000191155479	527090113	/nfs/dbraw/zinc/09/01/13/527090113.db2.gz	RWRRZMIZYDKOEX-UHFFFAOYSA-N	0	0	312.326	0.759	10	5		DCBERN
CC[S@](=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000733895962	666826817	/nfs/dbraw/zinc/82/68/17/666826817.db2.gz	RSGOGCLXQFHNND-IBGZPJMESA-N	0	0	321.380	0.423	10	5		DCBERN
Cc1nn(CN2CCO[C@@H](Cn3cccn3)C2)c(C)c1[N+](=O)[O-]	ZINC000152846907	664776823	/nfs/dbraw/zinc/77/68/23/664776823.db2.gz	BYOFULORVLFMGG-CYBMUJFWSA-N	0	0	320.353	0.963	10	5		DCBERN
COCCOC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000732496857	664938964	/nfs/dbraw/zinc/93/89/64/664938964.db2.gz	DQZHDNHCSZNLSH-VIFPVBQESA-N	0	0	312.278	0.982	10	5		DCBERN
CC[S@@](=O)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C	ZINC000733882868	666823826	/nfs/dbraw/zinc/82/38/26/666823826.db2.gz	QQWDPBPHYUMZMR-HXUWFJFHSA-N	0	0	302.356	0.375	10	5		DCBERN
CCCc1n[nH]c(C(=O)NCC[S@](=O)CC)c1[N+](=O)[O-]	ZINC000735116594	666956022	/nfs/dbraw/zinc/95/60/22/666956022.db2.gz	QLSGYZOPBPBDNU-HXUWFJFHSA-N	0	0	302.356	0.769	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)OCCn1ncc2ccccc21	ZINC000737364085	667599304	/nfs/dbraw/zinc/59/93/04/667599304.db2.gz	GOAKPKFKQJDLRN-UHFFFAOYSA-N	0	0	316.277	0.779	10	5		DCBERN
O=C([C@H]1CNC(=O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000194767668	670456324	/nfs/dbraw/zinc/45/63/24/670456324.db2.gz	JMTITSGMMAITAI-LLVKDONJSA-N	0	0	318.333	0.380	10	5		DCBERN
O=C(N[C@H]1CCC(=O)NC1=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000089755320	1175343885	/nfs/dbraw/zinc/34/38/85/1175343885.db2.gz	QIRWZCVXIDDKMR-ZETCQYMHSA-N	0	0	311.681	0.783	10	5		DCBERN
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](CO)[C@H](O)C1	ZINC000317660265	775113048	/nfs/dbraw/zinc/11/30/48/775113048.db2.gz	MWASYBBHQQHDEI-RDDDGLTNSA-N	0	0	300.698	0.673	10	5		DCBERN
Nc1c(C(=O)N2CCO[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-]	ZINC000183832974	186222284	/nfs/dbraw/zinc/22/22/84/186222284.db2.gz	QXFZQCGCWJFYAW-AWEZNQCLSA-N	0	0	307.306	0.809	10	5		DCBERN
O=C(N[C@H]1CCC(=O)NC1=O)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000129392576	295846062	/nfs/dbraw/zinc/84/60/62/295846062.db2.gz	WJZJWEGHMHENFZ-QMMMGPOBSA-N	0	0	311.681	0.783	10	5		DCBERN
NS(=O)(=O)c1cc(NC[C@@H]2CCC[C@@H]2O)cc([N+](=O)[O-])c1	ZINC000266185414	205167440	/nfs/dbraw/zinc/16/74/40/205167440.db2.gz	AMMPIPMGMALAAI-UFBFGSQYSA-N	0	0	315.351	0.815	10	5		DCBERN
Nc1nnc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1	ZINC000020201167	182196991	/nfs/dbraw/zinc/19/69/91/182196991.db2.gz	KUKIRIDKCQIFTO-UHFFFAOYSA-N	0	0	324.278	0.867	10	5		DCBERN
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1N1CCOCC1	ZINC000286071269	218776512	/nfs/dbraw/zinc/77/65/12/218776512.db2.gz	LVLNBVGERFTKGQ-GXSJLCMTSA-N	0	0	309.326	0.111	10	5		DCBERN
CCc1[nH]nc(C(=O)Nc2cnc(N(C)C)nc2)c1[N+](=O)[O-]	ZINC000178965628	252610351	/nfs/dbraw/zinc/61/03/51/252610351.db2.gz	QPDDNZUSLAGDTB-UHFFFAOYSA-N	0	0	305.298	0.989	10	5		DCBERN
CCc1nn(C)c(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c1[N+](=O)[O-]	ZINC000284682635	131103456	/nfs/dbraw/zinc/10/34/56/131103456.db2.gz	YGFPZRMDGTYGQO-ZJUUUORDSA-N	0	0	308.342	0.493	10	5		DCBERN
C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000106382278	395782765	/nfs/dbraw/zinc/78/27/65/395782765.db2.gz	QURSGHQPKUXLAD-WUXCAISBSA-N	0	0	319.697	0.455	10	5		DCBERN
Cn1cc([C@@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)cn1	ZINC000116122443	395842124	/nfs/dbraw/zinc/84/21/24/395842124.db2.gz	GKBFHWIPVGKCQU-SNVBAGLBSA-N	0	0	304.310	0.541	10	5		DCBERN
Cc1sc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-]	ZINC000177507685	396177437	/nfs/dbraw/zinc/17/74/37/396177437.db2.gz	OSNHLOCLNIYYRK-MRVPVSSYSA-N	0	0	310.335	0.814	10	5		DCBERN
O=C(NCCCn1ccnn1)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000184997310	396313683	/nfs/dbraw/zinc/31/36/83/396313683.db2.gz	MZZHNYCMFQIVNS-UHFFFAOYSA-N	0	0	315.293	0.883	10	5		DCBERN
CNC(=O)CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000186649065	396354678	/nfs/dbraw/zinc/35/46/78/396354678.db2.gz	ZCKAYVAUHQFXIU-VIFPVBQESA-N	0	0	307.310	0.139	10	5		DCBERN
CC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC	ZINC000267923419	396358299	/nfs/dbraw/zinc/35/82/99/396358299.db2.gz	QVGHUQDTJMEAFN-QMMMGPOBSA-N	0	0	302.308	0.825	10	5		DCBERN
C[C@@H]1C(=O)NCCCN1C(=O)COc1cccc([N+](=O)[O-])c1	ZINC000191768170	396424614	/nfs/dbraw/zinc/42/46/14/396424614.db2.gz	KUZFBXNJSCFVSA-SNVBAGLBSA-N	0	0	307.306	0.711	10	5		DCBERN
O=C(CO)N1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1	ZINC000301839404	396718000	/nfs/dbraw/zinc/71/80/00/396718000.db2.gz	ODIYHHJROCVWLG-UHFFFAOYSA-N	0	0	300.702	0.284	10	5		DCBERN
C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCN1S(C)(=O)=O	ZINC000596477033	396783230	/nfs/dbraw/zinc/78/32/30/396783230.db2.gz	AGUNIHCNUPMVNT-MRVPVSSYSA-N	0	0	318.330	0.599	10	5		DCBERN
O=C1N=NC2CN(c3nc4sccn4c3[N+](=O)[O-])CCN12	ZINC000613073517	397187703	/nfs/dbraw/zinc/18/77/03/397187703.db2.gz	QSBNUPGGEWXNEI-UHFFFAOYSA-N	0	0	307.295	0.621	10	5		DCBERN
CCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1=O	ZINC000619802513	397194983	/nfs/dbraw/zinc/19/49/83/397194983.db2.gz	HTAQASLQLZGTJS-NSHDSACASA-N	0	0	307.306	0.954	10	5		DCBERN
CS(=O)(=O)N[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1	ZINC000609797149	397791969	/nfs/dbraw/zinc/79/19/69/397791969.db2.gz	ZDMXZLRIBYWQLG-VIFPVBQESA-N	0	0	300.340	0.508	10	5		DCBERN
C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C(F)(F)F)O1	ZINC000610398707	397818253	/nfs/dbraw/zinc/81/82/53/397818253.db2.gz	MZERLZYXECWVSD-NKWVEPMBSA-N	0	0	323.231	0.365	10	5		DCBERN
Cc1c(NC(=O)C(=O)NCc2ccnn2C)cccc1[N+](=O)[O-]	ZINC000041880527	157992729	/nfs/dbraw/zinc/99/27/29/157992729.db2.gz	HZECZYPQBMTMAE-UHFFFAOYSA-N	0	0	317.305	0.892	10	5		DCBERN
CCNC(=O)CN(CC)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000064243511	158032934	/nfs/dbraw/zinc/03/29/34/158032934.db2.gz	MAIGXYJKVHLVQW-UHFFFAOYSA-N	0	0	321.380	0.803	10	5		DCBERN
C[C@](O)(CO)CNC(=O)CSc1ccc([N+](=O)[O-])cc1	ZINC000090286451	158103816	/nfs/dbraw/zinc/10/38/16/158103816.db2.gz	QOVWBHJFQIILPO-GFCCVEGCSA-N	0	0	300.336	0.546	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@]1(C)CCS(=O)(=O)C1	ZINC000122525659	158222082	/nfs/dbraw/zinc/22/20/82/158222082.db2.gz	TYKCNLVNPJLFSG-GFCCVEGCSA-N	0	0	313.335	0.605	10	5		DCBERN
Cc1nc(N2CC[C@@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-]	ZINC000150857210	158347466	/nfs/dbraw/zinc/34/74/66/158347466.db2.gz	VPMXWEQAYAREAB-SECBINFHSA-N	0	0	300.340	0.426	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCN(C(N)=O)CC1	ZINC000171400982	158382474	/nfs/dbraw/zinc/38/24/74/158382474.db2.gz	AGAOVNNZOPTIDA-UHFFFAOYSA-N	0	0	307.310	0.525	10	5		DCBERN
CCN1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1=O	ZINC000191534629	158568970	/nfs/dbraw/zinc/56/89/70/158568970.db2.gz	CHRHPDNUDHAZJB-UHFFFAOYSA-N	0	0	306.322	0.679	10	5		DCBERN
COc1ccc(OCCN2C(=O)[C@@H]3C[C@@H]3C2=O)c([N+](=O)[O-])c1	ZINC000359947867	159265248	/nfs/dbraw/zinc/26/52/48/159265248.db2.gz	UMHDZPWUUPWRHO-AOOOYVTPSA-N	0	0	306.274	0.987	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCNC[C@H]2C(F)F)cc1	ZINC000367471187	159339976	/nfs/dbraw/zinc/33/99/76/159339976.db2.gz	ZHRPFVGWCKLJDU-JTQLQIEISA-N	0	0	321.305	0.822	10	5		DCBERN
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1N1CCOCC1	ZINC000408233495	160065790	/nfs/dbraw/zinc/06/57/90/160065790.db2.gz	VDRRZIPYMHSOPS-MFKMUULPSA-N	0	0	308.338	0.716	10	5		DCBERN
Cc1cccc(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)n1	ZINC000133644896	287012418	/nfs/dbraw/zinc/01/24/18/287012418.db2.gz	RNQLYULBPGZOGO-UHFFFAOYSA-N	0	0	304.310	0.994	10	5		DCBERN
CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])o2)CCS1(=O)=O	ZINC000268331106	415195564	/nfs/dbraw/zinc/19/55/64/415195564.db2.gz	FDVHMXGZLXQJQI-UHFFFAOYSA-N	0	0	302.308	0.837	10	5		DCBERN
Cn1cc([C@@]2(C)CN(c3ncc([N+](=O)[O-])c(N)n3)CCO2)cn1	ZINC000268383027	415204388	/nfs/dbraw/zinc/20/43/88/415204388.db2.gz	JZVNCWGCQJJYMY-CYBMUJFWSA-N	0	0	319.325	0.453	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](O)C(C)C	ZINC000158843828	416003718	/nfs/dbraw/zinc/00/37/18/416003718.db2.gz	GASXHOBKVFDDOO-SNVBAGLBSA-N	0	0	318.351	0.899	10	5		DCBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2n[nH]cc21	ZINC000164427279	416017469	/nfs/dbraw/zinc/01/74/69/416017469.db2.gz	XVLOIOMIAUZYHM-SNVBAGLBSA-N	0	0	304.310	0.751	10	5		DCBERN
COc1ccc(C(=O)NCC(=O)N[C@H]2C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000170807653	416034760	/nfs/dbraw/zinc/03/47/60/416034760.db2.gz	SFGHTNHZJMITKP-WPRPVWTQSA-N	0	0	307.306	0.858	10	5		DCBERN
NC(=O)C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000301474926	416083238	/nfs/dbraw/zinc/08/32/38/416083238.db2.gz	NEABNWJCKSNLQF-SECBINFHSA-N	0	0	306.322	0.786	10	5		DCBERN
Cc1cnn(C[C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)CCO2)c1	ZINC000176234065	416122833	/nfs/dbraw/zinc/12/28/33/416122833.db2.gz	ITBIEAAIQSVCRU-ZDUSSCGKSA-N	0	0	320.353	0.697	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCc2c1cccc2O	ZINC000357768301	416130386	/nfs/dbraw/zinc/13/03/86/416130386.db2.gz	WHPHSQMLZDWLBZ-SNVBAGLBSA-N	0	0	303.278	0.696	10	5		DCBERN
Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CN(C2CC2)CCO1	ZINC000180784017	416201263	/nfs/dbraw/zinc/20/12/63/416201263.db2.gz	IMDWZJRSSSQCQH-NSHDSACASA-N	0	0	320.349	0.770	10	5		DCBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H](O)C2CC2)c1	ZINC000443779630	416779972	/nfs/dbraw/zinc/77/99/72/416779972.db2.gz	LKHBHHCBIXAWJD-LBPRGKRZSA-N	0	0	300.336	0.785	10	5		DCBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)NCC2(CO)COC2)c1	ZINC000443771213	416780973	/nfs/dbraw/zinc/78/09/73/416780973.db2.gz	LIVYQAUYCZDUMR-UHFFFAOYSA-N	0	0	316.335	0.023	10	5		DCBERN
C[C@@H]1C[C@H]1N1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1=O	ZINC000371344524	416913613	/nfs/dbraw/zinc/91/36/13/416913613.db2.gz	NJQHMXNWVLUASN-OPRDCNLKSA-N	0	0	316.321	1.059	10	5		DCBERN
CCOC(=O)[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC12COC2	ZINC000450555308	417239510	/nfs/dbraw/zinc/23/95/10/417239510.db2.gz	FQJCTRNQBOGKDN-VIFPVBQESA-N	0	0	310.310	0.344	10	5		DCBERN
CCOc1ccc(C(=O)NCC2(CO)COC2)cc1[N+](=O)[O-]	ZINC000438219506	287368005	/nfs/dbraw/zinc/36/80/05/287368005.db2.gz	MGLZYHOVIPGPEC-UHFFFAOYSA-N	0	0	310.306	0.732	10	5		DCBERN
C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)Oc1ccccc1F	ZINC000361844682	261968079	/nfs/dbraw/zinc/96/80/79/261968079.db2.gz	KQIIZAHESHMJGL-VIFPVBQESA-N	0	0	323.284	0.909	10	5		DCBERN
C[C@@H](CCc1cccn1C)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000358880516	271078667	/nfs/dbraw/zinc/07/86/67/271078667.db2.gz	IOCKTTZCYPVOFF-JTQLQIEISA-N	0	0	306.326	0.662	10	5		DCBERN
CCC(=O)N[C@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1	ZINC000359044256	271093299	/nfs/dbraw/zinc/09/32/99/271093299.db2.gz	XOXCRWBFGBCVBQ-JTQLQIEISA-N	0	0	321.337	0.934	10	5		DCBERN
CCNC(=O)[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000489051002	272056380	/nfs/dbraw/zinc/05/63/80/272056380.db2.gz	SGPIHCZAIGAOHN-VIFPVBQESA-N	0	0	315.351	0.539	10	5		DCBERN
CN1CCOC[C@@H]1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000540959704	287912309	/nfs/dbraw/zinc/91/23/09/287912309.db2.gz	QVKGVWMHWTZOEC-CQSZACIVSA-N	0	0	305.334	0.810	10	5		DCBERN
COc1cccc(C(=O)N[C@H]2CCc3ncnn3C2)c1[N+](=O)[O-]	ZINC000192563572	277452529	/nfs/dbraw/zinc/45/25/29/277452529.db2.gz	SGRSCDZYMFDEKF-VIFPVBQESA-N	0	0	317.305	0.940	10	5		DCBERN
CC[C@H]1COCCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000301325824	288326004	/nfs/dbraw/zinc/32/60/04/288326004.db2.gz	YQVWYBUFUUZXOP-VIFPVBQESA-N	0	0	315.351	0.857	10	5		DCBERN
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)O	ZINC000228410354	521917437	/nfs/dbraw/zinc/91/74/37/521917437.db2.gz	VMUHFZQJPXHZPC-ZETCQYMHSA-N	0	0	318.307	0.041	10	5		DCBERN
CC(=O)N1CSC[C@H]1C(=O)N(C)c1ccc([N+](=O)[O-])nc1	ZINC000330812408	526678804	/nfs/dbraw/zinc/67/88/04/526678804.db2.gz	BZALYZPYNKRHRT-JTQLQIEISA-N	0	0	310.335	0.874	10	5		DCBERN
CCc1n[nH]c(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-]	ZINC000284758018	536001540	/nfs/dbraw/zinc/00/15/40/536001540.db2.gz	OMYGRIFELWXEBI-MNOVXSKESA-N	0	0	323.353	0.425	10	5		DCBERN
CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2[C@@H](C1)NC(=O)N2C	ZINC000284633235	536144192	/nfs/dbraw/zinc/14/41/92/536144192.db2.gz	TUKUEYPKMPYBPN-ZJUUUORDSA-N	0	0	308.342	0.722	10	5		DCBERN
C[C@H](C1CC1)n1[nH]ccc1=NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000255557481	658724818	/nfs/dbraw/zinc/72/48/18/658724818.db2.gz	OACRBJCGRPVFNZ-MRVPVSSYSA-N	0	0	305.298	0.414	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)[C@H](C)O	ZINC000344892997	663080026	/nfs/dbraw/zinc/08/00/26/663080026.db2.gz	WIGVLOQXABNKIG-SFYZADRCSA-N	0	0	304.324	0.651	10	5		DCBERN
CC(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000733557722	666763313	/nfs/dbraw/zinc/76/33/13/666763313.db2.gz	FVKVARPMQAQQOQ-SECBINFHSA-N	0	0	310.262	0.925	10	5		DCBERN
O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1	ZINC000120109846	667259987	/nfs/dbraw/zinc/25/99/87/667259987.db2.gz	ZWJRNDPNOIDLQH-UONOGXRCSA-N	0	0	317.301	0.814	10	5		DCBERN
O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1	ZINC000130201815	669596846	/nfs/dbraw/zinc/59/68/46/669596846.db2.gz	MNNGOEGKNBXTKB-KBPBESRZSA-N	0	0	317.301	0.814	10	5		DCBERN
COC(=O)C1(O)CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000714438606	670185139	/nfs/dbraw/zinc/18/51/39/670185139.db2.gz	GSPWOLXWRBJMHU-UHFFFAOYSA-N	0	0	300.698	0.968	10	5		DCBERN
CNC(=O)C1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1	ZINC000065721432	1173746946	/nfs/dbraw/zinc/74/69/46/1173746946.db2.gz	CTGJZFNJEQJNGW-UHFFFAOYSA-N	0	0	309.326	0.084	10	5		DCBERN
O=C(N[C@@H]1CCC(=O)NC1=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000089755318	1175343816	/nfs/dbraw/zinc/34/38/16/1175343816.db2.gz	QIRWZCVXIDDKMR-SSDOTTSWSA-N	0	0	311.681	0.783	10	5		DCBERN
O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1CCC[C@@H]1O	ZINC000179568017	1185167040	/nfs/dbraw/zinc/16/70/40/1185167040.db2.gz	FIWQWSRRCJPPCO-AAEUAGOBSA-N	0	0	314.363	0.970	10	5		DCBERN
O=[N+]([O-])c1cc(Br)cnc1N1C[C@H](O)[C@H](CO)C1	ZINC000317332281	1190420852	/nfs/dbraw/zinc/42/08/52/1190420852.db2.gz	CJHRCCAHSSQGCB-RCOVLWMOSA-N	0	0	318.127	0.542	10	5		DCBERN
O=C(c1cccc(Cl)c1[N+](=O)[O-])N1C[C@@H](O)[C@H](CO)C1	ZINC000317612255	1190422985	/nfs/dbraw/zinc/42/29/85/1190422985.db2.gz	GLQJEWGNPBFXME-OIBJUYFYSA-N	0	0	300.698	0.673	10	5		DCBERN
O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1C[C@@H](O)[C@H](CO)C1	ZINC000317661656	1190423401	/nfs/dbraw/zinc/42/34/01/1190423401.db2.gz	NAXUEJJBXDOFRX-WRWORJQWSA-N	0	0	300.698	0.673	10	5		DCBERN
O=C(NC[C@@H]1CN2CCN1CC2)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000090698547	295672395	/nfs/dbraw/zinc/67/23/95/295672395.db2.gz	UKZZZCOQJKATJG-LLVKDONJSA-N	0	0	324.768	0.978	10	5		DCBERN
C[C@H](C(=O)N1CC[C@H](NC(N)=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000567175706	291341512	/nfs/dbraw/zinc/34/15/12/291341512.db2.gz	LTFCDPRIMBMDIV-ONGXEEELSA-N	0	0	306.322	0.968	10	5		DCBERN
CC(C)c1ncc(CN(C)C(=O)Cn2cnc([N+](=O)[O-])n2)cn1	ZINC000441395665	240517487	/nfs/dbraw/zinc/51/74/87/240517487.db2.gz	AHNWSSZLVGFZSH-UHFFFAOYSA-N	0	0	319.325	0.758	10	5		DCBERN
COC(=O)[C@@]12CCC[C@@H]1CN(c1ncc([N+](=O)[O-])c(N)n1)C2	ZINC000302165697	533153887	/nfs/dbraw/zinc/15/38/87/533153887.db2.gz	KTSRTKVRJVPGLP-AMIZOPFISA-N	0	0	307.310	0.747	10	5		DCBERN
Cc1n[nH]c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-]	ZINC000285623710	131186831	/nfs/dbraw/zinc/18/68/31/131186831.db2.gz	DPIOVDNPRGHCKY-NXEZZACHSA-N	0	0	309.326	0.171	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CC(O)C2)c(F)c1	ZINC000091524202	395726105	/nfs/dbraw/zinc/72/61/05/395726105.db2.gz	NREKGHSWRIJARO-UHFFFAOYSA-N	0	0	304.299	0.783	10	5		DCBERN
CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000116834354	395847128	/nfs/dbraw/zinc/84/71/28/395847128.db2.gz	VQUKXEHCLMQCTE-SNVBAGLBSA-N	0	0	313.335	0.359	10	5		DCBERN
Cc1cc(C(=O)NCC(=O)N2CC(CO)C2)ccc1[N+](=O)[O-]	ZINC000122817119	395889700	/nfs/dbraw/zinc/88/97/00/395889700.db2.gz	LHKKWGBZHLOQRB-UHFFFAOYSA-N	0	0	307.306	0.084	10	5		DCBERN
NS(=O)(=O)c1cccc(NC[C@H]2CCC[C@H]2O)c1[N+](=O)[O-]	ZINC000272481181	395894307	/nfs/dbraw/zinc/89/43/07/395894307.db2.gz	JJFSVEVCTABGCZ-PSASIEDQSA-N	0	0	315.351	0.815	10	5		DCBERN
CO[C@@H]1CC[C@@H]2OCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@H]2C1	ZINC000245747963	395935142	/nfs/dbraw/zinc/93/51/42/395935142.db2.gz	WXGIHSDPHPKHIQ-WOPDTQHZSA-N	0	0	324.337	0.586	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cn(C)c(=O)n(C)c1=O	ZINC000150739819	395971958	/nfs/dbraw/zinc/97/19/58/395971958.db2.gz	TYMMQAZQPNRBDX-UHFFFAOYSA-N	0	0	318.289	0.553	10	5		DCBERN
CO[C@@H]1CC[C@H]2OCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1	ZINC000247856624	395979446	/nfs/dbraw/zinc/97/94/46/395979446.db2.gz	YFXXXXYKBYDQCC-WCABBAIRSA-N	0	0	310.310	0.726	10	5		DCBERN
C[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1(=O)=O	ZINC000154340876	396036695	/nfs/dbraw/zinc/03/66/95/396036695.db2.gz	JAGVUWXOEJBBRO-GWCFXTLKSA-N	0	0	314.363	0.747	10	5		DCBERN
Cc1cc(C(=O)NC[C@H](C)N2CCOCC2)c(N)c([N+](=O)[O-])c1	ZINC000068513919	396057997	/nfs/dbraw/zinc/05/79/97/396057997.db2.gz	PHTRCINSDFPUMH-NSHDSACASA-N	0	0	322.365	0.936	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(CO)CC1	ZINC000164239913	396087321	/nfs/dbraw/zinc/08/73/21/396087321.db2.gz	GLZMNSQJXCEIOK-UHFFFAOYSA-N	0	0	302.308	0.407	10	5		DCBERN
O=[N+]([O-])c1ccn(CCN2CCO[C@@H](Cn3cccn3)C2)n1	ZINC000176233998	396152478	/nfs/dbraw/zinc/15/24/78/396152478.db2.gz	HDOIJGWDKKFQFF-GFCCVEGCSA-N	0	0	306.326	0.389	10	5		DCBERN
CC[C@H](O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1	ZINC000184383684	396293410	/nfs/dbraw/zinc/29/34/10/396293410.db2.gz	XHYZHTAZLNQCSO-LBPRGKRZSA-N	0	0	322.365	0.706	10	5		DCBERN
O=C(N[C@@]1(CO)CCOC1)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000185268767	396323599	/nfs/dbraw/zinc/32/35/99/396323599.db2.gz	FWJMHBLOTHBKLR-CQSZACIVSA-N	0	0	305.290	0.957	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CCO)[C@H](C)C1	ZINC000188786314	396386532	/nfs/dbraw/zinc/38/65/32/396386532.db2.gz	FSIPKXKSPPDZTL-LLVKDONJSA-N	0	0	323.349	0.742	10	5		DCBERN
C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN1CCO	ZINC000188801054	396386785	/nfs/dbraw/zinc/38/67/85/396386785.db2.gz	QRIZRSLYNLKZOU-LBPRGKRZSA-N	0	0	307.350	0.662	10	5		DCBERN
COCCN1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1=O	ZINC000191234598	396417543	/nfs/dbraw/zinc/41/75/43/396417543.db2.gz	JWKMVTWBNQTXHP-UHFFFAOYSA-N	0	0	311.294	0.509	10	5		DCBERN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CC(O)(c2ccc(F)cc2)C1	ZINC000373373837	396586949	/nfs/dbraw/zinc/58/69/49/396586949.db2.gz	UISSQTXQTXJXGR-UHFFFAOYSA-N	0	0	306.253	0.801	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ncc(C)cc1[N+](=O)[O-]	ZINC000596432734	396774342	/nfs/dbraw/zinc/77/43/42/396774342.db2.gz	FERKHTVSCOCDLZ-SCZZXKLOSA-N	0	0	301.324	0.522	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cn(C)nn1	ZINC000611934847	396951382	/nfs/dbraw/zinc/95/13/82/396951382.db2.gz	HIDJKWWWMWKVFQ-UHFFFAOYSA-N	0	0	311.323	0.510	10	5		DCBERN
CCCc1n[nH]c(C(=O)N[C@H]2CCN(CC)C2=O)c1[N+](=O)[O-]	ZINC000619825182	397197437	/nfs/dbraw/zinc/19/74/37/397197437.db2.gz	JCDVDLGFBJVMQB-VIFPVBQESA-N	0	0	309.326	0.621	10	5		DCBERN
C[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000386342152	397287831	/nfs/dbraw/zinc/28/78/31/397287831.db2.gz	XDZAMXUUEFWAHK-VHSXEESVSA-N	0	0	300.336	0.986	10	5		DCBERN
C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1N1CCOCC1	ZINC000408038345	397344909	/nfs/dbraw/zinc/34/49/09/397344909.db2.gz	KQSPTMOORVEXRQ-WDEREUQCSA-N	0	0	323.353	0.121	10	5		DCBERN
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1c([N+](=O)[O-])ncn1C	ZINC000408310455	397352915	/nfs/dbraw/zinc/35/29/15/397352915.db2.gz	SCLNHPBFBYFIEB-RKDXNWHRSA-N	0	0	302.356	0.336	10	5		DCBERN
COC(=O)C1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC000609301290	397769542	/nfs/dbraw/zinc/76/95/42/397769542.db2.gz	NVCCTIUBLNZNMB-UHFFFAOYSA-N	0	0	311.298	0.034	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC(=O)CC1	ZINC000054257445	158020313	/nfs/dbraw/zinc/02/03/13/158020313.db2.gz	ZFBIGRQPEJDQIV-UHFFFAOYSA-N	0	0	306.322	0.664	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C(N)=O)CC[C@H]1C	ZINC000065750112	158034373	/nfs/dbraw/zinc/03/43/73/158034373.db2.gz	YOZUMKLGZJIVRO-MWLCHTKSSA-N	0	0	323.353	0.602	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCS(C)(=O)=O	ZINC000126273130	158264055	/nfs/dbraw/zinc/26/40/55/158264055.db2.gz	FNFGQTAKWXQTAR-QMMMGPOBSA-N	0	0	315.351	0.851	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCOCC2)C1	ZINC000172761410	158399539	/nfs/dbraw/zinc/39/95/39/158399539.db2.gz	UVCMOJNDRYNAFP-LBPRGKRZSA-N	0	0	320.349	0.845	10	5		DCBERN
CCN1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1=O	ZINC000190645209	158561759	/nfs/dbraw/zinc/56/17/59/158561759.db2.gz	JEXYRIXSQJVRID-UHFFFAOYSA-N	0	0	313.335	0.714	10	5		DCBERN
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCO[C@@H]2CCCC[C@@H]21	ZINC000408026186	160015007	/nfs/dbraw/zinc/01/50/07/160015007.db2.gz	GHOVAIDHJCSWOY-SMDDNHRTSA-N	0	0	321.333	0.927	10	5		DCBERN
C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1	ZINC000408325587	160085204	/nfs/dbraw/zinc/08/52/04/160085204.db2.gz	BXXVFTDBCCDWII-TVQRCGJNSA-N	0	0	310.310	0.348	10	5		DCBERN
CCC(=O)N1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000268553663	415239426	/nfs/dbraw/zinc/23/94/26/415239426.db2.gz	MYYIPNUKEJTWOY-MRVPVSSYSA-N	0	0	307.310	0.512	10	5		DCBERN
CN1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCC1=O	ZINC000134115438	415953687	/nfs/dbraw/zinc/95/36/87/415953687.db2.gz	YJECSIGVCJFHID-SNVBAGLBSA-N	0	0	307.306	0.711	10	5		DCBERN
Cc1nnc([C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)CCO2)[nH]1	ZINC000176270422	416123365	/nfs/dbraw/zinc/12/33/65/416123365.db2.gz	CCNTUPFJJKOQRL-JTQLQIEISA-N	0	0	307.314	0.291	10	5		DCBERN
NS(=O)(=O)c1cc(NC[C@@H](CO)C2CC2)cc([N+](=O)[O-])c1	ZINC000357829874	416138213	/nfs/dbraw/zinc/13/82/13/416138213.db2.gz	SGKQHLOCRBXHAG-VIFPVBQESA-N	0	0	315.351	0.673	10	5		DCBERN
NCc1nc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)no1	ZINC000261613317	416335650	/nfs/dbraw/zinc/33/56/50/416335650.db2.gz	CDLWTBNVUUPVEW-UHFFFAOYSA-N	0	0	318.337	0.759	10	5		DCBERN
C[C@@](O)(CNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CCCCC1	ZINC000360452763	416390732	/nfs/dbraw/zinc/39/07/32/416390732.db2.gz	XGESXOXNKDKWSR-CYBMUJFWSA-N	0	0	311.342	0.634	10	5		DCBERN
COC(=O)[C@@H](C)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000360606013	416398834	/nfs/dbraw/zinc/39/88/34/416398834.db2.gz	YPCBDOMPYRFQHO-SECBINFHSA-N	0	0	316.335	0.918	10	5		DCBERN
COC(=O)c1cc(C)nc(NCCCn2cncn2)c1[N+](=O)[O-]	ZINC000587174591	416521570	/nfs/dbraw/zinc/52/15/70/416521570.db2.gz	IGJZNWUZAALGIC-UHFFFAOYSA-N	0	0	320.309	1.179	10	5		DCBERN
NC(=O)N[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1	ZINC000535713808	416525465	/nfs/dbraw/zinc/52/54/65/416525465.db2.gz	JWQNIGDQEGFHAC-SSDOTTSWSA-N	0	0	322.277	0.206	10	5		DCBERN
COC(=O)c1cc(C)nc(N2C[C@H](F)C[C@@H]2CO)c1[N+](=O)[O-]	ZINC000367815248	416653965	/nfs/dbraw/zinc/65/39/65/416653965.db2.gz	MFXOJXMBEHNCPK-RKDXNWHRSA-N	0	0	313.285	0.994	10	5		DCBERN
O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H]1CCC[C@H]1O	ZINC000457330301	417704748	/nfs/dbraw/zinc/70/47/48/417704748.db2.gz	ZXATYFUXGKWJHV-ZYHUDNBSSA-N	0	0	322.317	0.938	10	5		DCBERN
COC(=O)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)CC(C)C	ZINC000357369472	261532198	/nfs/dbraw/zinc/53/21/98/261532198.db2.gz	HCFMDSJBUAPYGZ-SECBINFHSA-N	0	0	313.314	0.138	10	5		DCBERN
CC1(C)CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]1[C@H]1CCCO1	ZINC000362288686	262020304	/nfs/dbraw/zinc/02/03/04/262020304.db2.gz	RYTOZZARDQUDSX-KOLCDFICSA-N	0	0	309.326	0.602	10	5		DCBERN
O=[N+]([O-])c1c(N2CCN3CCOC[C@@H]3C2)nc2sccn21	ZINC000371803455	275032627	/nfs/dbraw/zinc/03/26/27/275032627.db2.gz	PPJKCLQGYYQTQW-VIFPVBQESA-N	0	0	309.351	0.825	10	5		DCBERN
O=C1CC[C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])CN1	ZINC000301112392	280260435	/nfs/dbraw/zinc/26/04/35/280260435.db2.gz	KBOIUNWDWKWUFX-QMMMGPOBSA-N	0	0	303.278	0.293	10	5		DCBERN
CN1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1=O	ZINC000172617177	341802369	/nfs/dbraw/zinc/80/23/69/341802369.db2.gz	BZGDLKIULPTPJE-LURJTMIESA-N	0	0	305.337	0.165	10	5		DCBERN
COCCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1C	ZINC000191691947	523851376	/nfs/dbraw/zinc/85/13/76/523851376.db2.gz	JWKXDTFUKAYVFJ-NSHDSACASA-N	0	0	322.365	0.970	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@@H](C)O	ZINC000157307895	525472710	/nfs/dbraw/zinc/47/27/10/525472710.db2.gz	RQXVCALJNIAXOW-SECBINFHSA-N	0	0	318.351	0.995	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1C[C@H](O)[C@H](CO)C1	ZINC000317617535	661098948	/nfs/dbraw/zinc/09/89/48/661098948.db2.gz	GZYCXNBOQQTKHS-CPCISQLKSA-N	0	0	300.698	0.673	10	5		DCBERN
CO[C@]1(CNCc2csc([N+](=O)[O-])c2)CCS(=O)(=O)C1	ZINC000721267619	663379950	/nfs/dbraw/zinc/37/99/50/663379950.db2.gz	PJTSJEUDJUVRPM-NSHDSACASA-N	0	0	320.392	0.950	10	5		DCBERN
CCCc1n[nH]c(C(=O)NCC[S@@](=O)CC)c1[N+](=O)[O-]	ZINC000735116593	666956093	/nfs/dbraw/zinc/95/60/93/666956093.db2.gz	QLSGYZOPBPBDNU-FQEVSTJZSA-N	0	0	302.356	0.769	10	5		DCBERN
O=C1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1	ZINC000042093374	669826122	/nfs/dbraw/zinc/82/61/22/669826122.db2.gz	GWMZXEVVSJTESW-UHFFFAOYSA-N	0	0	316.321	0.633	10	5		DCBERN
CC(C)CNC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000042893651	669830253	/nfs/dbraw/zinc/83/02/53/669830253.db2.gz	BYTDUNCGIOPHBZ-STQMWFEESA-N	0	0	311.338	0.944	10	5		DCBERN
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])s1	ZINC000168823390	1158794983	/nfs/dbraw/zinc/79/49/83/1158794983.db2.gz	YADLCSKDIPIJHD-RQJHMYQMSA-N	0	0	300.292	0.405	10	5		DCBERN
Nc1c(Cl)cc(C(=O)N2CCNC(=O)CC2)cc1[N+](=O)[O-]	ZINC000062102196	1172373092	/nfs/dbraw/zinc/37/30/92/1172373092.db2.gz	QWZKUPBUFWKJTN-UHFFFAOYSA-N	0	0	312.713	0.793	10	5		DCBERN
CCOC(=O)C[C@H](O)Cn1nc([N+](=O)[O-])nc1Br	ZINC000231801221	1180556287	/nfs/dbraw/zinc/55/62/87/1180556287.db2.gz	XKAUZBNFZUCEKI-YFKPBYRVSA-N	0	0	323.103	0.263	10	5		DCBERN
Cc1nn(CCC(=O)N2CCC[C@@H]2C(N)=O)c(C)c1[N+](=O)[O-]	ZINC000171099543	1183711114	/nfs/dbraw/zinc/71/11/14/1183711114.db2.gz	RYBSEPNNKNVIHN-SNVBAGLBSA-N	0	0	309.326	0.275	10	5		DCBERN
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1C[C@@H](CO)C1	ZINC000707546157	939273674	/nfs/dbraw/zinc/27/36/74/939273674.db2.gz	MPGQDCDERUXTEM-OCAPTIKFSA-N	0	0	304.299	0.783	10	5		DCBERN
C[C@H](Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)C(=O)N(C)C	ZINC000302730272	230825009	/nfs/dbraw/zinc/82/50/09/230825009.db2.gz	RSDMJLZGTUXPEP-QMMMGPOBSA-N	0	0	315.351	0.887	10	5		DCBERN
CN(CCNS(C)(=O)=O)c1ncc([N+](=O)[O-])cc1Cl	ZINC000301249157	529918084	/nfs/dbraw/zinc/91/80/84/529918084.db2.gz	AJHJKVKTWWYYHS-UHFFFAOYSA-N	0	0	308.747	0.629	10	5		DCBERN
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@H](C)O1	ZINC000015173714	290896034	/nfs/dbraw/zinc/89/60/34/290896034.db2.gz	OVUFBCRNPQJHME-IUCAKERBSA-N	0	0	315.351	0.856	10	5		DCBERN
NC(=O)[C@H]1COCCN1C(=O)CCc1cccc([N+](=O)[O-])c1	ZINC000091781339	193107164	/nfs/dbraw/zinc/10/71/64/193107164.db2.gz	WPFYZVHKEJCWQT-GFCCVEGCSA-N	0	0	307.306	0.240	10	5		DCBERN
O=[N+]([O-])c1ccc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)c([N+](=O)[O-])c1	ZINC000016789859	182060713	/nfs/dbraw/zinc/06/07/13/182060713.db2.gz	NOWXTBJKXVUEJR-SCZZXKLOSA-N	0	0	317.279	0.073	10	5		DCBERN
O=[N+]([O-])c1ccc(OS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000040166332	183042839	/nfs/dbraw/zinc/04/28/39/183042839.db2.gz	GMUAGAJUVKXMQR-SNVBAGLBSA-N	0	0	321.332	0.491	10	5		DCBERN
C[C@H](CNc1nc2sccn2c1[N+](=O)[O-])S(N)(=O)=O	ZINC000348110680	254221519	/nfs/dbraw/zinc/22/15/19/254221519.db2.gz	YCOLTZBWZXKRND-RXMQYKEDSA-N	0	0	305.341	0.393	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCNS(C)(=O)=O	ZINC000124139862	291996069	/nfs/dbraw/zinc/99/60/69/291996069.db2.gz	RJCKVZJNDSYZFF-UHFFFAOYSA-N	0	0	315.351	0.572	10	5		DCBERN
CCC(C)(C)NC(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O	ZINC000042650312	395747428	/nfs/dbraw/zinc/74/74/28/395747428.db2.gz	FOACPSHMGLEHAD-UHFFFAOYSA-N	0	0	310.310	0.160	10	5		DCBERN
CN1CCO[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1	ZINC000194634204	395802471	/nfs/dbraw/zinc/80/24/71/395802471.db2.gz	VDUDNTBWHVARIV-NSHDSACASA-N	0	0	309.322	0.420	10	5		DCBERN
CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000194404236	395796658	/nfs/dbraw/zinc/79/66/58/395796658.db2.gz	HJFWKXSTMYTBGP-SSDOTTSWSA-N	0	0	319.364	0.555	10	5		DCBERN
Cn1cnc([N+](=O)[O-])c1N1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000141344877	395957334	/nfs/dbraw/zinc/95/73/34/395957334.db2.gz	USKCNLIXDZUGDO-NSHDSACASA-N	0	0	323.353	0.404	10	5		DCBERN
Cn1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O	ZINC000150738036	395972098	/nfs/dbraw/zinc/97/20/98/395972098.db2.gz	UJHMPMLEXNPYJG-UHFFFAOYSA-N	0	0	318.289	0.173	10	5		DCBERN
CCOC(=O)c1cnc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n1C	ZINC000278541503	396130269	/nfs/dbraw/zinc/13/02/69/396130269.db2.gz	JVTJZFJDAQSXEQ-UHFFFAOYSA-N	0	0	322.281	0.340	10	5		DCBERN
O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000183339202	396267294	/nfs/dbraw/zinc/26/72/94/396267294.db2.gz	LXKCTVIQHAJHNL-LBPRGKRZSA-N	0	0	323.349	0.877	10	5		DCBERN
COCC(=O)NC1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC000185282073	396323727	/nfs/dbraw/zinc/32/37/27/396323727.db2.gz	ASBREOVPMFTEFP-UHFFFAOYSA-N	0	0	307.306	0.490	10	5		DCBERN
CCCc1n[nH]c(C(=O)N2CCCN(C)C(=O)C2)c1[N+](=O)[O-]	ZINC000190377641	396405888	/nfs/dbraw/zinc/40/58/88/396405888.db2.gz	DEWDZHBUSOVEPC-UHFFFAOYSA-N	0	0	309.326	0.575	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@H]1Nc1c(Cl)cncc1[N+](=O)[O-]	ZINC000596437691	396777446	/nfs/dbraw/zinc/77/74/46/396777446.db2.gz	XXHKHCAGAWVPMF-APPZFPTMSA-N	0	0	321.742	0.289	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1nccc(C)c1[N+](=O)[O-]	ZINC000596431796	396774439	/nfs/dbraw/zinc/77/44/39/396774439.db2.gz	CINITQSCVJFPBP-DTWKUNHWSA-N	0	0	301.324	0.522	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1c(F)cccc1[N+](=O)[O-]	ZINC000596438004	396777225	/nfs/dbraw/zinc/77/72/25/396777225.db2.gz	ZCPMTHXROQJDMS-PSASIEDQSA-N	0	0	304.299	0.958	10	5		DCBERN
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CC1=O	ZINC000611236596	396841843	/nfs/dbraw/zinc/84/18/43/396841843.db2.gz	KXFQQIMPLNDIST-HLTSFMKQSA-N	0	0	307.310	0.067	10	5		DCBERN
CCN1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1=O	ZINC000619802007	397194987	/nfs/dbraw/zinc/19/49/87/397194987.db2.gz	SNDHPQRICHZVCW-LBPRGKRZSA-N	0	0	307.306	0.711	10	5		DCBERN
CCN1CC[C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1=O	ZINC000619801715	397195165	/nfs/dbraw/zinc/19/51/65/397195165.db2.gz	LRDGEULIMHFJEX-JTQLQIEISA-N	0	0	307.306	0.954	10	5		DCBERN
CCN1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1=O	ZINC000619824924	397197918	/nfs/dbraw/zinc/19/79/18/397197918.db2.gz	CJGRBVHIUDEMDB-NSHDSACASA-N	0	0	306.322	0.744	10	5		DCBERN
C[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000386342149	397288412	/nfs/dbraw/zinc/28/84/12/397288412.db2.gz	XDZAMXUUEFWAHK-NXEZZACHSA-N	0	0	300.336	0.986	10	5		DCBERN
CCCCN(CC(N)=O)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000066000450	158034270	/nfs/dbraw/zinc/03/42/70/158034270.db2.gz	CXJGGOJJBDRYGB-UHFFFAOYSA-N	0	0	321.380	0.932	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C	ZINC000068217300	158042417	/nfs/dbraw/zinc/04/24/17/158042417.db2.gz	MGYBFTVMJRJCDR-SCZZXKLOSA-N	0	0	309.326	0.212	10	5		DCBERN
Cc1c(C(=O)N[C@H]2C[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000087899781	158093106	/nfs/dbraw/zinc/09/31/06/158093106.db2.gz	SHRIQUBJSNZKON-WKEGUHRASA-N	0	0	313.335	0.689	10	5		DCBERN
CS(=O)(=O)c1cc(N2CCC[C@@H]2CO)ccc1[N+](=O)[O-]	ZINC000124218698	158239503	/nfs/dbraw/zinc/23/95/03/158239503.db2.gz	ATPUQWNOQRIGBS-SNVBAGLBSA-N	0	0	300.336	0.959	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCn2ncnc21	ZINC000177528695	158447536	/nfs/dbraw/zinc/44/75/36/158447536.db2.gz	ZZXPMKPRKHHRBO-SNVBAGLBSA-N	0	0	319.325	0.733	10	5		DCBERN
Cc1cc(C(=O)NCC(=O)NCC[C@@H](C)O)ccc1[N+](=O)[O-]	ZINC000183634924	158500596	/nfs/dbraw/zinc/50/05/96/158500596.db2.gz	XRCPPHVTKIBTBP-SNVBAGLBSA-N	0	0	309.322	0.520	10	5		DCBERN
C[C@H]1CC[C@@H](C(N)=O)CN1c1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000193713936	287061493	/nfs/dbraw/zinc/06/14/93/287061493.db2.gz	BLZOMZNXVKGPCN-WCBMZHEXSA-N	0	0	306.322	0.784	10	5		DCBERN
CN1CCO[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1	ZINC000104792686	415628046	/nfs/dbraw/zinc/62/80/46/415628046.db2.gz	NOGQUZXTIZMCFY-ZDUSSCGKSA-N	0	0	308.338	0.725	10	5		DCBERN
CN(C)c1ncc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1	ZINC000125929384	415870675	/nfs/dbraw/zinc/87/06/75/415870675.db2.gz	XSOCEJYECXMLPT-UHFFFAOYSA-N	0	0	318.293	0.251	10	5		DCBERN
Cc1ccn2c(c1)nnc2NC(=O)c1c([N+](=O)[O-])cnn1C	ZINC000126258428	415872944	/nfs/dbraw/zinc/87/29/44/415872944.db2.gz	RHLNTRAKMCAANF-UHFFFAOYSA-N	0	0	301.266	0.932	10	5		DCBERN
O=C(NC[C@@H](O)CN1CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC000154103979	415989886	/nfs/dbraw/zinc/98/98/86/415989886.db2.gz	DRGRCZFGBWUVPE-CYBMUJFWSA-N	0	0	309.322	0.018	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@@H](C)CO	ZINC000158776521	416003657	/nfs/dbraw/zinc/00/36/57/416003657.db2.gz	KMXCGFQYQHQWDZ-IUCAKERBSA-N	0	0	318.351	0.899	10	5		DCBERN
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](CO)C1CC1	ZINC000357783400	416131857	/nfs/dbraw/zinc/13/18/57/416131857.db2.gz	ONEBEZRHAYHPRY-VIFPVBQESA-N	0	0	315.351	0.673	10	5		DCBERN
Nc1c(C(=O)NC[C@H]2CN(C3CC3)CCO2)cccc1[N+](=O)[O-]	ZINC000176705186	416132419	/nfs/dbraw/zinc/13/24/19/416132419.db2.gz	ZXHZXEXMROBPSQ-NSHDSACASA-N	0	0	320.349	0.770	10	5		DCBERN
CNc1ncnc2c1cnn2C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000193755248	416320090	/nfs/dbraw/zinc/32/00/90/416320090.db2.gz	HITJDXMKESTAKW-SECBINFHSA-N	0	0	318.297	0.034	10	5		DCBERN
CCOc1cc(O)ccc1NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000360572095	416396731	/nfs/dbraw/zinc/39/67/31/416396731.db2.gz	BHVBMBLZQKHGOQ-UHFFFAOYSA-N	0	0	307.266	0.929	10	5		DCBERN
C/C=C/C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)OCC	ZINC000361547032	416446324	/nfs/dbraw/zinc/44/63/24/416446324.db2.gz	CFGQWQKVBFZOJE-RXNUUUNCSA-N	0	0	310.310	0.805	10	5		DCBERN
COC(=O)C1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC1	ZINC000613524356	416680765	/nfs/dbraw/zinc/68/07/65/416680765.db2.gz	LMHVTTNLFYKBJL-UHFFFAOYSA-N	0	0	305.290	0.828	10	5		DCBERN
CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000450540601	417236405	/nfs/dbraw/zinc/23/64/05/417236405.db2.gz	QDESOOJHYSOPIE-SNVBAGLBSA-N	0	0	300.340	0.460	10	5		DCBERN
CSc1cc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)ccn1	ZINC000357840299	261591000	/nfs/dbraw/zinc/59/10/00/261591000.db2.gz	TUJDTVIKCFGWPV-UHFFFAOYSA-N	0	0	308.323	0.620	10	5		DCBERN
COc1cccc2c1CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)C2	ZINC000359895931	261779612	/nfs/dbraw/zinc/77/96/12/261779612.db2.gz	PKTXZUAPVKIDNJ-UHFFFAOYSA-N	0	0	317.305	0.780	10	5		DCBERN
COc1cc(CN2CC[C@@H](NC(N)=O)C2)c([N+](=O)[O-])cc1F	ZINC000362325073	262022578	/nfs/dbraw/zinc/02/25/78/262022578.db2.gz	MWZDUBHGNSLPMI-SECBINFHSA-N	0	0	312.301	0.985	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(N3CCN([C@@H]4CCOC4)CC3)nn21	ZINC000362403019	262029624	/nfs/dbraw/zinc/02/96/24/262029624.db2.gz	RUXCPXFFHYDLQP-LLVKDONJSA-N	0	0	318.337	0.548	10	5		DCBERN
CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1ccc([N+](=O)[O-])cn1	ZINC000362656051	262056508	/nfs/dbraw/zinc/05/65/08/262056508.db2.gz	KHJKJOKQDFMAAN-RKDXNWHRSA-N	0	0	310.310	0.858	10	5		DCBERN
C[C@@H](C1CC1)n1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cn1	ZINC000490965821	272085823	/nfs/dbraw/zinc/08/58/23/272085823.db2.gz	GFQXVDQJUUNNED-QMMMGPOBSA-N	0	0	305.298	0.993	10	5		DCBERN
COCC(=O)NC1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1	ZINC000492691014	272142530	/nfs/dbraw/zinc/14/25/30/272142530.db2.gz	RIYSJCPDPROACU-DAXSKMNVSA-N	0	0	319.317	0.581	10	5		DCBERN
CCOc1ccc(C(=O)N[C@H](CO)C(=O)OC)cc1[N+](=O)[O-]	ZINC000507511301	272395498	/nfs/dbraw/zinc/39/54/98/272395498.db2.gz	QOZZYIKZCSVHBX-SECBINFHSA-N	0	0	312.278	0.257	10	5		DCBERN
CO[C@H]1CC[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1	ZINC000530408817	287747551	/nfs/dbraw/zinc/74/75/51/287747551.db2.gz	CNMKLXIIMNCGGS-IUCAKERBSA-N	0	0	301.324	0.836	10	5		DCBERN
Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)CN2CCOCC2)c1	ZINC000132386842	301849892	/nfs/dbraw/zinc/84/98/92/301849892.db2.gz	WHVONLBIWOPGBO-GFCCVEGCSA-N	0	0	323.349	0.326	10	5		DCBERN
CCCC(=O)N[C@@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1	ZINC000130544273	519875700	/nfs/dbraw/zinc/87/57/00/519875700.db2.gz	USEIGHZAHGUUQS-SECBINFHSA-N	0	0	309.326	0.839	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCS1(=O)=O	ZINC000153436564	527312743	/nfs/dbraw/zinc/31/27/43/527312743.db2.gz	CSMVZQTUGNCDNL-SNVBAGLBSA-N	0	0	313.335	0.605	10	5		DCBERN
COC(=O)c1cn(CN2CCc3c2cccc3[N+](=O)[O-])nn1	ZINC000178919024	661990124	/nfs/dbraw/zinc/99/01/24/661990124.db2.gz	BWIWIIVMBKHUQB-UHFFFAOYSA-N	0	0	303.278	0.993	10	5		DCBERN
O=C(COC(=O)Cn1cnc([N+](=O)[O-])n1)OCc1ccccc1	ZINC000731073125	664833975	/nfs/dbraw/zinc/83/39/75/664833975.db2.gz	AXJYGIJFEJGSTN-UHFFFAOYSA-N	0	0	320.261	0.473	10	5		DCBERN
CC[S@](=O)CCNC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000733878453	666823399	/nfs/dbraw/zinc/82/33/99/666823399.db2.gz	IGSWNNBARJSWJS-FQEVSTJZSA-N	0	0	300.336	0.858	10	5		DCBERN
O=C(NCC1CC1)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000042891895	669830229	/nfs/dbraw/zinc/83/02/29/669830229.db2.gz	QUFPXXKMTGNXRZ-STQMWFEESA-N	0	0	309.322	0.698	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC1N=NC(=S)N1C	ZINC000109055272	670877941	/nfs/dbraw/zinc/87/79/41/670877941.db2.gz	VVFCMZUKIMGUOJ-UHFFFAOYSA-N	0	0	322.350	0.688	10	5		DCBERN
CCOC(=O)C[C@@H](O)Cn1nc([N+](=O)[O-])nc1Br	ZINC000231801218	1180555810	/nfs/dbraw/zinc/55/58/10/1180555810.db2.gz	XKAUZBNFZUCEKI-RXMQYKEDSA-N	0	0	323.103	0.263	10	5		DCBERN
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](O)[C@H](CO)C1	ZINC000317723334	1190422743	/nfs/dbraw/zinc/42/27/43/1190422743.db2.gz	UWTMCQVWSWDKSO-WRWORJQWSA-N	0	0	300.698	0.673	10	5		DCBERN
CNC(=O)[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000178860836	529919047	/nfs/dbraw/zinc/91/90/47/529919047.db2.gz	IYCSIMDJMGFEEE-CYBMUJFWSA-N	0	0	309.322	0.860	10	5		DCBERN
O=[N+]([O-])c1cc(F)ccc1OC[C@@H](O)CN1CCOCC1	ZINC000153893614	237025070	/nfs/dbraw/zinc/02/50/70/237025070.db2.gz	PROYQANVSGWQIE-NSHDSACASA-N	0	0	300.286	0.806	10	5		DCBERN
Cc1c(CC(=O)N2CCOC[C@H]2C(N)=O)cccc1[N+](=O)[O-]	ZINC000091781516	193107155	/nfs/dbraw/zinc/10/71/55/193107155.db2.gz	JAJHHHCPUJUUPE-LBPRGKRZSA-N	0	0	307.306	0.158	10	5		DCBERN
CC(=O)c1ccc(NC[C@@H](C)S(N)(=O)=O)c([N+](=O)[O-])c1	ZINC000348128481	254222416	/nfs/dbraw/zinc/22/24/16/254222416.db2.gz	ZNHNKVNRNWMKMX-SSDOTTSWSA-N	0	0	301.324	0.886	10	5		DCBERN
COCCNC(=O)CNC(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000074405894	184982717	/nfs/dbraw/zinc/98/27/17/184982717.db2.gz	KUNRTFNFSFCDKQ-UHFFFAOYSA-N	0	0	301.324	0.457	10	5		DCBERN
CCOC(=O)CC[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])nc1C	ZINC000089804900	395715348	/nfs/dbraw/zinc/71/53/48/395715348.db2.gz	CCGVVBZCHREWLL-VIFPVBQESA-N	0	0	312.326	0.948	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)CCO	ZINC000097444992	395758013	/nfs/dbraw/zinc/75/80/13/395758013.db2.gz	MPOAPCTUOSGDGR-SECBINFHSA-N	0	0	318.351	0.900	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cc1	ZINC000113299143	395829202	/nfs/dbraw/zinc/82/92/02/395829202.db2.gz	JJGFCTKWKIICJA-SECBINFHSA-N	0	0	323.334	0.480	10	5		DCBERN
NC(=O)c1ccc(N[C@H]2CCc3ncnn3C2)c([N+](=O)[O-])c1	ZINC000108947804	395795489	/nfs/dbraw/zinc/79/54/89/395795489.db2.gz	BXGSRUKQJGYMBC-VIFPVBQESA-N	0	0	302.294	0.712	10	5		DCBERN
C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C(N)=O)O1	ZINC000246306202	395947007	/nfs/dbraw/zinc/94/70/07/395947007.db2.gz	QESPYZGFLCPDHY-OASPWFOLSA-N	0	0	309.322	0.203	10	5		DCBERN
C[C@@H]1C(=O)NCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000248994210	396001339	/nfs/dbraw/zinc/00/13/39/396001339.db2.gz	GKRKMGHEAZSOSV-VXGBXAGGSA-N	0	0	323.349	0.545	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](O)C1CC1	ZINC000071304965	396112672	/nfs/dbraw/zinc/11/26/72/396112672.db2.gz	QPGGNQXEQVHOLG-JTQLQIEISA-N	0	0	316.335	0.653	10	5		DCBERN
O=c1ccc([N+](=O)[O-])cn1CCN1CCO[C@]2(CCOC2)C1	ZINC000185193076	396321274	/nfs/dbraw/zinc/32/12/74/396321274.db2.gz	YYCMXNXMSNAWCF-CQSZACIVSA-N	0	0	309.322	0.248	10	5		DCBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@](O)(C(N)=O)C1	ZINC000286448025	396396253	/nfs/dbraw/zinc/39/62/53/396396253.db2.gz	IRIXFTJGUKZCRV-HQPKTYMTSA-N	0	0	319.317	0.447	10	5		DCBERN
COc1ccc(C(=O)N2CCCN(C)C(=O)C2)cc1[N+](=O)[O-]	ZINC000190631950	396408676	/nfs/dbraw/zinc/40/86/76/396408676.db2.gz	BBXKAPQTXDRNNR-UHFFFAOYSA-N	0	0	307.306	0.908	10	5		DCBERN
COCCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1=O	ZINC000191275587	396417368	/nfs/dbraw/zinc/41/73/68/396417368.db2.gz	GMOWWUQRYZBZEN-UHFFFAOYSA-N	0	0	321.333	0.916	10	5		DCBERN
CN1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O	ZINC000188228691	396380255	/nfs/dbraw/zinc/38/02/55/396380255.db2.gz	CMECOGBLIQREFU-UHFFFAOYSA-N	0	0	313.335	0.448	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C)n1	ZINC000596437587	396777684	/nfs/dbraw/zinc/77/76/84/396777684.db2.gz	WXWHDDUICXSGLX-WCBMZHEXSA-N	0	0	301.324	0.522	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3COC[C@H](C2)O3)s1	ZINC000619753465	397189602	/nfs/dbraw/zinc/18/96/02/397189602.db2.gz	RPTSWJHJIYUZSC-OCAPTIKFSA-N	0	0	320.348	0.445	10	5		DCBERN
CCN1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1=O	ZINC000619801744	397195174	/nfs/dbraw/zinc/19/51/74/397195174.db2.gz	MQKQKOOCJOJFKU-SNVBAGLBSA-N	0	0	307.306	0.711	10	5		DCBERN
CO[C@@](C)(CO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000594483361	397561243	/nfs/dbraw/zinc/56/12/43/397561243.db2.gz	AUKPKDRRZXJSDH-LLVKDONJSA-N	0	0	304.324	0.271	10	5		DCBERN
CS(=O)(=O)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1	ZINC000609797148	397792624	/nfs/dbraw/zinc/79/26/24/397792624.db2.gz	ZDMXZLRIBYWQLG-SECBINFHSA-N	0	0	300.340	0.508	10	5		DCBERN
Cc1nccn1C[C@H]1CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000610524036	397828714	/nfs/dbraw/zinc/82/87/14/397828714.db2.gz	ULFZMYOMLAGZPZ-LLVKDONJSA-N	0	0	319.325	0.382	10	5		DCBERN
COC[C@](C)(CO)NCc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000610519000	397828985	/nfs/dbraw/zinc/82/89/85/397828985.db2.gz	TZWMMQJSLCMBIZ-AWEZNQCLSA-N	0	0	312.322	0.948	10	5		DCBERN
CN1CCCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1=O	ZINC000191950830	158572297	/nfs/dbraw/zinc/57/22/97/158572297.db2.gz	IGOAGTYQXNFDQP-UHFFFAOYSA-N	0	0	306.322	0.969	10	5		DCBERN
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1	ZINC000408054574	160024242	/nfs/dbraw/zinc/02/42/42/160024242.db2.gz	SNUIZSYXMPBASG-JTQLQIEISA-N	0	0	322.243	0.858	10	5		DCBERN
CO[C@H]1C[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)N(C)C1	ZINC000408053949	160024271	/nfs/dbraw/zinc/02/42/71/160024271.db2.gz	JMEZAXBBACLNHA-JSGCOSHPSA-N	0	0	320.349	0.594	10	5		DCBERN
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@](O)(C(F)(F)F)C1	ZINC000408054575	160024548	/nfs/dbraw/zinc/02/45/48/160024548.db2.gz	SNUIZSYXMPBASG-SNVBAGLBSA-N	0	0	322.243	0.858	10	5		DCBERN
Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000408149508	160048320	/nfs/dbraw/zinc/04/83/20/160048320.db2.gz	IUMUWZBTYGJHEQ-HNNXBMFYSA-N	0	0	318.333	0.919	10	5		DCBERN
C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1	ZINC000408325585	160085773	/nfs/dbraw/zinc/08/57/73/160085773.db2.gz	BXXVFTDBCCDWII-NOZJJQNGSA-N	0	0	310.310	0.348	10	5		DCBERN
CCNC(=O)C1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1	ZINC000121291448	286954700	/nfs/dbraw/zinc/95/47/00/286954700.db2.gz	FUPKXBBZZGXVOD-UHFFFAOYSA-N	0	0	320.349	0.626	10	5		DCBERN
CC(C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(N)=O	ZINC000107311452	415664339	/nfs/dbraw/zinc/66/43/39/415664339.db2.gz	RPNJXLSTPLFSJT-MRVPVSSYSA-N	0	0	307.353	0.445	10	5		DCBERN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(Nc2cccnn2)CC1	ZINC000152957675	415972551	/nfs/dbraw/zinc/97/25/51/415972551.db2.gz	AVDIFEVCWCSEMU-UHFFFAOYSA-N	0	0	317.309	0.825	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](O)C(C)C	ZINC000158863083	416003122	/nfs/dbraw/zinc/00/31/22/416003122.db2.gz	IRPRNKZFBZZQBY-JTQLQIEISA-N	0	0	318.351	0.899	10	5		DCBERN
CCN1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1=O	ZINC000302721262	416098942	/nfs/dbraw/zinc/09/89/42/416098942.db2.gz	LKWBZPQIWFZBCN-UHFFFAOYSA-N	0	0	313.335	0.624	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000177981809	416154152	/nfs/dbraw/zinc/15/41/52/416154152.db2.gz	KNCLJUQVMNJYNM-BXUZGUMPSA-N	0	0	308.338	0.945	10	5		DCBERN
CN1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1=O	ZINC000192659530	416310502	/nfs/dbraw/zinc/31/05/02/416310502.db2.gz	PSZVMICKKVKFBE-SSDOTTSWSA-N	0	0	319.364	0.555	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](O)COCC(C)C)n1	ZINC000191847578	416289524	/nfs/dbraw/zinc/28/95/24/416289524.db2.gz	FZHZSIMUWRVICV-JTQLQIEISA-N	0	0	314.342	0.575	10	5		DCBERN
COc1ccc([N+](=O)[O-])c(C(=O)N2CC(n3ccnn3)C2)c1	ZINC000361908187	416520180	/nfs/dbraw/zinc/52/01/80/416520180.db2.gz	NQMZJMJFURWUGS-UHFFFAOYSA-N	0	0	303.278	0.892	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(C2CCOCC2)CC1	ZINC000558636889	416783244	/nfs/dbraw/zinc/78/32/44/416783244.db2.gz	OSIBXWGZHKXTDV-UHFFFAOYSA-N	0	0	323.353	0.852	10	5		DCBERN
C[C@@H]1C[C@H]1N1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1=O	ZINC000371344523	416912785	/nfs/dbraw/zinc/91/27/85/416912785.db2.gz	NJQHMXNWVLUASN-KXUCPTDWSA-N	0	0	316.321	1.059	10	5		DCBERN
C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1=O	ZINC000371344526	416912878	/nfs/dbraw/zinc/91/28/78/416912878.db2.gz	NJQHMXNWVLUASN-UTLUCORTSA-N	0	0	316.321	1.059	10	5		DCBERN
C[C@H](Cc1cnn(C)c1)Nc1ccc2ncc([N+](=O)[O-])n2n1	ZINC000450839329	417273810	/nfs/dbraw/zinc/27/38/10/417273810.db2.gz	GJPVPENVRVGHTN-SECBINFHSA-N	0	0	301.310	1.414	10	5		DCBERN
CCOC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC12COC2	ZINC000450573928	417237998	/nfs/dbraw/zinc/23/79/98/417237998.db2.gz	YMYXAAXSEIVUHS-JTQLQIEISA-N	0	0	308.294	0.401	10	5		DCBERN
CO[C@@](C)(CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1	ZINC000456120464	417626327	/nfs/dbraw/zinc/62/63/27/417626327.db2.gz	GEJDRMSZGRAOTC-AWEZNQCLSA-N	0	0	319.321	0.864	10	5		DCBERN
NS(=O)(=O)c1ccc(NC[C@H](CO)C2CC2)c([N+](=O)[O-])c1	ZINC000357787279	261585664	/nfs/dbraw/zinc/58/56/64/261585664.db2.gz	VCPKLDFVDSLTIZ-SECBINFHSA-N	0	0	315.351	0.673	10	5		DCBERN
Cc1c(NC(=O)[C@@H](C)N2CC(=O)N(C)C2)cccc1[N+](=O)[O-]	ZINC000360505302	261839262	/nfs/dbraw/zinc/83/92/62/261839262.db2.gz	UDBUHOFONUUEOU-SNVBAGLBSA-N	0	0	306.322	0.962	10	5		DCBERN
COC[C@@](C)(NC(=O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F	ZINC000362206063	262009646	/nfs/dbraw/zinc/00/96/46/262009646.db2.gz	YYYMFSGXUKWFHH-SECBINFHSA-N	0	0	310.232	0.875	10	5		DCBERN
CC1(C)CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1[C@H]1CCCO1	ZINC000362288687	262019760	/nfs/dbraw/zinc/01/97/60/262019760.db2.gz	RYTOZZARDQUDSX-MWLCHTKSSA-N	0	0	309.326	0.602	10	5		DCBERN
Cc1nn(CCC(=O)NC[C@H](CO)C2CC2)c(C)c1[N+](=O)[O-]	ZINC000358321008	271049774	/nfs/dbraw/zinc/04/97/74/271049774.db2.gz	OVZQEVSXOHDYQY-GFCCVEGCSA-N	0	0	310.354	0.933	10	5		DCBERN
CC(=O)N1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1	ZINC000556932002	288404169	/nfs/dbraw/zinc/40/41/69/288404169.db2.gz	XJMXVUJNOBGLSX-GFCCVEGCSA-N	0	0	321.333	0.958	10	5		DCBERN
CN(CC1(CO)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000188964134	522597818	/nfs/dbraw/zinc/59/78/18/522597818.db2.gz	XCQZYNBRMLGYAA-UHFFFAOYSA-N	0	0	300.336	0.988	10	5		DCBERN
CC[S@@](=O)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000733964558	666832683	/nfs/dbraw/zinc/83/26/83/666832683.db2.gz	QLTOQZAQUKRAMT-OAQYLSRUSA-N	0	0	314.319	0.822	10	5		DCBERN
O=C(N[C@@H]1CCC(=O)NC1=O)c1cccc([N+](=O)[O-])c1Cl	ZINC000160453171	685137925	/nfs/dbraw/zinc/13/79/25/685137925.db2.gz	XBDYWLGTTOGGBE-SSDOTTSWSA-N	0	0	311.681	0.783	10	5		DCBERN
O=[N+]([O-])c1cc(Br)cnc1N1C[C@H](O)[C@@H](CO)C1	ZINC000317332277	1190421226	/nfs/dbraw/zinc/42/12/26/1190421226.db2.gz	CJHRCCAHSSQGCB-MUWHJKNJSA-N	0	0	318.127	0.542	10	5		DCBERN
CN(C)c1ncccc1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000176784460	529814608	/nfs/dbraw/zinc/81/46/08/529814608.db2.gz	FFUMOEUUXKTICW-UHFFFAOYSA-N	0	0	304.310	0.915	10	5		DCBERN
C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCS1(=O)=O	ZINC000173850234	198259870	/nfs/dbraw/zinc/25/98/70/198259870.db2.gz	UUKSONASQSHYGG-SNVBAGLBSA-N	0	0	312.347	0.783	10	5		DCBERN
O=C(CSc1nc(O)cc(=O)[nH]1)Nc1ccc([N+](=O)[O-])cc1	ZINC000005715352	181276011	/nfs/dbraw/zinc/27/60/11/181276011.db2.gz	JYHUJLOEQJUPBN-UHFFFAOYSA-N	0	0	322.302	0.669	10	5		DCBERN
O=C(NCC1(CCO)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000186519134	237317185	/nfs/dbraw/zinc/31/71/85/237317185.db2.gz	PCMFPUBWYOXSGT-UHFFFAOYSA-N	0	0	307.306	0.812	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](O)COCC(C)C)n1	ZINC000191847590	237454071	/nfs/dbraw/zinc/45/40/71/237454071.db2.gz	FZHZSIMUWRVICV-SNVBAGLBSA-N	0	0	314.342	0.575	10	5		DCBERN
CN1CCN(N=c2nc[nH]c(N3CCCC3)c2[N+](=O)[O-])CC1	ZINC000040608982	183108616	/nfs/dbraw/zinc/10/86/16/183108616.db2.gz	HZNZERRGYIRPLR-UHFFFAOYSA-N	0	0	307.358	0.559	10	5		DCBERN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@](O)(C(F)(F)F)C1	ZINC000408036101	296301924	/nfs/dbraw/zinc/30/19/24/296301924.db2.gz	PJBMBVFEVIMUPJ-SECBINFHSA-N	0	0	308.216	0.847	10	5		DCBERN
Cc1ccc(C(=O)NC[C@H](C)S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000350618280	254319142	/nfs/dbraw/zinc/31/91/42/254319142.db2.gz	CNNQLCJKRRWPLZ-QMMMGPOBSA-N	0	0	301.324	0.310	10	5		DCBERN
O=C1[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)N1OCc1ccc([N+](=O)[O-])cc1	ZINC000013464143	395688589	/nfs/dbraw/zinc/68/85/89/395688589.db2.gz	DXDZEWCKZWYYFF-RNJOBUHISA-N	0	0	316.269	0.965	10	5		DCBERN
CC(C)n1nnnc1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O	ZINC000195516513	395830275	/nfs/dbraw/zinc/83/02/75/395830275.db2.gz	GOMGMTQLQFFVEY-UHFFFAOYSA-N	0	0	315.293	0.920	10	5		DCBERN
NS(=O)(=O)c1cnc(NCC2CCOCC2)c([N+](=O)[O-])c1	ZINC000116885194	395847950	/nfs/dbraw/zinc/84/79/50/395847950.db2.gz	ZFHHIRUWHIJXBD-UHFFFAOYSA-N	0	0	316.339	0.476	10	5		DCBERN
CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC	ZINC000053993764	395892154	/nfs/dbraw/zinc/89/21/54/395892154.db2.gz	UTAHSJRLSFEVDA-JTQLQIEISA-N	0	0	302.308	0.825	10	5		DCBERN
C[C@@H](CO)[C@@H](C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000151175209	395981398	/nfs/dbraw/zinc/98/13/98/395981398.db2.gz	FWSBPTXIGRCVJZ-VHSXEESVSA-N	0	0	309.322	0.458	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)CO	ZINC000160356350	396074090	/nfs/dbraw/zinc/07/40/90/396074090.db2.gz	YRYMVPRUPGWFPM-UHFFFAOYSA-N	0	0	318.351	0.900	10	5		DCBERN
Cn1cc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)nn1	ZINC000611945805	396955414	/nfs/dbraw/zinc/95/54/14/396955414.db2.gz	CHCNCLJFLKJWBD-UHFFFAOYSA-N	0	0	305.250	0.382	10	5		DCBERN
CCN1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C1=O	ZINC000619802960	397196053	/nfs/dbraw/zinc/19/60/53/397196053.db2.gz	SNCHLADRVUWLJD-SNVBAGLBSA-N	0	0	309.326	0.227	10	5		DCBERN
CCN1CC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1=O	ZINC000619825268	397197518	/nfs/dbraw/zinc/19/75/18/397197518.db2.gz	JQVYALFHRINCKR-LLVKDONJSA-N	0	0	317.305	0.822	10	5		DCBERN
COC[C@](C)(CO)NC(=O)CCNc1ccccc1[N+](=O)[O-]	ZINC000613533815	397274729	/nfs/dbraw/zinc/27/47/29/397274729.db2.gz	GRZGPKRRUTVFRA-AWEZNQCLSA-N	0	0	311.338	0.910	10	5		DCBERN
NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2C[C@H]3CC[C@@H](C2)O3)c1	ZINC000610410956	397819278	/nfs/dbraw/zinc/81/92/78/397819278.db2.gz	MCMYKPKSGTZGPR-PHIMTYICSA-N	0	0	313.335	0.610	10	5		DCBERN
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCNC(=O)CC1	ZINC000054257971	158020207	/nfs/dbraw/zinc/02/02/07/158020207.db2.gz	KQGWCXSGQLVGAX-JTQLQIEISA-N	0	0	306.322	0.744	10	5		DCBERN
CS(=O)(=O)c1cc(N2CC[C@H](CO)C2)ccc1[N+](=O)[O-]	ZINC000125405393	158255535	/nfs/dbraw/zinc/25/55/35/158255535.db2.gz	ONHMCFRKJLMYAO-VIFPVBQESA-N	0	0	300.336	0.817	10	5		DCBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)c1cnn2c1CCCC2	ZINC000127664167	158275770	/nfs/dbraw/zinc/27/57/70/158275770.db2.gz	UZEXKMAEFQDEHR-UHFFFAOYSA-N	0	0	304.310	0.754	10	5		DCBERN
CNC(=O)[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(C)C	ZINC000178687623	158461437	/nfs/dbraw/zinc/46/14/37/158461437.db2.gz	NPWSSZQLONTWOC-CYBMUJFWSA-N	0	0	309.322	0.860	10	5		DCBERN
Cc1ccc(Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1	ZINC000186575688	158531616	/nfs/dbraw/zinc/53/16/16/158531616.db2.gz	CNFHDPKAAHPIKU-UHFFFAOYSA-N	0	0	302.290	0.916	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)O[C@H](COC)C2)n1	ZINC000191899246	158572728	/nfs/dbraw/zinc/57/27/28/158572728.db2.gz	UAMLVGWFAQRWEN-UWVGGRQHSA-N	0	0	312.326	0.687	10	5		DCBERN
Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN2CCOC[C@H]2C1	ZINC000367127670	159315467	/nfs/dbraw/zinc/31/54/67/159315467.db2.gz	UVYHQOYSMHGRLY-SECBINFHSA-N	0	0	324.312	0.473	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000408073314	160029520	/nfs/dbraw/zinc/02/95/20/160029520.db2.gz	PZSUYWMFPANUCY-SNVBAGLBSA-N	0	0	321.337	0.793	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)n1	ZINC000408377000	160095327	/nfs/dbraw/zinc/09/53/27/160095327.db2.gz	YVHCUTXLPQFGAG-MWLCHTKSSA-N	0	0	322.321	0.539	10	5		DCBERN
Cc1nn(C)c(C)c1CCNC(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000065779966	286904613	/nfs/dbraw/zinc/90/46/13/286904613.db2.gz	VSEHXQQZJUJBAS-UHFFFAOYSA-N	0	0	320.353	0.891	10	5		DCBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)NC(=O)NCC(C)C)c1=O	ZINC000127295732	286976836	/nfs/dbraw/zinc/97/68/36/286976836.db2.gz	GJMARMAQWREFMN-UHFFFAOYSA-N	0	0	310.310	0.547	10	5		DCBERN
C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCC1=O	ZINC000276489387	415480286	/nfs/dbraw/zinc/48/02/86/415480286.db2.gz	PRZBLMXOXRSOQE-QMMMGPOBSA-N	0	0	313.335	0.658	10	5		DCBERN
CCNC(=O)C1CN(C(=O)COc2ccccc2[N+](=O)[O-])C1	ZINC000176429383	416125336	/nfs/dbraw/zinc/12/53/36/416125336.db2.gz	PIWPYNULBIQEEV-UHFFFAOYSA-N	0	0	307.306	0.568	10	5		DCBERN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1CN2CCN1CC2	ZINC000178621761	416166560	/nfs/dbraw/zinc/16/65/60/416166560.db2.gz	PCKKJEMAIMCEBI-RGDDUWESSA-N	0	0	316.361	0.724	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)n1	ZINC000191775996	416288946	/nfs/dbraw/zinc/28/89/46/416288946.db2.gz	MFFHZMQJRCVPKU-BDAKNGLRSA-N	0	0	309.326	0.537	10	5		DCBERN
COc1ccc(NC(=O)[C@@H](C)N2CC(=O)N(C)C2)c([N+](=O)[O-])c1	ZINC000360489298	416392194	/nfs/dbraw/zinc/39/21/94/416392194.db2.gz	GFGMYNDOPLVCFZ-SECBINFHSA-N	0	0	322.321	0.662	10	5		DCBERN
Nc1nc(NCC[C@@H]2COc3ccccc3O2)ncc1[N+](=O)[O-]	ZINC000360783862	416410299	/nfs/dbraw/zinc/41/02/99/416410299.db2.gz	WUQCRRKGXDLLRP-SECBINFHSA-N	0	0	317.305	1.031	10	5		DCBERN
C/C=C/C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)OCC	ZINC000361547031	416446030	/nfs/dbraw/zinc/44/60/30/416446030.db2.gz	CFGQWQKVBFZOJE-GFAPAMAISA-N	0	0	310.310	0.805	10	5		DCBERN
COC(=O)c1cc(C)nc(N2C[C@@H](F)C[C@@H]2CO)c1[N+](=O)[O-]	ZINC000367815246	416653758	/nfs/dbraw/zinc/65/37/58/416653758.db2.gz	MFXOJXMBEHNCPK-DTWKUNHWSA-N	0	0	313.285	0.994	10	5		DCBERN
CC1(C)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@]2(CCOC2)O1	ZINC000559050606	416800107	/nfs/dbraw/zinc/80/01/07/416800107.db2.gz	VHPWFRUXCFWCCW-ZDUSSCGKSA-N	0	0	310.310	0.728	10	5		DCBERN
CC(=O)[C@@](C)(O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000575830243	417554853	/nfs/dbraw/zinc/55/48/53/417554853.db2.gz	POJFEWXZTAQBTH-AWEZNQCLSA-N	0	0	308.338	0.452	10	5		DCBERN
NC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC(=O)N(C2CC2)C1	ZINC000301479051	229690566	/nfs/dbraw/zinc/69/05/66/229690566.db2.gz	CQVZZYLWFRZPHU-QMMMGPOBSA-N	0	0	304.306	0.869	10	5		DCBERN
C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)Oc1cccc(F)c1	ZINC000358902943	261712518	/nfs/dbraw/zinc/71/25/18/261712518.db2.gz	NUCRVBWFKHWKMU-SECBINFHSA-N	0	0	323.284	0.909	10	5		DCBERN
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H](CO)C1CC1	ZINC000359777686	261767068	/nfs/dbraw/zinc/76/70/68/261767068.db2.gz	JOGQTUCCFDXPGO-GFCCVEGCSA-N	0	0	321.333	0.459	10	5		DCBERN
O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCc1nc[nH]n1	ZINC000362602101	262051368	/nfs/dbraw/zinc/05/13/68/262051368.db2.gz	NFFYCGCRZNWUBU-UHFFFAOYSA-N	0	0	319.277	0.343	10	5		DCBERN
CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1ncccc1[N+](=O)[O-]	ZINC000362662092	262056944	/nfs/dbraw/zinc/05/69/44/262056944.db2.gz	HHVMSPNOJCWSRP-RKDXNWHRSA-N	0	0	310.310	0.858	10	5		DCBERN
O=[N+]([O-])c1cccc([C@@H](O)CN2CCN3CCOC[C@@H]3C2)c1	ZINC000363796741	262131260	/nfs/dbraw/zinc/13/12/60/262131260.db2.gz	CWGIARLXFPUSPA-GJZGRUSLSA-N	0	0	307.350	0.645	10	5		DCBERN
O=[N+]([O-])c1c(N2CCN3CCOC[C@H]3C2)nc2sccn21	ZINC000371803454	275032558	/nfs/dbraw/zinc/03/25/58/275032558.db2.gz	PPJKCLQGYYQTQW-SECBINFHSA-N	0	0	309.351	0.825	10	5		DCBERN
Cc1ccccc1[C@@H](CO)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000537786906	287873044	/nfs/dbraw/zinc/87/30/44/287873044.db2.gz	JXKWPSVFRLIWCM-LLVKDONJSA-N	0	0	305.294	0.345	10	5		DCBERN
CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@]2(CCOC2)O1	ZINC000408081975	281147135	/nfs/dbraw/zinc/14/71/35/281147135.db2.gz	UZHZBTSJHXTJDP-ZANVPECISA-N	0	0	310.310	0.728	10	5		DCBERN
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])[C@H]2C1	ZINC000285828632	290168062	/nfs/dbraw/zinc/16/80/62/290168062.db2.gz	PHFVZQQGDRBYMD-STQMWFEESA-N	0	0	321.333	0.846	10	5		DCBERN
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC(=O)N(C)C2)cc1C	ZINC000408170494	301425157	/nfs/dbraw/zinc/42/51/57/301425157.db2.gz	FCQWUHJQVQVLFV-UHFFFAOYSA-N	0	0	313.335	0.632	10	5		DCBERN
CC(=O)N1CC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1	ZINC000576258795	341836636	/nfs/dbraw/zinc/83/66/36/341836636.db2.gz	LQTVMFIAKNLLOS-LBPRGKRZSA-N	0	0	320.349	0.991	10	5		DCBERN
CNC(=O)C1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1	ZINC000186189288	524052066	/nfs/dbraw/zinc/05/20/66/524052066.db2.gz	BJJDWLRBKSKCOP-UHFFFAOYSA-N	0	0	302.290	0.894	10	5		DCBERN
Cc1cnn(C[C@@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)c1	ZINC000155903244	526264690	/nfs/dbraw/zinc/26/46/90/526264690.db2.gz	ABVMEHOYGGDGMY-JTQLQIEISA-N	0	0	320.309	0.364	10	5		DCBERN
COCCOC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000732496856	664938905	/nfs/dbraw/zinc/93/89/05/664938905.db2.gz	DQZHDNHCSZNLSH-SECBINFHSA-N	0	0	312.278	0.982	10	5		DCBERN
Cc1nc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)no1	ZINC000173399279	198211586	/nfs/dbraw/zinc/21/15/86/198211586.db2.gz	HAYBVUNJUFNLPJ-UHFFFAOYSA-N	0	0	312.307	0.906	10	5		DCBERN
C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1CCO	ZINC000187273897	200086473	/nfs/dbraw/zinc/08/64/73/200086473.db2.gz	VRCWFFSDUIDJPA-GFCCVEGCSA-N	0	0	307.350	0.662	10	5		DCBERN
C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1O	ZINC000299900450	291251291	/nfs/dbraw/zinc/25/12/91/291251291.db2.gz	VKUBMJDVWAVVDS-BXKDBHETSA-N	0	0	300.336	0.986	10	5		DCBERN
C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000190979251	296260624	/nfs/dbraw/zinc/26/06/24/296260624.db2.gz	RRNOSIUHGPYMCL-SECBINFHSA-N	0	0	313.335	0.494	10	5		DCBERN
O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@@H](Cn2cccn2)C1	ZINC000111076707	194389265	/nfs/dbraw/zinc/38/92/65/194389265.db2.gz	GLHTXKGZQVHRHL-SNVBAGLBSA-N	0	0	306.278	0.926	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(N3CCO[C@@]4(CCOC4)C3)nn21	ZINC000302225364	285185583	/nfs/dbraw/zinc/18/55/83/285185583.db2.gz	RIHQUVJMJDWXTB-ZDUSSCGKSA-N	0	0	305.294	0.633	10	5		DCBERN
Cc1c(C(=O)NC[C@@H](O)CN2CCOCC2)cccc1[N+](=O)[O-]	ZINC000154116088	396031149	/nfs/dbraw/zinc/03/11/49/396031149.db2.gz	WJUXLLHVBBHDLB-GFCCVEGCSA-N	0	0	323.349	0.326	10	5		DCBERN
C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N1CCOCC1	ZINC000178163215	396190375	/nfs/dbraw/zinc/19/03/75/396190375.db2.gz	BUJCAPHFPMFDEY-JTQLQIEISA-N	0	0	308.338	0.628	10	5		DCBERN
COC[C@](C)(CCO)NC(=O)CNc1ccccc1[N+](=O)[O-]	ZINC000182852715	396255375	/nfs/dbraw/zinc/25/53/75/396255375.db2.gz	JLLLPMCVKDSNKW-AWEZNQCLSA-N	0	0	311.338	0.910	10	5		DCBERN
C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000183184689	396264823	/nfs/dbraw/zinc/26/48/23/396264823.db2.gz	GZGYULAIGHIMNT-DDNLTXGXSA-N	0	0	312.394	0.702	10	5		DCBERN
Nc1ccc(C(=O)N2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-]	ZINC000183835456	396275923	/nfs/dbraw/zinc/27/59/23/396275923.db2.gz	QAVYJDQLPRMPIH-AWEZNQCLSA-N	0	0	307.306	0.809	10	5		DCBERN
CCOC(=O)CN(C(=O)Cn1ccc([N+](=O)[O-])n1)C(C)(C)C	ZINC000187473937	396370637	/nfs/dbraw/zinc/37/06/37/396370637.db2.gz	LQTBLYHPBWACEN-UHFFFAOYSA-N	0	0	312.326	0.982	10	5		DCBERN
CN1C(=O)CN(C(=O)Cn2cnc([N+](=O)[O-])n2)c2ccccc21	ZINC000530894071	396585820	/nfs/dbraw/zinc/58/58/20/396585820.db2.gz	DQKAXENGBXHJCA-UHFFFAOYSA-N	0	0	316.277	0.196	10	5		DCBERN
NC(=O)[C@]1(O)CCCN(c2c(Cl)cncc2[N+](=O)[O-])C1	ZINC000312497372	396765159	/nfs/dbraw/zinc/76/51/59/396765159.db2.gz	QEGAEMWKLLPQTD-NSHDSACASA-N	0	0	300.702	0.460	10	5		DCBERN
C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CC1=O	ZINC000611236599	396842031	/nfs/dbraw/zinc/84/20/31/396842031.db2.gz	KXFQQIMPLNDIST-VGMNWLOBSA-N	0	0	307.310	0.067	10	5		DCBERN
COc1c(C(=O)N2CC[C@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-]	ZINC000619450226	397132528	/nfs/dbraw/zinc/13/25/28/397132528.db2.gz	SCZFGFGSNUHLSO-HNNXBMFYSA-N	0	0	319.317	0.956	10	5		DCBERN
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2cc[nH]n2)c1	ZINC000377809070	397145281	/nfs/dbraw/zinc/14/52/81/397145281.db2.gz	KZKQAKAHUGMRJR-WCQYABFASA-N	0	0	306.326	0.712	10	5		DCBERN
CCN1CC[C@H](Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])C1=O	ZINC000619794670	397194021	/nfs/dbraw/zinc/19/40/21/397194021.db2.gz	RNFUIFZXXBJHKK-NSHDSACASA-N	0	0	306.322	0.987	10	5		DCBERN
CCN1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O	ZINC000619801760	397194908	/nfs/dbraw/zinc/19/49/08/397194908.db2.gz	NIHMRHSELUAPCM-VIFPVBQESA-N	0	0	321.289	0.674	10	5		DCBERN
Cc1nn(C)c(C(=O)N2CCN(C3CC3)C(=O)C2)c1[N+](=O)[O-]	ZINC000407954485	397336135	/nfs/dbraw/zinc/33/61/35/397336135.db2.gz	FOPUFHAXCOJCPT-UHFFFAOYSA-N	0	0	307.310	0.084	10	5		DCBERN
CC(C)NC(=O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000064243928	158033208	/nfs/dbraw/zinc/03/32/08/158033208.db2.gz	QGXMQGFSZYNHRN-UHFFFAOYSA-N	0	0	321.380	0.801	10	5		DCBERN
Cn1nccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000066327674	158036025	/nfs/dbraw/zinc/03/60/25/158036025.db2.gz	PIROGPOLDJFHSS-UHFFFAOYSA-N	0	0	302.337	0.868	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CN(C2CC2)CCO1	ZINC000114856790	158157111	/nfs/dbraw/zinc/15/71/11/158157111.db2.gz	JUVNNXOSSJLORU-GFCCVEGCSA-N	0	0	323.353	0.079	10	5		DCBERN
Nc1c(C(=O)NC[C@@]2(CCO)CCOC2)cccc1[N+](=O)[O-]	ZINC000119101442	158182324	/nfs/dbraw/zinc/18/23/24/158182324.db2.gz	VKTNIVKJRIPEFM-CQSZACIVSA-N	0	0	309.322	0.696	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000177981842	158452235	/nfs/dbraw/zinc/45/22/35/158452235.db2.gz	KNCLJUQVMNJYNM-FZMZJTMJSA-N	0	0	308.338	0.945	10	5		DCBERN
COc1ccc(C(=O)N2CCCNC(=O)[C@@H]2C)cc1[N+](=O)[O-]	ZINC000191764182	158570592	/nfs/dbraw/zinc/57/05/92/158570592.db2.gz	HBSGCARKZPMENG-VIFPVBQESA-N	0	0	307.306	0.954	10	5		DCBERN
C[C@@H](C(N)=O)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1	ZINC000302041639	286788644	/nfs/dbraw/zinc/78/86/44/286788644.db2.gz	NVSXEWSRZRAQNZ-JTQLQIEISA-N	0	0	308.338	0.083	10	5		DCBERN
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCO[C@H]2CCCC[C@H]21	ZINC000408026184	160014899	/nfs/dbraw/zinc/01/48/99/160014899.db2.gz	GHOVAIDHJCSWOY-RISCZKNCSA-N	0	0	321.333	0.927	10	5		DCBERN
CN1CCO[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@H]21	ZINC000408296639	160079210	/nfs/dbraw/zinc/07/92/10/160079210.db2.gz	FNGUJCWBXMLHIE-NEPJUHHUSA-N	0	0	324.312	0.471	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@]23CCOC3)n1	ZINC000408426393	160106253	/nfs/dbraw/zinc/10/62/53/160106253.db2.gz	SNWRUNWPKVABDH-CYBMUJFWSA-N	0	0	310.310	0.443	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1	ZINC000131862616	287002598	/nfs/dbraw/zinc/00/25/98/287002598.db2.gz	PWDPCCPXZYOULO-NXEZZACHSA-N	0	0	309.326	0.260	10	5		DCBERN
NC(=O)[C@H]1CCC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1	ZINC000132882097	287007616	/nfs/dbraw/zinc/00/76/16/287007616.db2.gz	VKEDNZGIJCZLGX-VHSXEESVSA-N	0	0	309.326	0.342	10	5		DCBERN
O=[N+]([O-])c1ccc2nc(S(=O)(=O)[C@H]3CCC[NH2+]C3)[n-]c2c1	ZINC000095092095	415547316	/nfs/dbraw/zinc/54/73/16/415547316.db2.gz	JVUVGBICYZUMPK-VIFPVBQESA-N	0	0	310.335	0.997	10	5		DCBERN
O=C([O-])[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC[NH2+]1	ZINC000095078158	415549311	/nfs/dbraw/zinc/54/93/11/415549311.db2.gz	YBGDRQDFKINYEU-NSHDSACASA-N	0	0	303.278	0.401	10	5		DCBERN
CN1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCC1=O	ZINC000134127428	415953828	/nfs/dbraw/zinc/95/38/28/415953828.db2.gz	ZCDPBRAYCSAZIM-JTQLQIEISA-N	0	0	307.306	0.711	10	5		DCBERN
COC(=O)CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000298668525	416021281	/nfs/dbraw/zinc/02/12/81/416021281.db2.gz	SGEZJKDQLNZTOB-UHFFFAOYSA-N	0	0	302.308	0.826	10	5		DCBERN
CCc1n[nH]c(C(=O)N2CC(OCCCOC)C2)c1[N+](=O)[O-]	ZINC000176511956	416127416	/nfs/dbraw/zinc/12/74/16/416127416.db2.gz	JPZKYMMKYUUFJS-UHFFFAOYSA-N	0	0	312.326	0.758	10	5		DCBERN
Nc1c(C(=O)N2CC[C@@H](N3CCOCC3)C2)cccc1[N+](=O)[O-]	ZINC000176919785	416137546	/nfs/dbraw/zinc/13/75/46/416137546.db2.gz	ATZOLDKSMNZVTC-LLVKDONJSA-N	0	0	320.349	0.724	10	5		DCBERN
CCc1nc(C(C)(C)NC(=O)Cn2ccc([N+](=O)[O-])n2)no1	ZINC000441702295	416679680	/nfs/dbraw/zinc/67/96/80/416679680.db2.gz	PLLKILLIKRVIEK-UHFFFAOYSA-N	0	0	308.298	0.788	10	5		DCBERN
COCCO[C@@H]1C[C@H](CO)CN(c2ccc([N+](=O)[O-])nc2)C1	ZINC000447672694	417018733	/nfs/dbraw/zinc/01/87/33/417018733.db2.gz	QZIUWHZKXULVPP-WCQYABFASA-N	0	0	311.338	0.840	10	5		DCBERN
CO[C@H]1COCC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1	ZINC000450698027	417259696	/nfs/dbraw/zinc/25/96/96/417259696.db2.gz	IXEXYPDAAYYSKT-UWVGGRQHSA-N	0	0	307.310	1.101	10	5		DCBERN
O=C(COc1ccccc1[N+](=O)[O-])N1CCN2CCOC[C@@H]2C1	ZINC000363836524	262133759	/nfs/dbraw/zinc/13/37/59/262133759.db2.gz	UXAZLDLPGSYVBW-LBPRGKRZSA-N	0	0	321.333	0.517	10	5		DCBERN
Cc1nnc(CN2CCN(c3c([N+](=O)[O-])ncn3C)CC2)[nH]1	ZINC000359099933	271094792	/nfs/dbraw/zinc/09/47/92/271094792.db2.gz	PJZDKZHETFEPFI-UHFFFAOYSA-N	0	0	306.330	0.077	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(CCCO)c1	ZINC000359605373	271130607	/nfs/dbraw/zinc/13/06/07/271130607.db2.gz	PCUBTUCYRDZKJY-UHFFFAOYSA-N	0	0	305.294	0.750	10	5		DCBERN
CNc1c(C(=O)N2CC(n3ccnn3)C2)cccc1[N+](=O)[O-]	ZINC000360924099	271166598	/nfs/dbraw/zinc/16/65/98/271166598.db2.gz	GOMHKDTWFBLXNP-UHFFFAOYSA-N	0	0	302.294	0.925	10	5		DCBERN
NC(=O)N[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1	ZINC000535713811	287837801	/nfs/dbraw/zinc/83/78/01/287837801.db2.gz	JWQNIGDQEGFHAC-ZETCQYMHSA-N	0	0	322.277	0.206	10	5		DCBERN
C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCS1(=O)=O	ZINC000185519280	288260511	/nfs/dbraw/zinc/26/05/11/288260511.db2.gz	SNOGXEJMIOGHAQ-MRVPVSSYSA-N	0	0	313.335	0.317	10	5		DCBERN
Cc1cccc(C(=O)NC[C@H](O)CN2CCOCC2)c1[N+](=O)[O-]	ZINC000154129610	301955882	/nfs/dbraw/zinc/95/58/82/301955882.db2.gz	PLLIEXDGCPJIPH-LBPRGKRZSA-N	0	0	323.349	0.326	10	5		DCBERN
NC(=O)c1ccc(=O)n(Cc2cc([N+](=O)[O-])ccc2Cl)n1	ZINC000172024649	664615005	/nfs/dbraw/zinc/61/50/05/664615005.db2.gz	CXLZOFFQJFUDHM-UHFFFAOYSA-N	0	0	308.681	0.952	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)NCC[C@H](O)c1ccccc1	ZINC000742823913	667799864	/nfs/dbraw/zinc/79/98/64/667799864.db2.gz	DHVYAXOPQAOIQD-NSHDSACASA-N	0	0	305.294	0.426	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)OCc1noc2c1CCCC2	ZINC000731242558	685322350	/nfs/dbraw/zinc/32/23/50/685322350.db2.gz	HMXWJUSVLVSYAS-UHFFFAOYSA-N	0	0	307.266	0.797	10	5		DCBERN
O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCCCO	ZINC000052125829	1171771464	/nfs/dbraw/zinc/77/14/64/1171771464.db2.gz	OFUUHENFCFPJIF-UHFFFAOYSA-N	0	0	300.292	0.512	10	5		DCBERN
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCc1c[nH]cn1	ZINC000126536865	1177247266	/nfs/dbraw/zinc/24/72/66/1177247266.db2.gz	BKYZNMLJBGPYBF-UHFFFAOYSA-N	0	0	300.271	0.936	10	5		DCBERN
CNC(=O)[C@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC000050709672	770280173	/nfs/dbraw/zinc/28/01/73/770280173.db2.gz	QVOLBTHOJQXPOC-YFKPBYRVSA-N	0	0	300.702	0.695	10	5		DCBERN
CN1CCO[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000074773786	191356903	/nfs/dbraw/zinc/35/69/03/191356903.db2.gz	XLKDXILUOAUWJQ-NSHDSACASA-N	0	0	315.351	0.204	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000005513818	181251978	/nfs/dbraw/zinc/25/19/78/181251978.db2.gz	QMTSXVNPMPHTMN-JTQLQIEISA-N	0	0	305.333	0.556	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)n1	ZINC000191824069	237454719	/nfs/dbraw/zinc/45/47/19/237454719.db2.gz	DGTAIAROERDNEV-JTQLQIEISA-N	0	0	322.243	0.951	10	5		DCBERN
O=C(NCCNC(=O)c1ccccc1)c1[nH]ncc1[N+](=O)[O-]	ZINC000159640420	291235331	/nfs/dbraw/zinc/23/53/31/291235331.db2.gz	ORDFTKCCYHDDFY-UHFFFAOYSA-N	0	0	303.278	0.478	10	5		DCBERN
Cc1ccc(NC(=O)C(=O)NCc2ccnn2C)cc1[N+](=O)[O-]	ZINC000041880170	183223765	/nfs/dbraw/zinc/22/37/65/183223765.db2.gz	HGXZICRBAUFOCK-UHFFFAOYSA-N	0	0	317.305	0.892	10	5		DCBERN
CNC(=O)[C@@H]1CCCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C	ZINC000104362233	194002186	/nfs/dbraw/zinc/00/21/86/194002186.db2.gz	JNVPWYONEWUIBX-NSHDSACASA-N	0	0	323.353	0.535	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCn3ncnc32)s1	ZINC000069700880	184838411	/nfs/dbraw/zinc/83/84/11/184838411.db2.gz	UKSRAQFZOHVHGC-UHFFFAOYSA-N	0	0	315.336	0.847	10	5		DCBERN
COC(=O)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000108275633	395787035	/nfs/dbraw/zinc/78/70/35/395787035.db2.gz	ZGBQAIVWJBOAPX-SECBINFHSA-N	0	0	314.319	0.778	10	5		DCBERN
COc1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1[N+](=O)[O-]	ZINC000194725791	395805826	/nfs/dbraw/zinc/80/58/26/395805826.db2.gz	XYOKUUANYLQWNR-NSHDSACASA-N	0	0	309.322	0.664	10	5		DCBERN
C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1N1CCOCC1	ZINC000122652920	395887935	/nfs/dbraw/zinc/88/79/35/395887935.db2.gz	GAKJVVXZZYATBM-MWLCHTKSSA-N	0	0	309.326	0.111	10	5		DCBERN
CNC(=O)[C@H]1CCCN1C(=O)COc1ccccc1[N+](=O)[O-]	ZINC000053318645	395880461	/nfs/dbraw/zinc/88/04/61/395880461.db2.gz	QBLTULBHSYJWBP-LLVKDONJSA-N	0	0	307.306	0.711	10	5		DCBERN
Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000141345047	395957355	/nfs/dbraw/zinc/95/73/55/395957355.db2.gz	USKCNLIXDZUGDO-LLVKDONJSA-N	0	0	323.353	0.404	10	5		DCBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H](Oc2cccnc2)C1	ZINC000151533996	395987662	/nfs/dbraw/zinc/98/76/62/395987662.db2.gz	HORQDKXEELTSJV-LBPRGKRZSA-N	0	0	317.305	0.866	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1CNC(=O)C1([NH3+])CCOCC1	ZINC000261946090	396082635	/nfs/dbraw/zinc/08/26/35/396082635.db2.gz	YINQXKPHIWMYHL-UHFFFAOYSA-N	0	0	309.322	0.728	10	5		DCBERN
CN1C[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O	ZINC000074863456	396172902	/nfs/dbraw/zinc/17/29/02/396172902.db2.gz	BUOLOFLRZRVDRE-VIFPVBQESA-N	0	0	313.335	0.351	10	5		DCBERN
Cc1ccc([N+](=O)[O-])c(N2CC[C@H](NS(C)(=O)=O)C2)n1	ZINC000178228020	396192077	/nfs/dbraw/zinc/19/20/77/396192077.db2.gz	UQLOAPXANWWGED-VIFPVBQESA-N	0	0	300.340	0.426	10	5		DCBERN
Nc1ccc(C(=O)N2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-]	ZINC000183835435	396276169	/nfs/dbraw/zinc/27/61/69/396276169.db2.gz	QAVYJDQLPRMPIH-CQSZACIVSA-N	0	0	307.306	0.809	10	5		DCBERN
Cc1c(F)cc(S(=O)(=O)N2CC[C@H](O)C2)cc1[N+](=O)[O-]	ZINC000184860150	396308588	/nfs/dbraw/zinc/30/85/88/396308588.db2.gz	VWERFRZSHJIVEA-QMMMGPOBSA-N	0	0	304.299	0.798	10	5		DCBERN
CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC	ZINC000267873939	396358086	/nfs/dbraw/zinc/35/80/86/396358086.db2.gz	DNOLWNJWGPYRMK-JTQLQIEISA-N	0	0	302.308	0.825	10	5		DCBERN
CCN1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1=O	ZINC000190652722	396409540	/nfs/dbraw/zinc/40/95/40/396409540.db2.gz	FVTNAIZUBBFPNJ-UHFFFAOYSA-N	0	0	313.335	0.546	10	5		DCBERN
NC(=O)C1(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCC1	ZINC000611034117	396810729	/nfs/dbraw/zinc/81/07/29/396810729.db2.gz	DQDAAVJYAMTAMD-UHFFFAOYSA-N	0	0	313.335	0.422	10	5		DCBERN
CCN1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1=O	ZINC000619801743	397195190	/nfs/dbraw/zinc/19/51/90/397195190.db2.gz	MQKQKOOCJOJFKU-JTQLQIEISA-N	0	0	307.306	0.711	10	5		DCBERN
COC(=O)c1cnc(N2CCN3CCOC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000364583349	397224293	/nfs/dbraw/zinc/22/42/93/397224293.db2.gz	RYAHJOYAIYYMCQ-LLVKDONJSA-N	0	0	322.321	0.297	10	5		DCBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCOC[C@H]1O	ZINC000599493293	397458220	/nfs/dbraw/zinc/45/82/20/397458220.db2.gz	MVGFELYWWHYHHK-WCBMZHEXSA-N	0	0	302.308	0.023	10	5		DCBERN
C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C(F)(F)F)O1	ZINC000610398706	397818079	/nfs/dbraw/zinc/81/80/79/397818079.db2.gz	MZERLZYXECWVSD-BQBZGAKWSA-N	0	0	323.231	0.365	10	5		DCBERN
C[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000401582850	533676074	/nfs/dbraw/zinc/67/60/74/533676074.db2.gz	LBTSMCIRIZVIGN-NXEZZACHSA-N	0	0	300.336	0.986	10	5		DCBERN
Cc1sc(C(=O)N2CCN(C(=O)CO)CC2)cc1[N+](=O)[O-]	ZINC000089548091	158098235	/nfs/dbraw/zinc/09/82/35/158098235.db2.gz	IYKADGDREMVNGB-UHFFFAOYSA-N	0	0	313.335	0.241	10	5		DCBERN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CCN1CC2	ZINC000090698708	158105446	/nfs/dbraw/zinc/10/54/46/158105446.db2.gz	WPJXGIPPVYMTJY-VFQAQYNWSA-N	0	0	316.361	0.724	10	5		DCBERN
NC(=O)[C@@H]1COCCN1CCCOc1ccc([N+](=O)[O-])cc1	ZINC000092228689	158112755	/nfs/dbraw/zinc/11/27/55/158112755.db2.gz	CXKZCKMIZGRPPK-ZDUSSCGKSA-N	0	0	309.322	0.550	10	5		DCBERN
COc1cccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)n1	ZINC000128640853	158282550	/nfs/dbraw/zinc/28/25/50/158282550.db2.gz	GPYDDKDGDMFXPI-UHFFFAOYSA-N	0	0	305.294	0.901	10	5		DCBERN
CN1CCO[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000171094172	158379739	/nfs/dbraw/zinc/37/97/39/158379739.db2.gz	LVILFFVPVYGWBD-QMMMGPOBSA-N	0	0	321.380	0.265	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2[C@H]2CCCO2)n1	ZINC000408105998	160037142	/nfs/dbraw/zinc/03/71/42/160037142.db2.gz	RPOBZKNOJJNQKZ-GHMZBOCLSA-N	0	0	310.310	0.348	10	5		DCBERN
CCc1n[nH]c(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)c1[N+](=O)[O-]	ZINC000408298900	160079225	/nfs/dbraw/zinc/07/92/25/160079225.db2.gz	RGBLMQXZIOCGHK-ZJUUUORDSA-N	0	0	309.326	0.035	10	5		DCBERN
C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1	ZINC000408325588	160085552	/nfs/dbraw/zinc/08/55/52/160085552.db2.gz	BXXVFTDBCCDWII-ZANVPECISA-N	0	0	310.310	0.348	10	5		DCBERN
Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(CNC(=O)C2)C1	ZINC000408456020	160111660	/nfs/dbraw/zinc/11/16/60/160111660.db2.gz	ZLYCQKOQEVQUGI-AWEZNQCLSA-N	0	0	304.306	0.529	10	5		DCBERN
CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1=O	ZINC000121552422	286955537	/nfs/dbraw/zinc/95/55/37/286955537.db2.gz	YNXSYWQVKOSHKZ-UHFFFAOYSA-N	0	0	305.337	0.119	10	5		DCBERN
Cc1cnc(N2CC[C@@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])c1	ZINC000266206956	415138288	/nfs/dbraw/zinc/13/82/88/415138288.db2.gz	LEXWGABLXSQNIC-SECBINFHSA-N	0	0	300.340	0.426	10	5		DCBERN
O=C(NC[C@H](O)CN1CCOCC1)c1ccccc1[N+](=O)[O-]	ZINC000154103410	415988689	/nfs/dbraw/zinc/98/86/89/415988689.db2.gz	UYSZCNYTTNZONR-NSHDSACASA-N	0	0	309.322	0.018	10	5		DCBERN
Cc1noc([C@@H]2COCCN2CCn2ccc([N+](=O)[O-])n2)n1	ZINC000161005697	416010998	/nfs/dbraw/zinc/01/09/98/416010998.db2.gz	WGLYVGKUOXJVOX-JTQLQIEISA-N	0	0	308.298	0.556	10	5		DCBERN
C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N1CCOCC1	ZINC000180524197	416197060	/nfs/dbraw/zinc/19/70/60/416197060.db2.gz	XNOCSFDLVOVIAU-SECBINFHSA-N	0	0	309.326	0.023	10	5		DCBERN
COCC(=O)NC1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1	ZINC000192552129	416308581	/nfs/dbraw/zinc/30/85/81/416308581.db2.gz	FMERXUCCJRNJJU-UHFFFAOYSA-N	0	0	307.306	0.490	10	5		DCBERN
Cn1ccc(CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)n1	ZINC000360133030	416373098	/nfs/dbraw/zinc/37/30/98/416373098.db2.gz	IQLUKMVPHLZLIZ-UHFFFAOYSA-N	0	0	311.323	0.588	10	5		DCBERN
C[S@@](=O)C1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCC1	ZINC000435664091	416531625	/nfs/dbraw/zinc/53/16/25/416531625.db2.gz	RFCFKTNJHLXNGN-NRFANRHFSA-N	0	0	309.351	1.351	10	5		DCBERN
COC(=O)COc1ccc(C[N@H+](C)CCCO)cc1[N+](=O)[O-]	ZINC000442968470	416723525	/nfs/dbraw/zinc/72/35/25/416723525.db2.gz	WXTCUWNGWXTKPM-UHFFFAOYSA-N	0	0	312.322	0.961	10	5		DCBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)NCC2(O)CCC2)c1	ZINC000443767537	416781136	/nfs/dbraw/zinc/78/11/36/416781136.db2.gz	ASYAHQKLBYXMDW-UHFFFAOYSA-N	0	0	300.336	0.929	10	5		DCBERN
C[C@@H](CN1CCCC1=O)Nc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000194107602	261145111	/nfs/dbraw/zinc/14/51/11/261145111.db2.gz	WDDVAKXGNZJVRU-QMMMGPOBSA-N	0	0	307.310	0.512	10	5		DCBERN
CCCc1n[nH]c(C(=O)N2CCN3CCOC[C@H]3C2)c1[N+](=O)[O-]	ZINC000363851872	262134310	/nfs/dbraw/zinc/13/43/10/262134310.db2.gz	IRYQQTAIKYMMDC-SNVBAGLBSA-N	0	0	323.353	0.427	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)CC[C@@H]2C1	ZINC000408047129	279157646	/nfs/dbraw/zinc/15/76/46/279157646.db2.gz	ZGFYZUXXYSFDQP-SNVBAGLBSA-N	0	0	304.306	0.745	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@@H](C(=O)C2CC2)C1	ZINC000548387471	288138586	/nfs/dbraw/zinc/13/85/86/288138586.db2.gz	HVXPYLSCTDDWLW-LLVKDONJSA-N	0	0	322.321	0.306	10	5		DCBERN
CCc1nnc([C@@H]2CN(c3c([N+](=O)[O-])c(C)nn3C)CCO2)[nH]1	ZINC000131627117	522139009	/nfs/dbraw/zinc/13/90/09/522139009.db2.gz	CVOXKKIDNXSCGL-VIFPVBQESA-N	0	0	321.341	0.895	10	5		DCBERN
C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C(N)=O)O1	ZINC000157448257	524799302	/nfs/dbraw/zinc/79/93/02/524799302.db2.gz	FSKSCJISESEGSC-BXKDBHETSA-N	0	0	307.306	0.239	10	5		DCBERN
COc1ccc([N+](=O)[O-])c(C(=O)N2CC(NC(=O)C3CC3)C2)c1	ZINC000189391598	525446713	/nfs/dbraw/zinc/44/67/13/525446713.db2.gz	YERNDKZFSSKMRA-UHFFFAOYSA-N	0	0	319.317	0.954	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@H](C)CO	ZINC000158833270	525474928	/nfs/dbraw/zinc/47/49/28/525474928.db2.gz	RGBIWUMGKKJMDV-BDAKNGLRSA-N	0	0	318.351	0.899	10	5		DCBERN
C[C@H]1C(=O)NCCCN1C(=O)COc1ccccc1[N+](=O)[O-]	ZINC000188942259	526201074	/nfs/dbraw/zinc/20/10/74/526201074.db2.gz	JQUMZESVTITUNT-JTQLQIEISA-N	0	0	307.306	0.711	10	5		DCBERN
O=C(N[C@H]1CCCN(c2cccnn2)C1)c1[nH]ncc1[N+](=O)[O-]	ZINC000160470320	527027466	/nfs/dbraw/zinc/02/74/66/527027466.db2.gz	NYWPJCQFMWBLMS-VIFPVBQESA-N	0	0	317.309	0.507	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)NCCC(=O)N2CCCCCC2)n1	ZINC000270786486	527327334	/nfs/dbraw/zinc/32/73/34/527327334.db2.gz	KZNBSYQJZCTBBB-UHFFFAOYSA-N	0	0	323.353	0.851	10	5		DCBERN
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2CCOC[C@H]2C1	ZINC000364963580	527503387	/nfs/dbraw/zinc/50/33/87/527503387.db2.gz	UEDVHCJWHHKKNP-LLVKDONJSA-N	0	0	306.322	0.334	10	5		DCBERN
CC[S@](=O)CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O	ZINC000735075912	666942437	/nfs/dbraw/zinc/94/24/37/666942437.db2.gz	PRVBCSAJDXFNAG-IBGZPJMESA-N	0	0	321.380	0.423	10	5		DCBERN
CN1C(=O)C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1=O	ZINC000088776311	685093133	/nfs/dbraw/zinc/09/31/33/685093133.db2.gz	NLNVPYWBDZSIAY-SECBINFHSA-N	0	0	311.681	0.735	10	5		DCBERN
NS(=O)(=O)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000036745711	1157434165	/nfs/dbraw/zinc/43/41/65/1157434165.db2.gz	UYVWBIKAEWLKBY-UHFFFAOYSA-N	0	0	307.715	0.267	10	5		DCBERN
Nc1c(Cl)cc(C(=O)N[C@H]2CCCNC2=O)cc1[N+](=O)[O-]	ZINC000050705425	1171736654	/nfs/dbraw/zinc/73/66/54/1171736654.db2.gz	QJRKKSARPQHCQZ-QMMMGPOBSA-N	0	0	312.713	0.839	10	5		DCBERN
CS(=O)(=O)c1ccc(N[C@@H]2COC[C@@H]2O)c([N+](=O)[O-])c1	ZINC000323253756	1190445154	/nfs/dbraw/zinc/44/51/54/1190445154.db2.gz	GRLMTPLELDDYOW-KOLCDFICSA-N	0	0	302.308	0.170	10	5		DCBERN
O=C(c1c(Cl)cccc1[N+](=O)[O-])N1C[C@H](O)[C@@H](CO)C1	ZINC000317757784	775124307	/nfs/dbraw/zinc/12/43/07/775124307.db2.gz	ZPWIHUFHAYTORQ-XCBNKYQSSA-N	0	0	300.698	0.673	10	5		DCBERN
O=[N+]([O-])c1cnccc1NCCS(=O)(=O)N1CCCC1	ZINC000721853038	944938744	/nfs/dbraw/zinc/93/87/44/944938744.db2.gz	KKJAUVSMOCBRDD-UHFFFAOYSA-N	0	0	300.340	0.249	10	5		DCBERN
CC[C@@H](NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C(=O)OC	ZINC000084277659	192419745	/nfs/dbraw/zinc/41/97/45/192419745.db2.gz	HZGNSZYLVJGOJK-SNVBAGLBSA-N	0	0	312.326	0.866	10	5		DCBERN
O=c1c2nnc3ncnn3c2ccn1-c1cccc([N+](=O)[O-])c1	ZINC000072452242	191171625	/nfs/dbraw/zinc/17/16/25/191171625.db2.gz	UPHGXVKQXMEKME-UHFFFAOYSA-N	0	0	309.245	0.732	10	5		DCBERN
C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCC(C(N)=O)CC1	ZINC000002791241	180957982	/nfs/dbraw/zinc/95/79/82/180957982.db2.gz	DTYJDRMTVOIRQB-SECBINFHSA-N	0	0	309.326	0.151	10	5		DCBERN
O=[N+]([O-])c1cnn(CCN2CCO[C@@H](Cn3cccn3)C2)c1	ZINC000174850865	198393574	/nfs/dbraw/zinc/39/35/74/198393574.db2.gz	KKKDIFCXNJYJJF-CYBMUJFWSA-N	0	0	306.326	0.389	10	5		DCBERN
CCCC(=O)N[C@@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC000157071302	291226733	/nfs/dbraw/zinc/22/67/33/291226733.db2.gz	IIPFICNMHCZMOF-LLVKDONJSA-N	0	0	323.353	0.699	10	5		DCBERN
C[C@H]1C[C@@H](O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000401595949	239253819	/nfs/dbraw/zinc/25/38/19/239253819.db2.gz	VPIPGDHLLUKWHK-GXSJLCMTSA-N	0	0	300.336	0.986	10	5		DCBERN
COC(=O)[C@]12CCC[C@H]1CN(c1ncc([N+](=O)[O-])c(N)n1)C2	ZINC000302165702	533640461	/nfs/dbraw/zinc/64/04/61/533640461.db2.gz	KTSRTKVRJVPGLP-SDBXPKJASA-N	0	0	307.310	0.747	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CC(O)C1	ZINC000091524196	395725725	/nfs/dbraw/zinc/72/57/25/395725725.db2.gz	QPTVWUUVWXKTRW-UHFFFAOYSA-N	0	0	300.336	0.952	10	5		DCBERN
CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@@H]1CC(=O)NC1=O	ZINC000101516057	395764616	/nfs/dbraw/zinc/76/46/16/395764616.db2.gz	LKGBTAGYPKHKKE-LLVKDONJSA-N	0	0	305.290	0.780	10	5		DCBERN
CN1CCO[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000194734015	395805728	/nfs/dbraw/zinc/80/57/28/395805728.db2.gz	IWCZHWJKNWXGFL-NSHDSACASA-N	0	0	315.351	0.204	10	5		DCBERN
NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000194395481	395795943	/nfs/dbraw/zinc/79/59/43/395795943.db2.gz	SOMMKYJHYSJNBC-ZETCQYMHSA-N	0	0	319.364	0.685	10	5		DCBERN
Cc1sc(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1[N+](=O)[O-]	ZINC000152265272	396004651	/nfs/dbraw/zinc/00/46/51/396004651.db2.gz	UZUMISFPZCIHFU-CBAPKCEASA-N	0	0	313.335	0.727	10	5		DCBERN
CC(C)CN(CC(N)=O)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000066327696	396005740	/nfs/dbraw/zinc/00/57/40/396005740.db2.gz	JXANLUQNMMNYCU-UHFFFAOYSA-N	0	0	321.380	0.788	10	5		DCBERN
O=[N+]([O-])c1cc(I)cnc1NCCO	ZINC000070451346	396102351	/nfs/dbraw/zinc/10/23/51/396102351.db2.gz	WIEZDOAIQAYHKX-UHFFFAOYSA-N	0	0	309.063	0.999	10	5		DCBERN
CCN1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1=O	ZINC000190523611	396407265	/nfs/dbraw/zinc/40/72/65/396407265.db2.gz	KWLXCMNNMPNDDS-UHFFFAOYSA-N	0	0	309.326	0.446	10	5		DCBERN
Nc1c(C(=O)N2CCN3CCOC[C@@H]3C2)cccc1[N+](=O)[O-]	ZINC000371869240	396479156	/nfs/dbraw/zinc/47/91/56/396479156.db2.gz	FLYYUUSSBHKXLW-JTQLQIEISA-N	0	0	306.322	0.334	10	5		DCBERN
O=C1NCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000594791150	396515610	/nfs/dbraw/zinc/51/56/10/396515610.db2.gz	LBBMPGIAUBUFKL-SSDOTTSWSA-N	0	0	319.726	0.415	10	5		DCBERN
CO[C@@H]1CC[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1	ZINC000530408818	396577172	/nfs/dbraw/zinc/57/71/72/396577172.db2.gz	CNMKLXIIMNCGGS-RKDXNWHRSA-N	0	0	301.324	0.836	10	5		DCBERN
C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@H]1O	ZINC000301953675	396717697	/nfs/dbraw/zinc/71/76/97/396717697.db2.gz	IFQFIQZZNQBXCQ-GZMMTYOYSA-N	0	0	315.351	0.449	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1cc(C)c([N+](=O)[O-])cn1	ZINC000596437672	396778051	/nfs/dbraw/zinc/77/80/51/396778051.db2.gz	XVIFWQFALWJALY-PSASIEDQSA-N	0	0	301.324	0.522	10	5		DCBERN
COc1cc(N2CC[C@H](S(N)(=O)=O)C2)c([N+](=O)[O-])cc1F	ZINC000611117610	396820426	/nfs/dbraw/zinc/82/04/26/396820426.db2.gz	QYKVNPSZYPLFCE-ZETCQYMHSA-N	0	0	319.314	0.610	10	5		DCBERN
COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3CCOC[C@@H]3C2)c1	ZINC000612451095	397059766	/nfs/dbraw/zinc/05/97/66/397059766.db2.gz	CDNZWVQGRRRGNK-LBPRGKRZSA-N	0	0	321.333	0.902	10	5		DCBERN
COC[C@@](C)(CO)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-]	ZINC000613534559	397274892	/nfs/dbraw/zinc/27/48/92/397274892.db2.gz	NACFNYOELYPMNL-GFCCVEGCSA-N	0	0	300.315	0.569	10	5		DCBERN
COc1cc(CN2CCOC[C@H]2C(N)=O)c([N+](=O)[O-])cc1F	ZINC000184294676	286219353	/nfs/dbraw/zinc/21/93/53/286219353.db2.gz	BDEVZMYTUHWBGR-NSHDSACASA-N	0	0	313.285	0.429	10	5		DCBERN
CN(C)c1ncccc1CNC(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000065780278	158035187	/nfs/dbraw/zinc/03/51/87/158035187.db2.gz	WVWVWLMZYVAGSR-UHFFFAOYSA-N	0	0	318.337	0.959	10	5		DCBERN
C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000068138771	158042483	/nfs/dbraw/zinc/04/24/83/158042483.db2.gz	HHHKHEAIUJEWDW-VHSXEESVSA-N	0	0	309.326	0.294	10	5		DCBERN
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCn3ccnc3C2)c1	ZINC000074785439	158059626	/nfs/dbraw/zinc/05/96/26/158059626.db2.gz	QCSRRNBFVXFUEB-UHFFFAOYSA-N	0	0	308.319	0.996	10	5		DCBERN
Cc1noc(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n1	ZINC000119607309	158189527	/nfs/dbraw/zinc/18/95/27/158189527.db2.gz	XNNRWUNEPQAYDL-UHFFFAOYSA-N	0	0	309.257	0.980	10	5		DCBERN
O=C(NCc1cccnc1-n1ccnc1)c1[nH]ncc1[N+](=O)[O-]	ZINC000135004992	158332417	/nfs/dbraw/zinc/33/24/17/158332417.db2.gz	BENQISBPWVBSTG-UHFFFAOYSA-N	0	0	313.277	0.829	10	5		DCBERN
Cc1nn(C)c(N2CCN(c3cccnn3)CC2)c1[N+](=O)[O-]	ZINC000170641001	158374771	/nfs/dbraw/zinc/37/47/71/158374771.db2.gz	QYJDAIPGNDFGFZ-UHFFFAOYSA-N	0	0	303.326	0.753	10	5		DCBERN
Cc1nn(CCC(=O)N2CCCNC(=O)[C@@H]2C)c(C)c1[N+](=O)[O-]	ZINC000188936332	158548624	/nfs/dbraw/zinc/54/86/24/158548624.db2.gz	LLFYQQAXSSVWAN-NSHDSACASA-N	0	0	323.353	0.535	10	5		DCBERN
C[C@](O)(CO)CNc1c(Br)cncc1[N+](=O)[O-]	ZINC000235719335	158632775	/nfs/dbraw/zinc/63/27/75/158632775.db2.gz	SPTDFQSBBPSWAF-SECBINFHSA-N	0	0	306.116	0.908	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H]2COCC[C@H]21	ZINC000408001054	160007944	/nfs/dbraw/zinc/00/79/44/160007944.db2.gz	MIUZYNAKXHQJGE-DGCLKSJQSA-N	0	0	321.333	0.784	10	5		DCBERN
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCO[C@H]2CCCC[C@@H]21	ZINC000408026183	160015155	/nfs/dbraw/zinc/01/51/55/160015155.db2.gz	GHOVAIDHJCSWOY-FZMZJTMJSA-N	0	0	321.333	0.927	10	5		DCBERN
CCCC(=O)N[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000195406086	287063040	/nfs/dbraw/zinc/06/30/40/287063040.db2.gz	DSLYSXLHEQFRKL-LLVKDONJSA-N	0	0	323.353	0.699	10	5		DCBERN
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C2CC2)CC1	ZINC000129600944	415910592	/nfs/dbraw/zinc/91/05/92/415910592.db2.gz	JSRMMYKREMAORS-UHFFFAOYSA-N	0	0	318.333	0.840	10	5		DCBERN
Cc1noc([C@@H]2COCCN2CCn2cc([N+](=O)[O-])cn2)n1	ZINC000161203369	416010460	/nfs/dbraw/zinc/01/04/60/416010460.db2.gz	MFQBOIJKTLUBIJ-NSHDSACASA-N	0	0	308.298	0.556	10	5		DCBERN
O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](CO)C1	ZINC000167454195	416023358	/nfs/dbraw/zinc/02/33/58/416023358.db2.gz	SVGYJPXQVNACJU-LLVKDONJSA-N	0	0	312.347	0.907	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCc2ccccc2[C@@H]1CO	ZINC000357663083	416113014	/nfs/dbraw/zinc/11/30/14/416113014.db2.gz	TZKBYXODAWMXNY-LBPRGKRZSA-N	0	0	317.305	0.305	10	5		DCBERN
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](CO)C1CC1	ZINC000357783399	416132433	/nfs/dbraw/zinc/13/24/33/416132433.db2.gz	ONEBEZRHAYHPRY-SECBINFHSA-N	0	0	315.351	0.673	10	5		DCBERN
NS(=O)(=O)c1cccc(NC[C@H](CO)C2CC2)c1[N+](=O)[O-]	ZINC000357813654	416136917	/nfs/dbraw/zinc/13/69/17/416136917.db2.gz	UAJLELBOWFXBRF-SECBINFHSA-N	0	0	315.351	0.673	10	5		DCBERN
O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCN1CC2	ZINC000178968549	416179750	/nfs/dbraw/zinc/17/97/50/416179750.db2.gz	YYGMZUNRIUYICA-GFCCVEGCSA-N	0	0	319.365	0.123	10	5		DCBERN
O=C(NC[C@@H]1CN(C2CC2)CCO1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000179500473	416189236	/nfs/dbraw/zinc/18/92/36/416189236.db2.gz	GIGSXXBMQDDVAL-GFCCVEGCSA-N	0	0	321.333	0.893	10	5		DCBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC(=O)NC1=O	ZINC000183383963	416239539	/nfs/dbraw/zinc/23/95/39/416239539.db2.gz	WCRDAXKJAIXZHV-BCPZQOPPSA-N	0	0	317.301	0.920	10	5		DCBERN
COc1cccc(C(=O)NC[C@H]2CN(C)CCO2)c1[N+](=O)[O-]	ZINC000192467663	416306319	/nfs/dbraw/zinc/30/63/19/416306319.db2.gz	HUOYEBZVHQPQCG-JTQLQIEISA-N	0	0	309.322	0.664	10	5		DCBERN
Cc1cc(C(=O)N2CCN3CCOC[C@@H]3C2)c(N)c([N+](=O)[O-])c1	ZINC000369388857	416764788	/nfs/dbraw/zinc/76/47/88/416764788.db2.gz	IXIXBIQXKPGZSV-NSHDSACASA-N	0	0	320.349	0.642	10	5		DCBERN
CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])nc1	ZINC000450482673	417230536	/nfs/dbraw/zinc/23/05/36/417230536.db2.gz	HLWWWORHAUINME-DTWKUNHWSA-N	0	0	310.310	0.858	10	5		DCBERN
C[C@@H](Cc1cnn(C)c1)Nc1ccc2ncc([N+](=O)[O-])n2n1	ZINC000450839330	417273657	/nfs/dbraw/zinc/27/36/57/417273657.db2.gz	GJPVPENVRVGHTN-VIFPVBQESA-N	0	0	301.310	1.414	10	5		DCBERN
C[N@+]1([O-])[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000575336286	417529425	/nfs/dbraw/zinc/52/94/25/417529425.db2.gz	UCHIECVTJBGPNP-SXWCTKSRSA-N	0	0	320.365	0.822	10	5		DCBERN
COc1cccc(C(=O)N2CC[C@H](NC(N)=O)C2)c1[N+](=O)[O-]	ZINC000444315080	287420492	/nfs/dbraw/zinc/42/04/92/287420492.db2.gz	QGZAFKVWMADNFL-QMMMGPOBSA-N	0	0	308.294	0.486	10	5		DCBERN
O=C1COc2cc([N+](=O)[O-])c(NCCn3ccnn3)cc2N1	ZINC000302161315	230135569	/nfs/dbraw/zinc/13/55/69/230135569.db2.gz	JWXAUUBPVFPOJU-UHFFFAOYSA-N	0	0	304.266	0.629	10	5		DCBERN
C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCN1CCO	ZINC000187271836	261123141	/nfs/dbraw/zinc/12/31/41/261123141.db2.gz	AOSJUIBEQNAXHW-GFCCVEGCSA-N	0	0	323.349	0.499	10	5		DCBERN
COc1ccc(NC(=O)[C@H](C)N2CC(=O)N(C)C2)c([N+](=O)[O-])c1	ZINC000360489299	261837420	/nfs/dbraw/zinc/83/74/20/261837420.db2.gz	GFGMYNDOPLVCFZ-VIFPVBQESA-N	0	0	322.321	0.662	10	5		DCBERN
CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1c([N+](=O)[O-])ncn1C	ZINC000362664543	262058274	/nfs/dbraw/zinc/05/82/74/262058274.db2.gz	MMNSNENNJGMPBV-HTQZYQBOSA-N	0	0	313.314	0.197	10	5		DCBERN
O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN2CCOC[C@H]2C1	ZINC000363854865	262135182	/nfs/dbraw/zinc/13/51/82/262135182.db2.gz	ALAXHXUHIUSTRS-LLVKDONJSA-N	0	0	309.297	0.891	10	5		DCBERN
C[C@H](C1CC1)n1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cn1	ZINC000490965814	272085718	/nfs/dbraw/zinc/08/57/18/272085718.db2.gz	GFQXVDQJUUNNED-MRVPVSSYSA-N	0	0	305.298	0.993	10	5		DCBERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC(=O)NC1=O	ZINC000183383945	275730133	/nfs/dbraw/zinc/73/01/33/275730133.db2.gz	WCRDAXKJAIXZHV-IDVQTMNDSA-N	0	0	317.301	0.920	10	5		DCBERN
CCOc1ccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)cc1[N+](=O)[O-]	ZINC000547403564	288043965	/nfs/dbraw/zinc/04/39/65/288043965.db2.gz	QTXPPKUKKINPSB-DGCLKSJQSA-N	0	0	324.333	0.809	10	5		DCBERN
C[C@H]1C[C@@H](O)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000401582852	300442713	/nfs/dbraw/zinc/44/27/13/300442713.db2.gz	LBTSMCIRIZVIGN-VHSXEESVSA-N	0	0	300.336	0.986	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)n1	ZINC000408376996	302943149	/nfs/dbraw/zinc/94/31/49/302943149.db2.gz	YVHCUTXLPQFGAG-GXSJLCMTSA-N	0	0	322.321	0.539	10	5		DCBERN
NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCc2n[nH]cc2C1	ZINC000301303584	534473207	/nfs/dbraw/zinc/47/32/07/534473207.db2.gz	WOZBUFQDVQPXEY-QMMMGPOBSA-N	0	0	302.294	0.781	10	5		DCBERN
CCC[C@H]1C(=O)NCCN1C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191693730	528361527	/nfs/dbraw/zinc/36/15/27/528361527.db2.gz	UDCLVXALTSTKNW-VIFPVBQESA-N	0	0	309.326	0.552	10	5		DCBERN
CNC(=O)c1cccc(COC(=O)Cn2cnc([N+](=O)[O-])n2)c1	ZINC000733822634	666818857	/nfs/dbraw/zinc/81/88/57/666818857.db2.gz	LZGWGXWKXYKESJ-UHFFFAOYSA-N	0	0	319.277	0.289	10	5		DCBERN
C[C@@H](C(N)=O)N(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000711100871	667449074	/nfs/dbraw/zinc/44/90/74/667449074.db2.gz	SFRJTNNZQFMRBF-LURJTMIESA-N	0	0	305.287	0.228	10	5		DCBERN
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCC1CC(O)C1	ZINC000126537581	668622196	/nfs/dbraw/zinc/62/21/96/668622196.db2.gz	OOFRLNWQLRWNTR-UHFFFAOYSA-N	0	0	304.299	0.783	10	5		DCBERN
O=C([C@@H]1CNC(=O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000194767683	670456460	/nfs/dbraw/zinc/45/64/60/670456460.db2.gz	JMTITSGMMAITAI-NSHDSACASA-N	0	0	318.333	0.380	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cc[nH]n2)c(F)c1	ZINC000043592345	1171547557	/nfs/dbraw/zinc/54/75/57/1171547557.db2.gz	XLGAQVRTXVDQIB-UHFFFAOYSA-N	0	0	300.271	0.936	10	5		DCBERN
C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCS1(=O)=O	ZINC000246248884	1183039272	/nfs/dbraw/zinc/03/92/72/1183039272.db2.gz	JAGVUWXOEJBBRO-GXFFZTMASA-N	0	0	314.363	0.747	10	5		DCBERN
C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1	ZINC000248235810	1183385483	/nfs/dbraw/zinc/38/54/83/1183385483.db2.gz	DNKSUTGYJRWBEC-WHGOUJPWSA-N	0	0	313.335	0.176	10	5		DCBERN
O=[N+]([O-])c1cnc(N2C[C@@H](O)[C@H](CO)C2)c(Br)c1	ZINC000317454764	1190420975	/nfs/dbraw/zinc/42/09/75/1190420975.db2.gz	OBCSCRXOUOCIBS-IMTBSYHQSA-N	0	0	318.127	0.542	10	5		DCBERN
Nc1c(Cl)cc(C(=O)NCCn2ccnn2)cc1[N+](=O)[O-]	ZINC000128131937	747452979	/nfs/dbraw/zinc/45/29/79/747452979.db2.gz	SREARCZVHVBSLK-UHFFFAOYSA-N	0	0	310.701	0.852	10	5		DCBERN
CN(CCS(N)(=O)=O)C(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000719423088	952477148	/nfs/dbraw/zinc/47/71/48/952477148.db2.gz	RSCMPRHQWHDYNL-UHFFFAOYSA-N	0	0	305.287	0.094	10	5		DCBERN
CCNC(=O)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1	ZINC000157613594	291229042	/nfs/dbraw/zinc/22/90/42/291229042.db2.gz	MZRBZAFUCUYGIF-JTQLQIEISA-N	0	0	321.337	0.832	10	5		DCBERN
Cc1c(C(=O)NC2(CO)CC2)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000160360964	291238066	/nfs/dbraw/zinc/23/80/66/291238066.db2.gz	KCZZSSHNHZPTSX-UHFFFAOYSA-N	0	0	317.305	0.739	10	5		DCBERN
Cn1cnc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000170270465	252593804	/nfs/dbraw/zinc/59/38/04/252593804.db2.gz	KAOZSENZEKNECO-UHFFFAOYSA-N	0	0	310.335	0.849	10	5		DCBERN
C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])S(N)(=O)=O	ZINC000348110683	254220979	/nfs/dbraw/zinc/22/09/79/254220979.db2.gz	YCOLTZBWZXKRND-YFKPBYRVSA-N	0	0	305.341	0.393	10	5		DCBERN
C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])S(N)(=O)=O	ZINC000350616371	254319037	/nfs/dbraw/zinc/31/90/37/254319037.db2.gz	QWDXPYZSEJINLH-LURJTMIESA-N	0	0	305.287	0.141	10	5		DCBERN
CS(=O)(=O)c1ccc(N2CCO[C@@H](CO)C2)c([N+](=O)[O-])c1	ZINC000094267276	395739948	/nfs/dbraw/zinc/73/99/48/395739948.db2.gz	OZYSQDHSCIVBRU-SECBINFHSA-N	0	0	316.335	0.196	10	5		DCBERN
O=C(CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])N1CCCC1	ZINC000045853694	395767459	/nfs/dbraw/zinc/76/74/59/395767459.db2.gz	XXGAZCQMPGCYLJ-UHFFFAOYSA-N	0	0	317.305	0.637	10	5		DCBERN
COCCN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C	ZINC000117293416	395852168	/nfs/dbraw/zinc/85/21/68/395852168.db2.gz	XECBFOYTNDCBDW-LLVKDONJSA-N	0	0	322.365	0.970	10	5		DCBERN
Cc1c(NC(=O)C(=O)N[C@@H](C)[C@H](C)CO)cccc1[N+](=O)[O-]	ZINC000177790724	396184112	/nfs/dbraw/zinc/18/41/12/396184112.db2.gz	QRSVDEIGXXUEBU-SCZZXKLOSA-N	0	0	309.322	0.975	10	5		DCBERN
CN(C)c1noc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1	ZINC000184535889	396298006	/nfs/dbraw/zinc/29/80/06/396298006.db2.gz	VCHXYXWLEHYILK-UHFFFAOYSA-N	0	0	317.261	0.840	10	5		DCBERN
CCN1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1=O	ZINC000190652119	396409468	/nfs/dbraw/zinc/40/94/68/396409468.db2.gz	JSBUMRIHLWFVKH-UHFFFAOYSA-N	0	0	305.337	0.467	10	5		DCBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC(O)(C3CC3)C2)c1	ZINC000372668880	396536072	/nfs/dbraw/zinc/53/60/72/396536072.db2.gz	GGYAYMYLWCZLSO-UHFFFAOYSA-N	0	0	312.347	0.881	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2C(=O)NC2CC2)n1	ZINC000611219037	396837684	/nfs/dbraw/zinc/83/76/84/396837684.db2.gz	IXWUYVMOGCRCEY-VIFPVBQESA-N	0	0	307.310	0.212	10	5		DCBERN
CCN1CC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1=O	ZINC000619801741	397195133	/nfs/dbraw/zinc/19/51/33/397195133.db2.gz	MPUOOEPHQGLWAZ-JTQLQIEISA-N	0	0	309.326	0.263	10	5		DCBERN
COC(=O)C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCO1	ZINC000378360849	397233086	/nfs/dbraw/zinc/23/30/86/397233086.db2.gz	PCSZKNODSHAXEZ-VIFPVBQESA-N	0	0	321.293	0.406	10	5		DCBERN
COC[C@@](C)(CO)NC(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC000613534581	397275149	/nfs/dbraw/zinc/27/51/49/397275149.db2.gz	NIPVKWUOEVDNGH-CQSZACIVSA-N	0	0	311.338	0.545	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2O)cc1	ZINC000599493338	397457728	/nfs/dbraw/zinc/45/77/28/397457728.db2.gz	NMCSZFKLGPLIJE-MNOVXSKESA-N	0	0	302.308	0.023	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC(Oc2ccccc2)C1	ZINC000609173233	397762846	/nfs/dbraw/zinc/76/28/46/397762846.db2.gz	RBIBROHISYZMNH-UHFFFAOYSA-N	0	0	303.278	0.476	10	5		DCBERN
NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000064242780	158032541	/nfs/dbraw/zinc/03/25/41/158032541.db2.gz	GEDUYOUCTIDDSG-ZETCQYMHSA-N	0	0	319.364	0.542	10	5		DCBERN
C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000190991355	158564840	/nfs/dbraw/zinc/56/48/40/158564840.db2.gz	AVBLMKAJMZMMPQ-SSDOTTSWSA-N	0	0	319.364	0.555	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CNC(=O)C2)C1	ZINC000408271661	160073268	/nfs/dbraw/zinc/07/32/68/160073268.db2.gz	RAKSDUURSGCDQN-AWEZNQCLSA-N	0	0	304.306	0.650	10	5		DCBERN
Cc1sc(C(=O)NCCCNS(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000045145893	415244790	/nfs/dbraw/zinc/24/47/90/415244790.db2.gz	UGLIJPKMBWHIJY-UHFFFAOYSA-N	0	0	321.380	0.634	10	5		DCBERN
Cc1cnn(C[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)CCO2)c1	ZINC000176234079	416122729	/nfs/dbraw/zinc/12/27/29/416122729.db2.gz	ITBIEAAIQSVCRU-CYBMUJFWSA-N	0	0	320.353	0.697	10	5		DCBERN
C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N1CCOCC1	ZINC000180524180	416197940	/nfs/dbraw/zinc/19/79/40/416197940.db2.gz	XNOCSFDLVOVIAU-VIFPVBQESA-N	0	0	309.326	0.023	10	5		DCBERN
Cc1cc(N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)n[nH]1	ZINC000187164668	416260437	/nfs/dbraw/zinc/26/04/37/416260437.db2.gz	WXMYUQKWOCAWOX-UHFFFAOYSA-N	0	0	305.342	0.645	10	5		DCBERN
CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](NS(C)(=O)=O)C1	ZINC000192602931	416308956	/nfs/dbraw/zinc/30/89/56/416308956.db2.gz	LOZJFPLGJOMCAA-VIFPVBQESA-N	0	0	317.371	0.248	10	5		DCBERN
CC(=O)N1CCC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1	ZINC000359941596	416366515	/nfs/dbraw/zinc/36/65/15/416366515.db2.gz	LCGBZUJCXZCCOE-NSHDSACASA-N	0	0	318.337	1.308	10	5		DCBERN
COCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CC[C@H](C)C1	ZINC000361247734	416427382	/nfs/dbraw/zinc/42/73/82/416427382.db2.gz	ZAHOLOBDFHTMCG-QWRGUYRKSA-N	0	0	311.342	0.850	10	5		DCBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)NCCOCCO)c1	ZINC000443771624	416779510	/nfs/dbraw/zinc/77/95/10/416779510.db2.gz	LTLLMZBBEITOGG-UHFFFAOYSA-N	0	0	304.324	0.023	10	5		DCBERN
CC(=O)N1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1	ZINC000527264780	417233391	/nfs/dbraw/zinc/23/33/91/417233391.db2.gz	LXBUHHMSPXDGLQ-NSHDSACASA-N	0	0	306.322	0.978	10	5		DCBERN
O=C([C@@H]1CNC(=O)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000194805493	261148882	/nfs/dbraw/zinc/14/88/82/261148882.db2.gz	APKBKOGFMRTPHH-NSHDSACASA-N	0	0	318.333	0.380	10	5		DCBERN
CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1ncc([N+](=O)[O-])cn1	ZINC000362672435	262059091	/nfs/dbraw/zinc/05/90/91/262059091.db2.gz	ZJROJIFYVKSQPF-JGVFFNPUSA-N	0	0	311.298	0.253	10	5		DCBERN
CCCc1n[nH]c(C(=O)N2CCN3CCOC[C@@H]3C2)c1[N+](=O)[O-]	ZINC000363851871	262134099	/nfs/dbraw/zinc/13/40/99/262134099.db2.gz	IRYQQTAIKYMMDC-JTQLQIEISA-N	0	0	323.353	0.427	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCO[C@H]3C)C2)n1	ZINC000548092827	288111094	/nfs/dbraw/zinc/11/10/94/288111094.db2.gz	OZKGBVIBBVROPB-IINYFYTJSA-N	0	0	324.337	0.831	10	5		DCBERN
C[C@H]1OCC[C@@]12CN(C(=O)c1nn(C)cc1[N+](=O)[O-])CCO2	ZINC000548749051	288173297	/nfs/dbraw/zinc/17/32/97/288173297.db2.gz	NDZBJDLULRPOFB-NOZJJQNGSA-N	0	0	310.310	0.348	10	5		DCBERN
O=C(NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1c[nH]nc1[N+](=O)[O-]	ZINC000555346363	288349539	/nfs/dbraw/zinc/34/95/39/288349539.db2.gz	CLPWJHPKYWKJEK-MWLCHTKSSA-N	0	0	324.337	0.615	10	5		DCBERN
COc1ccc(O)cc1C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000188785449	534210807	/nfs/dbraw/zinc/21/08/07/534210807.db2.gz	NLUHQXRVFRUMLX-UHFFFAOYSA-N	0	0	306.278	0.936	10	5		DCBERN
CO[C@H]1C[C@H](c2nc(C)no2)N(CCn2cc([N+](=O)[O-])cn2)C1	ZINC000189344560	524021608	/nfs/dbraw/zinc/02/16/08/524021608.db2.gz	RINJATWLLRWQTI-NWDGAFQWSA-N	0	0	322.325	0.945	10	5		DCBERN
CO[C@H]1C[C@H](c2nc(C)no2)N(CCn2ccc([N+](=O)[O-])n2)C1	ZINC000189342987	524022074	/nfs/dbraw/zinc/02/20/74/524022074.db2.gz	GWPXPNQIPAGOTN-WDEREUQCSA-N	0	0	322.325	0.945	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)[C@@H](C)O)CC1	ZINC000124408570	525558856	/nfs/dbraw/zinc/55/88/56/525558856.db2.gz	KRSNIJNINPOEND-LLVKDONJSA-N	0	0	321.333	0.568	10	5		DCBERN
O=[N+]([O-])c1ccc(CO)cc1N1CC[C@@H](N2CCOCC2)C1	ZINC000302034060	534881662	/nfs/dbraw/zinc/88/16/62/534881662.db2.gz	LEMLGZLSSLYHCF-CYBMUJFWSA-N	0	0	307.350	0.998	10	5		DCBERN
CCN(CC(=O)OC)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21	ZINC000728709603	662413184	/nfs/dbraw/zinc/41/31/84/662413184.db2.gz	SSUFCYCUPBCFRU-UHFFFAOYSA-N	0	0	309.278	0.955	10	5		DCBERN
CS(=O)(=O)CCNC(=S)NNc1ccc([N+](=O)[O-])cc1	ZINC000729153804	662639258	/nfs/dbraw/zinc/63/92/58/662639258.db2.gz	UEQXIWAXOFLZCC-UHFFFAOYSA-N	0	0	318.380	0.430	10	5		DCBERN
CC[S@@](=O)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000733963574	666832637	/nfs/dbraw/zinc/83/26/37/666832637.db2.gz	SOUIWUGIJZYIMB-HXUWFJFHSA-N	0	0	302.356	0.411	10	5		DCBERN
NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000038106295	685057521	/nfs/dbraw/zinc/05/75/21/685057521.db2.gz	HGVDDCKMTSSWBR-XCBNKYQSSA-N	0	0	313.697	0.309	10	5		DCBERN
NC(=O)[C@H](O)CNc1cccc(Br)c1[N+](=O)[O-]	ZINC000310327412	774336666	/nfs/dbraw/zinc/33/66/66/774336666.db2.gz	JDQHBABUVGXKCW-SSDOTTSWSA-N	0	0	304.100	0.615	10	5		DCBERN
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H](O)[C@H](CO)C1	ZINC000317660267	775112067	/nfs/dbraw/zinc/11/20/67/775112067.db2.gz	MWASYBBHQQHDEI-WRWORJQWSA-N	0	0	300.698	0.673	10	5		DCBERN
O=C(NCC(F)F)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000181313063	199280664	/nfs/dbraw/zinc/28/06/64/199280664.db2.gz	KYHLOQWVXUHNGP-KOLCDFICSA-N	0	0	319.264	0.553	10	5		DCBERN
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1N1CCOCC1	ZINC000173858676	198261520	/nfs/dbraw/zinc/26/15/20/198261520.db2.gz	OIRVCLWQNJWDBR-GHMZBOCLSA-N	0	0	309.322	0.981	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)CO	ZINC000177792841	198778245	/nfs/dbraw/zinc/77/82/45/198778245.db2.gz	YZERTPRDYNTGOF-UWVGGRQHSA-N	0	0	309.322	0.975	10	5		DCBERN
CO[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[C@H]1C	ZINC000187664607	200141514	/nfs/dbraw/zinc/14/15/14/200141514.db2.gz	JEWLGCAODYDAAE-ZYHUDNBSSA-N	0	0	311.342	0.858	10	5		DCBERN
C[C@H]1C[C@H](O)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000401566500	239253521	/nfs/dbraw/zinc/25/35/21/239253521.db2.gz	BNBMWSUOZRKKGW-ONGXEEELSA-N	0	0	300.336	0.986	10	5		DCBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000190715410	284203754	/nfs/dbraw/zinc/20/37/54/284203754.db2.gz	QCJQNAAQKKXHHN-BREBYQMCSA-N	0	0	322.321	0.591	10	5		DCBERN
CN(C)c1ncnc(NCCCN2CCOCC2)c1[N+](=O)[O-]	ZINC000040608369	183108898	/nfs/dbraw/zinc/10/88/98/183108898.db2.gz	GRMMINZNKORTSY-UHFFFAOYSA-N	0	0	310.358	0.585	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCN1CCCC1=O	ZINC000065834296	184381267	/nfs/dbraw/zinc/38/12/67/184381267.db2.gz	YIBFLMBXRZEGCL-UHFFFAOYSA-N	0	0	309.326	0.228	10	5		DCBERN
Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)S(N)(=O)=O)c1	ZINC000350629693	254321397	/nfs/dbraw/zinc/32/13/97/254321397.db2.gz	QVWFMFHMAQZZLR-MRVPVSSYSA-N	0	0	301.324	0.310	10	5		DCBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)[C@@H]1CCS(=O)(=O)C1	ZINC000334162324	257262208	/nfs/dbraw/zinc/26/22/08/257262208.db2.gz	MIPZZAYEMWBOFY-MRVPVSSYSA-N	0	0	305.333	0.556	10	5		DCBERN
O=[N+]([O-])c1ccc(CS(=O)(=O)NCC2CC(O)C2)cc1	ZINC000091538999	395725950	/nfs/dbraw/zinc/72/59/50/395725950.db2.gz	FBRSMXQNERTSGY-UHFFFAOYSA-N	0	0	300.336	0.785	10	5		DCBERN
COC(=O)C[C@@H]1C(=O)NCCN1Cc1csc([N+](=O)[O-])c1	ZINC000047264986	395789757	/nfs/dbraw/zinc/78/97/57/395789757.db2.gz	XYVZKAMXXCWPRN-SECBINFHSA-N	0	0	313.335	0.520	10	5		DCBERN
CCn1ccnc1Cn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O	ZINC000195517514	395830996	/nfs/dbraw/zinc/83/09/96/395830996.db2.gz	IDTYBBHXRULKRZ-UHFFFAOYSA-N	0	0	306.278	0.808	10	5		DCBERN
CNC(=O)[C@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000053318307	395880318	/nfs/dbraw/zinc/88/03/18/395880318.db2.gz	PMWIXTTXYONWRI-GFCCVEGCSA-N	0	0	307.306	0.711	10	5		DCBERN
C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000175753922	396141536	/nfs/dbraw/zinc/14/15/36/396141536.db2.gz	UWKSXNVOAARVCD-VIFPVBQESA-N	0	0	312.326	0.980	10	5		DCBERN
CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H]1CC(=O)NC1=O	ZINC000162645209	396083076	/nfs/dbraw/zinc/08/30/76/396083076.db2.gz	SHARDRDWCCCFPB-MRVPVSSYSA-N	0	0	311.319	0.842	10	5		DCBERN
Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN(C2CC2)CCO1	ZINC000184410215	396294250	/nfs/dbraw/zinc/29/42/50/396294250.db2.gz	BKILTKAVUNNTEW-LBPRGKRZSA-N	0	0	320.349	0.770	10	5		DCBERN
C[C@@H](O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1C	ZINC000184447240	396295959	/nfs/dbraw/zinc/29/59/59/396295959.db2.gz	GFGWZFIDNSHNOI-GHMZBOCLSA-N	0	0	322.365	0.704	10	5		DCBERN
COC(=O)[C@@]1(C)CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000186309041	396347350	/nfs/dbraw/zinc/34/73/50/396347350.db2.gz	DPSJLWOUBZLUPA-WCQYABFASA-N	0	0	312.326	0.180	10	5		DCBERN
Cc1cc(N2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)n[nH]1	ZINC000189736759	396398432	/nfs/dbraw/zinc/39/84/32/396398432.db2.gz	DORGZIOMFPTWRI-UHFFFAOYSA-N	0	0	305.298	0.312	10	5		DCBERN
COc1cc(NC[C@@H](O)CN2CCOCC2)ccc1[N+](=O)[O-]	ZINC000269338561	396408451	/nfs/dbraw/zinc/40/84/51/396408451.db2.gz	GHKYQLHQUXLABG-GFCCVEGCSA-N	0	0	311.338	0.708	10	5		DCBERN
CCN1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O	ZINC000191573394	396422027	/nfs/dbraw/zinc/42/20/27/396422027.db2.gz	COQCGNPYUVJYFQ-GFCCVEGCSA-N	0	0	309.322	0.456	10	5		DCBERN
C[C@@H]1C(=O)NCCCN1C(=O)CNc1ccccc1[N+](=O)[O-]	ZINC000188069009	396378331	/nfs/dbraw/zinc/37/83/31/396378331.db2.gz	IVQSUZSFMXUTQW-SNVBAGLBSA-N	0	0	306.322	0.744	10	5		DCBERN
CCn1c(C)nc([N+](=O)[O-])c1N1CCS(=O)(=O)[C@@H](C)C1	ZINC000288895546	396448601	/nfs/dbraw/zinc/44/86/01/396448601.db2.gz	NJQGGMZCHMPEKP-QMMMGPOBSA-N	0	0	302.356	0.743	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ncc([N+](=O)[O-])cc1C	ZINC000596432802	396775039	/nfs/dbraw/zinc/77/50/39/396775039.db2.gz	FWINGSDADPOGBE-NXEZZACHSA-N	0	0	301.324	0.522	10	5		DCBERN
CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCCN(CCO)C1=O	ZINC000619490884	397138890	/nfs/dbraw/zinc/13/88/90/397138890.db2.gz	PZRQXJLRDBGVMX-SNVBAGLBSA-N	0	0	311.342	0.515	10	5		DCBERN
O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2cc[nH]n2)c1	ZINC000377809071	397145395	/nfs/dbraw/zinc/14/53/95/397145395.db2.gz	KZKQAKAHUGMRJR-YPMHNXCESA-N	0	0	306.326	0.712	10	5		DCBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCOC[C@@H]1O	ZINC000599493292	397458229	/nfs/dbraw/zinc/45/82/29/397458229.db2.gz	MVGFELYWWHYHHK-SCZZXKLOSA-N	0	0	302.308	0.023	10	5		DCBERN
Cc1nn(C)c(N(C)C[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000610132420	397804742	/nfs/dbraw/zinc/80/47/42/397804742.db2.gz	FTFDGODFLULPLT-SECBINFHSA-N	0	0	302.356	0.508	10	5		DCBERN
NC(=O)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC000064240860	158033350	/nfs/dbraw/zinc/03/33/50/158033350.db2.gz	PZPIPHLODOGLJC-UHFFFAOYSA-N	0	0	319.364	0.542	10	5		DCBERN
C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1N1CCOCC1	ZINC000408052988	160024311	/nfs/dbraw/zinc/02/43/11/160024311.db2.gz	NDNIJCPPQDBXPU-ZYHUDNBSSA-N	0	0	323.353	0.121	10	5		DCBERN
CC(=O)N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C(C)(C)C1	ZINC000408105443	160037395	/nfs/dbraw/zinc/03/73/95/160037395.db2.gz	UGLVNXZCBYCXGP-UHFFFAOYSA-N	0	0	309.326	0.411	10	5		DCBERN
C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N1CCOCC1	ZINC000173067911	287052656	/nfs/dbraw/zinc/05/26/56/287052656.db2.gz	AADVKCUICMSTSV-LBPRGKRZSA-N	0	0	307.350	0.974	10	5		DCBERN
COC(=O)[C@@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000246715322	287086931	/nfs/dbraw/zinc/08/69/31/287086931.db2.gz	KVNFPYFOGXMQFG-NEPJUHHUSA-N	0	0	312.326	0.180	10	5		DCBERN
Nc1c(C(=O)N[C@H]2CCc3ncnn3C2)cc(F)cc1[N+](=O)[O-]	ZINC000112655042	415713025	/nfs/dbraw/zinc/71/30/25/415713025.db2.gz	WDKAZGYSEGXDKC-QMMMGPOBSA-N	0	0	320.284	0.652	10	5		DCBERN
COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)CO)cc1[N+](=O)[O-]	ZINC000158785107	416003424	/nfs/dbraw/zinc/00/34/24/416003424.db2.gz	SBXRQLGFNHWQAF-IUCAKERBSA-N	0	0	318.351	0.899	10	5		DCBERN
CNC(=O)CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000171426057	416037762	/nfs/dbraw/zinc/03/77/62/416037762.db2.gz	ABXVEOXODMKFHK-UHFFFAOYSA-N	0	0	307.353	0.413	10	5		DCBERN
O=C1CCCN1[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1	ZINC000357754340	416127389	/nfs/dbraw/zinc/12/73/89/416127389.db2.gz	ZYMQEIKAGICAPN-SNVBAGLBSA-N	0	0	316.321	0.839	10	5		DCBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1Cc2ccccc2[C@@H]1O	ZINC000178696984	416169176	/nfs/dbraw/zinc/16/91/76/416169176.db2.gz	KVXQEULRQLWSBG-FZMZJTMJSA-N	0	0	302.290	0.566	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1Cc2ccccc2[C@@H]1O	ZINC000178686448	416169374	/nfs/dbraw/zinc/16/93/74/416169374.db2.gz	GCPJTDRLOVYGLQ-JSGCOSHPSA-N	0	0	302.290	0.566	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CC(OCCCOC)C2)n1	ZINC000191836274	416289869	/nfs/dbraw/zinc/28/98/69/416289869.db2.gz	WQVFFTKJIOIOFG-UHFFFAOYSA-N	0	0	312.326	0.689	10	5		DCBERN
CN1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O	ZINC000360471266	416392067	/nfs/dbraw/zinc/39/20/67/416392067.db2.gz	ZHBZBUGRZLIXAX-UHFFFAOYSA-N	0	0	313.335	0.100	10	5		DCBERN
CCOc1ccc(NC(=O)CN2CC(=O)N(C)C2)c([N+](=O)[O-])c1	ZINC000360493377	416392871	/nfs/dbraw/zinc/39/28/71/416392871.db2.gz	WWEUWYGSHLKJPC-UHFFFAOYSA-N	0	0	322.321	0.664	10	5		DCBERN
Cc1cc(C[C@H](C)NC(=O)c2ccnc(N)c2[N+](=O)[O-])[nH]n1	ZINC000548713174	416691414	/nfs/dbraw/zinc/69/14/14/416691414.db2.gz	DRFCIQGZDOMZKP-ZETCQYMHSA-N	0	0	304.310	0.965	10	5		DCBERN
CCOC(=O)[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC12COC2	ZINC000450567932	417239459	/nfs/dbraw/zinc/23/94/59/417239459.db2.gz	UNIZRJQKQZVFBC-SNVBAGLBSA-N	0	0	324.337	0.653	10	5		DCBERN
CC(=O)NC1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1	ZINC000189950904	261133497	/nfs/dbraw/zinc/13/34/97/261133497.db2.gz	NXXUVBPFMDPIOG-UHFFFAOYSA-N	0	0	306.322	0.667	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC(=O)N1CCOCC1	ZINC000194801428	261148880	/nfs/dbraw/zinc/14/88/80/261148880.db2.gz	RBFKNVPBNJSLAK-UHFFFAOYSA-N	0	0	321.333	0.882	10	5		DCBERN
CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCCN(CCO)C1=O	ZINC000361008460	271170099	/nfs/dbraw/zinc/17/00/99/271170099.db2.gz	WLMLIRXIYNWUEL-SNVBAGLBSA-N	0	0	311.342	0.515	10	5		DCBERN
CC(C)(C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1)n1cc([N+](=O)[O-])cn1	ZINC000408185079	278270578	/nfs/dbraw/zinc/27/05/78/278270578.db2.gz	AYCQBCOZRNISBL-ZMLRMANQSA-N	0	0	308.338	0.756	10	5		DCBERN
CC(=O)/N=c1\sc([N+](=O)[O-])cn1CC(=O)N1CCCCC1	ZINC000584657047	337378087	/nfs/dbraw/zinc/37/80/87/337378087.db2.gz	WJVXVFGBCQLOAE-SEYXRHQNSA-N	0	0	312.351	0.918	10	5		DCBERN
C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CCN1CCO	ZINC000189259445	534366248	/nfs/dbraw/zinc/36/62/48/534366248.db2.gz	USFMVXYOVIWMGO-SNVBAGLBSA-N	0	0	309.326	0.520	10	5		DCBERN
CC(=O)NC1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1	ZINC000191495074	519647744	/nfs/dbraw/zinc/64/77/44/519647744.db2.gz	QEWWZLZZMCOPSX-UHFFFAOYSA-N	0	0	307.306	0.711	10	5		DCBERN
COc1ccc(C(=O)NCC(=O)N[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000170807657	523690121	/nfs/dbraw/zinc/69/01/21/523690121.db2.gz	SFGHTNHZJMITKP-WCBMZHEXSA-N	0	0	307.306	0.858	10	5		DCBERN
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC(NC(=O)C2CC2)C1	ZINC000189419195	527244226	/nfs/dbraw/zinc/24/42/26/527244226.db2.gz	DWTHNSNBOUFZSV-UHFFFAOYSA-N	0	0	303.318	0.874	10	5		DCBERN
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCO[C@H](CO)C1	ZINC000157660950	527321886	/nfs/dbraw/zinc/32/18/86/527321886.db2.gz	XQDXTYBCBAIQOB-QMMMGPOBSA-N	0	0	320.298	0.116	10	5		DCBERN
Nc1c(C(=O)N2CC(NC(=O)C3CC3)C2)cc(F)cc1[N+](=O)[O-]	ZINC000189482393	527425330	/nfs/dbraw/zinc/42/53/30/527425330.db2.gz	ZYRFTQXHSJLNEM-UHFFFAOYSA-N	0	0	322.296	0.667	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@@H](C)O	ZINC000344892995	663080005	/nfs/dbraw/zinc/08/00/05/663080005.db2.gz	WIGVLOQXABNKIG-JGVFFNPUSA-N	0	0	304.324	0.651	10	5		DCBERN
Cc1nn(CN2CC[C@H](N3CCOCC3)C2)c(C)c1[N+](=O)[O-]	ZINC000172961667	664625995	/nfs/dbraw/zinc/62/59/95/664625995.db2.gz	XOLUEUNGJSVPDZ-ZDUSSCGKSA-N	0	0	309.370	0.772	10	5		DCBERN
CC[S@](=O)CCNC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000733961276	666832374	/nfs/dbraw/zinc/83/23/74/666832374.db2.gz	AKMSGDRDRUYHBS-FQEVSTJZSA-N	0	0	300.336	0.858	10	5		DCBERN
Nc1ccc(C(=O)NC[C@]2(CCO)CCOC2)cc1[N+](=O)[O-]	ZINC000119086486	667083023	/nfs/dbraw/zinc/08/30/23/667083023.db2.gz	SUZQJXSKOYVKBD-AWEZNQCLSA-N	0	0	309.322	0.696	10	5		DCBERN
O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc[nH]1	ZINC000130077195	669583853	/nfs/dbraw/zinc/58/38/53/669583853.db2.gz	RKKGWUGKDJIBQM-QWHCGFSZSA-N	0	0	305.290	0.747	10	5		DCBERN
O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CCC[C@@H]1O	ZINC000184541352	1187138170	/nfs/dbraw/zinc/13/81/70/1187138170.db2.gz	OSPMBEHOIHTTSB-JQWIXIFHSA-N	0	0	300.336	0.928	10	5		DCBERN
CNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1	ZINC000041910098	766951749	/nfs/dbraw/zinc/95/17/49/766951749.db2.gz	DJWRMZPTXMPBNP-UHFFFAOYSA-N	0	0	306.322	0.896	10	5		DCBERN
O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000090014831	185278030	/nfs/dbraw/zinc/27/80/30/185278030.db2.gz	RMPKQDPOQMFFEC-QMMMGPOBSA-N	0	0	311.681	0.783	10	5		DCBERN
O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2ncnn2C1	ZINC000173695184	198241882	/nfs/dbraw/zinc/24/18/82/198241882.db2.gz	KDNXYUYXGKVCSJ-NSHDSACASA-N	0	0	301.306	0.860	10	5		DCBERN
Nc1ccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)cc1[N+](=O)[O-]	ZINC000115164689	220443417	/nfs/dbraw/zinc/44/34/17/220443417.db2.gz	VHUYLJQENGTEIH-GFCCVEGCSA-N	0	0	320.349	0.770	10	5		DCBERN
Cc1c(C(=O)NC[C@@H](C)S(N)(=O)=O)cccc1[N+](=O)[O-]	ZINC000350615215	254319000	/nfs/dbraw/zinc/31/90/00/254319000.db2.gz	CCFICDFOKYBVGL-SSDOTTSWSA-N	0	0	301.324	0.310	10	5		DCBERN
CN1CCO[C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1	ZINC000108945672	395795105	/nfs/dbraw/zinc/79/51/05/395795105.db2.gz	GESKBBJZLLNBJC-VIFPVBQESA-N	0	0	319.321	0.574	10	5		DCBERN
NS(=O)(=O)c1cccc(NC[C@@H]2CCC[C@@H]2O)c1[N+](=O)[O-]	ZINC000272481187	395894372	/nfs/dbraw/zinc/89/43/72/395894372.db2.gz	JJFSVEVCTABGCZ-WPRPVWTQSA-N	0	0	315.351	0.815	10	5		DCBERN
C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCS1(=O)=O	ZINC000176803633	396161063	/nfs/dbraw/zinc/16/10/63/396161063.db2.gz	NCNWDIDAYOYGKS-QMMMGPOBSA-N	0	0	313.335	0.436	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCCn2ccnn2)cc1	ZINC000183161610	396264184	/nfs/dbraw/zinc/26/41/84/396264184.db2.gz	MKKUZABRLKBXJD-UHFFFAOYSA-N	0	0	311.323	0.555	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1CO	ZINC000179169617	396223401	/nfs/dbraw/zinc/22/34/01/396223401.db2.gz	TZJCXHZYTLHITB-OLZOCXBDSA-N	0	0	323.349	0.659	10	5		DCBERN
Cc1cc(C(=O)NCC(=O)NC2(CO)CC2)ccc1[N+](=O)[O-]	ZINC000184127633	396286274	/nfs/dbraw/zinc/28/62/74/396286274.db2.gz	KRALXNLQMJWBNV-UHFFFAOYSA-N	0	0	307.306	0.274	10	5		DCBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN(C2CC2)CCO1	ZINC000184559096	396298371	/nfs/dbraw/zinc/29/83/71/396298371.db2.gz	NEUUUVKUVRPCOH-LLVKDONJSA-N	0	0	321.337	0.165	10	5		DCBERN
COCC(=O)NC1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1	ZINC000185267714	396323664	/nfs/dbraw/zinc/32/36/64/396323664.db2.gz	MCSOUYXTXYILOQ-UHFFFAOYSA-N	0	0	321.333	0.419	10	5		DCBERN
C[C@@H]1C(=O)NCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000189324548	396393575	/nfs/dbraw/zinc/39/35/75/396393575.db2.gz	GKRKMGHEAZSOSV-NEPJUHHUSA-N	0	0	323.349	0.545	10	5		DCBERN
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN2CCOC[C@@H]2C1	ZINC000371869194	396479150	/nfs/dbraw/zinc/47/91/50/396479150.db2.gz	DWDXTVLVSIVQFI-AWEZNQCLSA-N	0	0	305.334	0.680	10	5		DCBERN
O=C([C@@H]1C[C@@H](F)CN1c1ccc([N+](=O)[O-])cn1)N1CCOCC1	ZINC000585786249	396654969	/nfs/dbraw/zinc/65/49/69/396654969.db2.gz	NPPMTYQYWNIEHY-PWSUYJOCSA-N	0	0	324.312	0.765	10	5		DCBERN
CC(=O)N1CCCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1	ZINC000596063646	396713455	/nfs/dbraw/zinc/71/34/55/396713455.db2.gz	XYQSPUNAKHEHBB-UHFFFAOYSA-N	0	0	308.338	0.728	10	5		DCBERN
Cc1ccnc(N2CCN(S(C)(=O)=O)[C@H](C)C2)c1[N+](=O)[O-]	ZINC000596479410	396783245	/nfs/dbraw/zinc/78/32/45/396783245.db2.gz	STOKLNPEQVDMJN-SNVBAGLBSA-N	0	0	314.367	0.768	10	5		DCBERN
Cc1ccnc(N2CCC[C@H]2CS(N)(=O)=O)c1[N+](=O)[O-]	ZINC000611398768	396862427	/nfs/dbraw/zinc/86/24/27/396862427.db2.gz	ZBOOTHAEDMCOLG-VIFPVBQESA-N	0	0	300.340	0.556	10	5		DCBERN
CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@H]1CCS(=O)(=O)C1	ZINC000619482506	397136036	/nfs/dbraw/zinc/13/60/36/397136036.db2.gz	LMVQACZUPXPXSP-SNVBAGLBSA-N	0	0	316.383	0.991	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCNC(=O)[C@H]2C(C)C)n1	ZINC000191800342	158571515	/nfs/dbraw/zinc/57/15/15/158571515.db2.gz	CJKDISCUHSMOQX-LLVKDONJSA-N	0	0	309.326	0.408	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@](O)(C(F)(F)F)C1	ZINC000408073016	160029123	/nfs/dbraw/zinc/02/91/23/160029123.db2.gz	PIBCHQFBZIHGCE-VIFPVBQESA-N	0	0	308.216	0.847	10	5		DCBERN
CCn1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](O)C2)c([N+](=O)[O-])n1	ZINC000408086966	160032787	/nfs/dbraw/zinc/03/27/87/160032787.db2.gz	BCNKNSUWVSYWFQ-IUCAKERBSA-N	0	0	318.355	0.203	10	5		DCBERN
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1N1CCOCC1	ZINC000408231190	160065038	/nfs/dbraw/zinc/06/50/38/160065038.db2.gz	GJPXTJHUKOZKJA-AAEUAGOBSA-N	0	0	322.365	0.726	10	5		DCBERN
C[C@]1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCC(=O)NC1	ZINC000408260137	160071277	/nfs/dbraw/zinc/07/12/77/160071277.db2.gz	SLTVBXZUZDYWBU-HNNXBMFYSA-N	0	0	318.333	0.791	10	5		DCBERN
CCn1cc(S(=O)(=O)N2CCCCCO2)c([N+](=O)[O-])n1	ZINC000408285624	160076469	/nfs/dbraw/zinc/07/64/69/160076469.db2.gz	GVYPZCXOLURJOU-UHFFFAOYSA-N	0	0	304.328	0.917	10	5		DCBERN
NC(=O)[C@@H]1CCC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1	ZINC000132882734	287007615	/nfs/dbraw/zinc/00/76/15/287007615.db2.gz	VKEDNZGIJCZLGX-ZJUUUORDSA-N	0	0	309.326	0.342	10	5		DCBERN
CC(C)[C@@H](CO)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000301538301	416084735	/nfs/dbraw/zinc/08/47/35/416084735.db2.gz	JHEDGNWIOLILGC-SNVBAGLBSA-N	0	0	303.340	0.671	10	5		DCBERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000176665130	416130897	/nfs/dbraw/zinc/13/08/97/416130897.db2.gz	FFESTFDLSATVPK-JTQLQIEISA-N	0	0	319.325	0.597	10	5		DCBERN
COC[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)OC	ZINC000358533235	416251778	/nfs/dbraw/zinc/25/17/78/416251778.db2.gz	USPXAQDMZDIQGU-LBPRGKRZSA-N	0	0	318.351	0.676	10	5		DCBERN
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000358702622	416270673	/nfs/dbraw/zinc/27/06/73/416270673.db2.gz	VWBPBDADFYYVMX-SNVBAGLBSA-N	0	0	319.325	0.890	10	5		DCBERN
Cc1cc(OCC(=O)N2CC(n3ccnn3)C2)ccc1[N+](=O)[O-]	ZINC000369167019	416729582	/nfs/dbraw/zinc/72/95/82/416729582.db2.gz	MUICQVPULJBFEB-UHFFFAOYSA-N	0	0	317.305	0.957	10	5		DCBERN
O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@]2(C1)NC(=O)NC2=O	ZINC000447749446	417024719	/nfs/dbraw/zinc/02/47/19/417024719.db2.gz	ZZBUUXVYCBJSGY-GFCCVEGCSA-N	0	0	324.318	0.471	10	5		DCBERN
CC(C)n1cc([C@@H](C)NC(=O)Cn2cnc([N+](=O)[O-])n2)cn1	ZINC000524282588	417103735	/nfs/dbraw/zinc/10/37/35/417103735.db2.gz	XFKQNRFHXRPSOE-SECBINFHSA-N	0	0	307.314	0.841	10	5		DCBERN
CCOC(=O)[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC12COC2	ZINC000450555307	417238140	/nfs/dbraw/zinc/23/81/40/417238140.db2.gz	FQJCTRNQBOGKDN-SECBINFHSA-N	0	0	310.310	0.344	10	5		DCBERN
COCC(COC)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000451887629	417409580	/nfs/dbraw/zinc/40/95/80/417409580.db2.gz	HHHCIOSOGQEBHO-UHFFFAOYSA-N	0	0	318.351	0.676	10	5		DCBERN
CCOc1ccc(C(=O)N2CC(NC(C)=O)C2)cc1[N+](=O)[O-]	ZINC000190488813	261134899	/nfs/dbraw/zinc/13/48/99/261134899.db2.gz	GKLWEWPXPXMAGG-UHFFFAOYSA-N	0	0	307.306	0.954	10	5		DCBERN
COCCNC(=O)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000195488391	261151788	/nfs/dbraw/zinc/15/17/88/261151788.db2.gz	TZTHNOCMXIKDJQ-UHFFFAOYSA-N	0	0	320.305	0.569	10	5		DCBERN
NS(=O)(=O)c1ccc(OCc2ncccn2)c([N+](=O)[O-])c1	ZINC000358357795	261661284	/nfs/dbraw/zinc/66/12/84/261661284.db2.gz	OTRMDDUFEHDCDU-UHFFFAOYSA-N	0	0	310.291	0.611	10	5		DCBERN
O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN2CCOC[C@H]2C1	ZINC000363869350	262134774	/nfs/dbraw/zinc/13/47/74/262134774.db2.gz	UHZJNWZAFBHPHX-LLVKDONJSA-N	0	0	309.297	0.891	10	5		DCBERN
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](O)C(F)F	ZINC000435584344	271566693	/nfs/dbraw/zinc/56/66/93/271566693.db2.gz	NXYSMARGJFRCDY-ZETCQYMHSA-N	0	0	311.266	0.280	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(N3CCN4CCOC[C@H]4C3)nn21	ZINC000369408154	275041681	/nfs/dbraw/zinc/04/16/81/275041681.db2.gz	KFIMIGMKZAFISS-SNVBAGLBSA-N	0	0	304.310	0.158	10	5		DCBERN
CC(C)(C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1)n1cc([N+](=O)[O-])cn1	ZINC000408185077	277123811	/nfs/dbraw/zinc/12/38/11/277123811.db2.gz	AYCQBCOZRNISBL-MVWJERBFSA-N	0	0	308.338	0.756	10	5		DCBERN
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@@H]2C1	ZINC000285834241	290167822	/nfs/dbraw/zinc/16/78/22/290167822.db2.gz	POBHXXSRIFJTFP-OCCSQVGLSA-N	0	0	321.333	0.846	10	5		DCBERN
COc1cc(S(=O)(=O)N2CC3(COC3)C2)ccc1[N+](=O)[O-]	ZINC000584626949	337376025	/nfs/dbraw/zinc/37/60/25/337376025.db2.gz	SDGBOCOGYYEWIZ-UHFFFAOYSA-N	0	0	314.319	0.624	10	5		DCBERN
CC1(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)COC1	ZINC000112617220	520727864	/nfs/dbraw/zinc/72/78/64/520727864.db2.gz	XQGOLEQHNCUFSL-UHFFFAOYSA-N	0	0	317.305	0.942	10	5		DCBERN
COc1cc(C(=O)N2CC(NC(=O)C3CC3)C2)ccc1[N+](=O)[O-]	ZINC000189464448	522065892	/nfs/dbraw/zinc/06/58/92/522065892.db2.gz	LREXMFCBQNCYRS-UHFFFAOYSA-N	0	0	319.317	0.954	10	5		DCBERN
NS(=O)(=O)c1cccc(NCC2(CCO)CC2)c1[N+](=O)[O-]	ZINC000302446626	534704453	/nfs/dbraw/zinc/70/44/53/534704453.db2.gz	OEKHJTXKSNYHJN-UHFFFAOYSA-N	0	0	315.351	0.817	10	5		DCBERN
Nc1ccnc(CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])n1	ZINC000157996229	527533899	/nfs/dbraw/zinc/53/38/99/527533899.db2.gz	AFDYQHOTGXOBRJ-UHFFFAOYSA-N	0	0	313.277	0.587	10	5		DCBERN
COC(=O)c1coc(COC(=O)Cn2cnc([N+](=O)[O-])n2)c1	ZINC000726639797	661663034	/nfs/dbraw/zinc/66/30/34/661663034.db2.gz	NHNIGFQIJADRPS-UHFFFAOYSA-N	0	0	310.222	0.309	10	5		DCBERN
Cc1cc(S(=O)(=O)NC2(CO)CC2)cc([N+](=O)[O-])c1F	ZINC000164230864	664369819	/nfs/dbraw/zinc/36/98/19/664369819.db2.gz	MYVNLUJVYFDURC-UHFFFAOYSA-N	0	0	304.299	0.846	10	5		DCBERN
CC[S@@](=O)CCNC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000733878454	666823278	/nfs/dbraw/zinc/82/32/78/666823278.db2.gz	IGSWNNBARJSWJS-HXUWFJFHSA-N	0	0	300.336	0.858	10	5		DCBERN
CC[S@@](=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000733899520	666824443	/nfs/dbraw/zinc/82/44/43/666824443.db2.gz	IXRKOXXRXSLKAE-LJQANCHMSA-N	0	0	320.392	0.950	10	5		DCBERN
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cscn1	ZINC000130254782	669600582	/nfs/dbraw/zinc/60/05/82/669600582.db2.gz	KEZCZBYXNDPWKC-ZYHUDNBSSA-N	0	0	323.330	0.876	10	5		DCBERN
O=C(NCC1CC1)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000042891900	669830008	/nfs/dbraw/zinc/83/00/08/669830008.db2.gz	QUFPXXKMTGNXRZ-QWHCGFSZSA-N	0	0	309.322	0.698	10	5		DCBERN
Cc1ccc(C(=O)NCCn2cnccc2=O)cc1[N+](=O)[O-]	ZINC000585238303	1158110874	/nfs/dbraw/zinc/11/08/74/1158110874.db2.gz	ZDNHBHLLPQESKD-UHFFFAOYSA-N	0	0	302.290	0.890	10	5		DCBERN
Nc1c(Cl)cc(C(=O)NCCc2nnc[nH]2)cc1[N+](=O)[O-]	ZINC000080633495	1174486006	/nfs/dbraw/zinc/48/60/06/1174486006.db2.gz	VVFKCXJJZATICY-UHFFFAOYSA-N	0	0	310.701	0.921	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1c[nH]cn1	ZINC000088759525	1175274007	/nfs/dbraw/zinc/27/40/07/1175274007.db2.gz	WRQLCGQFPITUGI-UHFFFAOYSA-N	0	0	312.307	0.805	10	5		DCBERN
O=[N+]([O-])c1cnc(N2C[C@H](O)[C@@H](CO)C2)c(Br)c1	ZINC000317454765	1190420764	/nfs/dbraw/zinc/42/07/64/1190420764.db2.gz	OBCSCRXOUOCIBS-MUWHJKNJSA-N	0	0	318.127	0.542	10	5		DCBERN
O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1C[C@H](O)[C@H](CO)C1	ZINC000317650909	1190423100	/nfs/dbraw/zinc/42/31/00/1190423100.db2.gz	LPIMPWRSASKDCK-KWQFWETISA-N	0	0	300.698	0.673	10	5		DCBERN
NS(=O)(=O)C1(CNC(=O)c2csc([N+](=O)[O-])c2)CCC1	ZINC000721543474	944825936	/nfs/dbraw/zinc/82/59/36/944825936.db2.gz	QBGQVIWPIUMCHC-UHFFFAOYSA-N	0	0	319.364	0.597	10	5		DCBERN
CN(C)S(=O)(=O)[C@@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1	ZINC000286656229	219107596	/nfs/dbraw/zinc/10/75/96/219107596.db2.gz	VAFOBOCBXBENCN-SECBINFHSA-N	0	0	317.371	0.189	10	5		DCBERN
CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1	ZINC000171489536	186168306	/nfs/dbraw/zinc/16/83/06/186168306.db2.gz	CXZMAMOPYYTYCK-LLVKDONJSA-N	0	0	307.306	0.954	10	5		DCBERN
Nc1c(C(=O)NCCCN2CCCC2=O)cccc1[N+](=O)[O-]	ZINC000175679593	186187721	/nfs/dbraw/zinc/18/77/21/186187721.db2.gz	ZILSAUYUIITTES-UHFFFAOYSA-N	0	0	306.322	0.919	10	5		DCBERN
Cn1nccc1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000172381727	198088711	/nfs/dbraw/zinc/08/87/11/198088711.db2.gz	LEXCQVBXKPPIRB-UHFFFAOYSA-N	0	0	318.337	0.931	10	5		DCBERN
CC[C@@H](CO)N1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1	ZINC000180872840	199222301	/nfs/dbraw/zinc/22/23/01/199222301.db2.gz	NTZAWHAZJFUQMU-NSHDSACASA-N	0	0	322.365	0.706	10	5		DCBERN
C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1O	ZINC000299900452	291251306	/nfs/dbraw/zinc/25/13/06/291251306.db2.gz	VKUBMJDVWAVVDS-JOYOIKCWSA-N	0	0	300.336	0.986	10	5		DCBERN
C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O	ZINC000121879396	132160326	/nfs/dbraw/zinc/16/03/26/132160326.db2.gz	DEWTXRXRLSCKPI-SNVBAGLBSA-N	0	0	312.347	0.783	10	5		DCBERN
Cn1cc([C@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)cn1	ZINC000116112131	395842422	/nfs/dbraw/zinc/84/24/22/395842422.db2.gz	VGDKLKLEEFIDCE-NSHDSACASA-N	0	0	318.337	0.931	10	5		DCBERN
O=C(NC[C@H](O)CN1CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC000154103862	396031647	/nfs/dbraw/zinc/03/16/47/396031647.db2.gz	DRGRCZFGBWUVPE-ZDUSSCGKSA-N	0	0	309.322	0.018	10	5		DCBERN
C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000175753940	396141749	/nfs/dbraw/zinc/14/17/49/396141749.db2.gz	UWKSXNVOAARVCD-SECBINFHSA-N	0	0	312.326	0.980	10	5		DCBERN
Cc1c(NC(=O)C(=O)N[C@H](C)[C@H](C)CO)cccc1[N+](=O)[O-]	ZINC000177790744	396183669	/nfs/dbraw/zinc/18/36/69/396183669.db2.gz	QRSVDEIGXXUEBU-PSASIEDQSA-N	0	0	309.322	0.975	10	5		DCBERN
Cc1nn(C)c(C)c1CCCNC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000180373712	396232601	/nfs/dbraw/zinc/23/26/01/396232601.db2.gz	UFBZMTLJLKAKBN-UHFFFAOYSA-N	0	0	320.353	0.891	10	5		DCBERN
COc1cc(N2CCC[C@@](O)(C(N)=O)C2)c(F)cc1[N+](=O)[O-]	ZINC000284749331	396346182	/nfs/dbraw/zinc/34/61/82/396346182.db2.gz	XJMKSMDOUWIAON-ZDUSSCGKSA-N	0	0	313.285	0.559	10	5		DCBERN
CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000188443006	396382433	/nfs/dbraw/zinc/38/24/33/396382433.db2.gz	MICKPMFHTDALRA-ZETCQYMHSA-N	0	0	321.380	0.801	10	5		DCBERN
CN1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1=O	ZINC000190634447	396408888	/nfs/dbraw/zinc/40/88/88/396408888.db2.gz	YYISOPBWOGGCIU-UHFFFAOYSA-N	0	0	307.306	0.664	10	5		DCBERN
COc1cc(C(=O)N2CCNC(=O)CC2)cc([N+](=O)[O-])c1C	ZINC000191209187	396416521	/nfs/dbraw/zinc/41/65/21/396416521.db2.gz	BVMSCZPFBCMBKV-UHFFFAOYSA-N	0	0	307.306	0.874	10	5		DCBERN
O=[N+]([O-])c1ccc(OCCN2CCN3CCOC[C@@H]3C2)cc1	ZINC000371827990	396477919	/nfs/dbraw/zinc/47/79/19/396477919.db2.gz	CCZZXUXCZLUGKE-AWEZNQCLSA-N	0	0	307.350	0.990	10	5		DCBERN
CCOc1cccc(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)n1	ZINC000610760367	396760428	/nfs/dbraw/zinc/76/04/28/396760428.db2.gz	CNEQLCQVLRFCNC-UHFFFAOYSA-N	0	0	319.321	0.944	10	5		DCBERN
CC(=O)N1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1	ZINC000590374747	396764429	/nfs/dbraw/zinc/76/44/29/396764429.db2.gz	HOQLEGDNRHCEET-SECBINFHSA-N	0	0	308.294	0.294	10	5		DCBERN
Cc1ccnc(N2CCC[C@@H]2CS(N)(=O)=O)c1[N+](=O)[O-]	ZINC000611398767	396862309	/nfs/dbraw/zinc/86/23/09/396862309.db2.gz	ZBOOTHAEDMCOLG-SECBINFHSA-N	0	0	300.340	0.556	10	5		DCBERN
O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@@H]3COC[C@H](C2)O3)c1	ZINC000619753445	397189524	/nfs/dbraw/zinc/18/95/24/397189524.db2.gz	KWMKMRKRXFACOK-PHIMTYICSA-N	0	0	314.319	0.383	10	5		DCBERN
CCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1=O	ZINC000619801944	397194932	/nfs/dbraw/zinc/19/49/32/397194932.db2.gz	QVBAHQQTCUJJGG-JTQLQIEISA-N	0	0	307.306	0.954	10	5		DCBERN
COCc1cncc(C(=O)NCCn2cc([N+](=O)[O-])cn2)c1	ZINC000613188582	397213161	/nfs/dbraw/zinc/21/31/61/397213161.db2.gz	IFGBACWQRHGZSW-UHFFFAOYSA-N	0	0	305.294	0.763	10	5		DCBERN
C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000599110426	397340355	/nfs/dbraw/zinc/34/03/55/397340355.db2.gz	HANSTVFZIDIFNR-IONNQARKSA-N	0	0	303.315	0.763	10	5		DCBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2COC[C@H](C1)O2	ZINC000578366144	397428181	/nfs/dbraw/zinc/42/81/81/397428181.db2.gz	ODCJTHLSNWVGJQ-AOOOYVTPSA-N	0	0	314.319	0.383	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNC[C@H]1C	ZINC000054371020	286384528	/nfs/dbraw/zinc/38/45/28/286384528.db2.gz	KCPRMKPCXKZJPY-SECBINFHSA-N	0	0	315.351	0.586	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000177981817	158452760	/nfs/dbraw/zinc/45/27/60/158452760.db2.gz	KNCLJUQVMNJYNM-RISCZKNCSA-N	0	0	308.338	0.945	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1	ZINC000408023794	160015068	/nfs/dbraw/zinc/01/50/68/160015068.db2.gz	VIHXDRJCPRFOEJ-KBPBESRZSA-N	0	0	320.349	0.843	10	5		DCBERN
Cc1n[nH]c(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-]	ZINC000408028468	160015548	/nfs/dbraw/zinc/01/55/48/160015548.db2.gz	DTJAFGDALRBTLO-ZJUUUORDSA-N	0	0	309.326	0.171	10	5		DCBERN
CN1CCN(C(=O)CN2CCc3ncc([N+](=O)[O-])cc3C2)CC1	ZINC000408198915	160058645	/nfs/dbraw/zinc/05/86/45/160058645.db2.gz	PBRRDFWQRMXOGH-UHFFFAOYSA-N	0	0	319.365	0.122	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CNC(=O)C2)C1	ZINC000408271662	160073387	/nfs/dbraw/zinc/07/33/87/160073387.db2.gz	RAKSDUURSGCDQN-CQSZACIVSA-N	0	0	304.306	0.650	10	5		DCBERN
CC(=O)N[C@@H]1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1	ZINC000151773898	287036103	/nfs/dbraw/zinc/03/61/03/287036103.db2.gz	CUBAFKYEQKXBGY-LLVKDONJSA-N	0	0	324.341	0.101	10	5		DCBERN
COCc1nc2n(n1)CCC[C@H]2Nc1ncc([N+](=O)[O-])c(N)n1	ZINC000268387340	415204174	/nfs/dbraw/zinc/20/41/74/415204174.db2.gz	LEPHVVPBVFFRNT-SSDOTTSWSA-N	0	0	320.313	0.652	10	5		DCBERN
O=C(N[C@H]1CCC(=O)NC1=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000152751873	415970207	/nfs/dbraw/zinc/97/02/07/415970207.db2.gz	ZGLFPZKLQDVPCV-QMMMGPOBSA-N	0	0	311.681	0.783	10	5		DCBERN
O=c1c([N+](=O)[O-])c(NCC2(O)CCOCC2)nc2ccccn12	ZINC000301196035	416077789	/nfs/dbraw/zinc/07/77/89/416077789.db2.gz	NKPRKXZENSQYHP-UHFFFAOYSA-N	0	0	320.305	0.556	10	5		DCBERN
COC[C@](C)(CCO)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000182837975	416233336	/nfs/dbraw/zinc/23/33/36/416233336.db2.gz	PNACOTQLDAZHED-AWEZNQCLSA-N	0	0	322.321	0.988	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)C2(C(N)=O)CCCC2)n1	ZINC000191689093	416287821	/nfs/dbraw/zinc/28/78/21/416287821.db2.gz	OXSRRECOLJJJRV-UHFFFAOYSA-N	0	0	309.326	0.681	10	5		DCBERN
C[C@H](CC(=O)c1ccco1)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000434304400	416470491	/nfs/dbraw/zinc/47/04/91/416470491.db2.gz	FUXKHKKNUNOBMN-MRVPVSSYSA-N	0	0	307.266	0.557	10	5		DCBERN
Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN2CCOC[C@@H]2C1	ZINC000369389938	416769169	/nfs/dbraw/zinc/76/91/69/416769169.db2.gz	UVBIYBVCTZLOKR-JTQLQIEISA-N	0	0	306.322	0.334	10	5		DCBERN
O=C(c1ccncc1)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1	ZINC000302145523	230122064	/nfs/dbraw/zinc/12/20/64/230122064.db2.gz	HLSYCZFVZMHVPW-UHFFFAOYSA-N	0	0	314.305	0.742	10	5		DCBERN
CC1(C)CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)O1	ZINC000187344464	261123774	/nfs/dbraw/zinc/12/37/74/261123774.db2.gz	QTJNIFDYQFDZOR-LLVKDONJSA-N	0	0	309.322	0.830	10	5		DCBERN
CC(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1	ZINC000356460562	261426147	/nfs/dbraw/zinc/42/61/47/261426147.db2.gz	SECQDJQCSZOHEZ-UHFFFAOYSA-N	0	0	307.310	0.512	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCOC[C@@H]1c1ccccc1	ZINC000362331339	262022605	/nfs/dbraw/zinc/02/26/05/262022605.db2.gz	BUWSFOBALVHJSZ-GFCCVEGCSA-N	0	0	317.305	0.786	10	5		DCBERN
CNc1c(C(=O)N2CCN3CCOC[C@@H]3C2)cccc1[N+](=O)[O-]	ZINC000360930451	271165613	/nfs/dbraw/zinc/16/56/13/271165613.db2.gz	ISOUFDAOPSWQMF-NSHDSACASA-N	0	0	320.349	0.793	10	5		DCBERN
CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCCN(CCO)C1=O	ZINC000361008454	271169015	/nfs/dbraw/zinc/16/90/15/271169015.db2.gz	WLMLIRXIYNWUEL-JTQLQIEISA-N	0	0	311.342	0.515	10	5		DCBERN
CN1C(=O)N[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CC[C@@H]21	ZINC000284569757	277017851	/nfs/dbraw/zinc/01/78/51/277017851.db2.gz	MYUWXHKJZVGELF-SFYZADRCSA-N	0	0	322.350	0.906	10	5		DCBERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000187172975	279137107	/nfs/dbraw/zinc/13/71/07/279137107.db2.gz	MCIHYSZFUVSEAE-SECBINFHSA-N	0	0	318.293	0.860	10	5		DCBERN
CCN(Cc1cnn(C)c1)c1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000299378080	279242570	/nfs/dbraw/zinc/24/25/70/279242570.db2.gz	YNDAOVFJUWQEQH-UHFFFAOYSA-N	0	0	304.310	0.849	10	5		DCBERN
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1N1CCOCC1	ZINC000286071278	279813693	/nfs/dbraw/zinc/81/36/93/279813693.db2.gz	LVLNBVGERFTKGQ-ONGXEEELSA-N	0	0	309.326	0.111	10	5		DCBERN
Cc1cc(C(=O)NC[C@@H](O)CN2CCOCC2)ccc1[N+](=O)[O-]	ZINC000154110531	280349758	/nfs/dbraw/zinc/34/97/58/280349758.db2.gz	JIUVTTDYDAPGKR-CYBMUJFWSA-N	0	0	323.349	0.326	10	5		DCBERN
CC(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1	ZINC000552352651	288273445	/nfs/dbraw/zinc/27/34/45/288273445.db2.gz	OLZMFVJIZGNOCR-VIFPVBQESA-N	0	0	308.294	0.294	10	5		DCBERN
Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)n(C)n1	ZINC000155937685	525165582	/nfs/dbraw/zinc/16/55/82/525165582.db2.gz	NLJRKUFFMFESIL-UHFFFAOYSA-N	0	0	305.294	0.746	10	5		DCBERN
C[S@@](=O)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000116901555	525367086	/nfs/dbraw/zinc/36/70/86/525367086.db2.gz	WTDNHHPEMJSJHS-KRWDZBQOSA-N	0	0	312.394	0.703	10	5		DCBERN
C[S@](=O)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000116901557	525384252	/nfs/dbraw/zinc/38/42/52/525384252.db2.gz	WTDNHHPEMJSJHS-QGZVFWFLSA-N	0	0	312.394	0.703	10	5		DCBERN
Cc1cc(S(=O)(=O)N2CC(CO)C2)cc([N+](=O)[O-])c1F	ZINC000184901936	525393064	/nfs/dbraw/zinc/39/30/64/525393064.db2.gz	CNQLWLUMACBABQ-UHFFFAOYSA-N	0	0	304.299	0.655	10	5		DCBERN
COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3ncnn3C2)c1	ZINC000112648096	525448570	/nfs/dbraw/zinc/44/85/70/525448570.db2.gz	GUVSGCXCOPOTLL-SECBINFHSA-N	0	0	317.305	0.940	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCNC(=O)[C@H]1C	ZINC000189245845	525456133	/nfs/dbraw/zinc/45/61/33/525456133.db2.gz	OTRJHCBKPWWNCM-SECBINFHSA-N	0	0	307.306	0.954	10	5		DCBERN
CS(=O)(=O)N[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1	ZINC000172021703	664614922	/nfs/dbraw/zinc/61/49/22/664614922.db2.gz	ULJVHTNJEXXCBX-NSHDSACASA-N	0	0	317.342	0.857	10	5		DCBERN
Cc1noc([C@@H](C)N2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)n1	ZINC000152640933	664767381	/nfs/dbraw/zinc/76/73/81/664767381.db2.gz	UNUYGHHDBQXRGF-SNVBAGLBSA-N	0	0	321.341	0.819	10	5		DCBERN
CC[S@](=O)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000733899785	666824622	/nfs/dbraw/zinc/82/46/22/666824622.db2.gz	OIBMMXSNGMVRNJ-IBGZPJMESA-N	0	0	320.392	0.950	10	5		DCBERN
O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccncc1	ZINC000120110978	667259827	/nfs/dbraw/zinc/25/98/27/667259827.db2.gz	JATLYVHHUZOKHB-UONOGXRCSA-N	0	0	317.301	0.814	10	5		DCBERN
C[C@@H](C(N)=O)N(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000711101704	667448976	/nfs/dbraw/zinc/44/89/76/667448976.db2.gz	ZLGIQHOSQZLISA-LURJTMIESA-N	0	0	305.287	0.228	10	5		DCBERN
CS(=O)(=O)CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000037750769	685054587	/nfs/dbraw/zinc/05/45/87/685054587.db2.gz	OOXKGSFLPTWETE-UHFFFAOYSA-N	0	0	315.307	0.382	10	5		DCBERN
C[C@@H](C(=O)N1CC[C@@H](NC(N)=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000567175705	291341407	/nfs/dbraw/zinc/34/14/07/291341407.db2.gz	LTFCDPRIMBMDIV-MWLCHTKSSA-N	0	0	306.322	0.968	10	5		DCBERN
CN1CCN(Nc2[nH]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])CC1	ZINC000040623721	183109964	/nfs/dbraw/zinc/10/99/64/183109964.db2.gz	GULUMDXWIUPZJL-UHFFFAOYSA-N	0	0	324.389	0.674	10	5		DCBERN
CC(=O)N1CC[C@@H](CN(C)c2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC000339057822	253026821	/nfs/dbraw/zinc/02/68/21/253026821.db2.gz	KDRWQMQTSBPNQI-JTQLQIEISA-N	0	0	321.337	0.393	10	5		DCBERN
C[C@@H](NC(N)=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000045477888	395763428	/nfs/dbraw/zinc/76/34/28/395763428.db2.gz	YVSYAIRRYZKOHC-SNVBAGLBSA-N	0	0	321.337	0.300	10	5		DCBERN
Cn1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O	ZINC000150737751	395971726	/nfs/dbraw/zinc/97/17/26/395971726.db2.gz	MCVQOSZCEDDZPT-UHFFFAOYSA-N	0	0	304.262	0.245	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCS1(=O)=O	ZINC000153436486	396024708	/nfs/dbraw/zinc/02/47/08/396024708.db2.gz	CSMVZQTUGNCDNL-JTQLQIEISA-N	0	0	313.335	0.605	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(CO)CC1	ZINC000164242423	396087775	/nfs/dbraw/zinc/08/77/75/396087775.db2.gz	YUSWCRULNHDISM-UHFFFAOYSA-N	0	0	302.308	0.407	10	5		DCBERN
COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN(C)CCO2)c1	ZINC000171286178	396112341	/nfs/dbraw/zinc/11/23/41/396112341.db2.gz	VYFFNSWTXJZMHC-LLVKDONJSA-N	0	0	309.322	0.664	10	5		DCBERN
O=C(COc1ccccc1[N+](=O)[O-])NCCCn1ccnn1	ZINC000183008286	396258179	/nfs/dbraw/zinc/25/81/79/396258179.db2.gz	GUNMQPPYVLWEOQ-UHFFFAOYSA-N	0	0	305.294	0.772	10	5		DCBERN
COc1cc(CN2C(=O)N[C@]3(CCOC3)C2=O)ccc1[N+](=O)[O-]	ZINC000611509481	396876641	/nfs/dbraw/zinc/87/66/41/396876641.db2.gz	ANSFHNBGESOISB-AWEZNQCLSA-N	0	0	321.289	0.814	10	5		DCBERN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cn(C)nn1	ZINC000611934841	396951673	/nfs/dbraw/zinc/95/16/73/396951673.db2.gz	HHILKQQNQINRPY-UHFFFAOYSA-N	0	0	311.323	0.510	10	5		DCBERN
CCCc1n[nH]c(C(=O)N[C@@H]2CCN(CC)C2=O)c1[N+](=O)[O-]	ZINC000619825177	397197616	/nfs/dbraw/zinc/19/76/16/397197616.db2.gz	JCDVDLGFBJVMQB-SECBINFHSA-N	0	0	309.326	0.621	10	5		DCBERN
O=C(N1CCCC1)[C@@]1(O)CCCN(c2ncccc2[N+](=O)[O-])C1	ZINC000408033691	397344694	/nfs/dbraw/zinc/34/46/94/397344694.db2.gz	AMPXCOPRVLXFAP-OAHLLOKOSA-N	0	0	320.349	0.944	10	5		DCBERN
CO[C@@](C)(CO)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000594485389	397562169	/nfs/dbraw/zinc/56/21/69/397562169.db2.gz	RQHMXZPZVHDRKK-LLVKDONJSA-N	0	0	304.324	0.271	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCN(C2CC2)C(=O)C1	ZINC000610497485	397826980	/nfs/dbraw/zinc/82/69/80/397826980.db2.gz	ISVNEXBZKHOIID-UHFFFAOYSA-N	0	0	306.278	0.142	10	5		DCBERN
CC(=O)N[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1	ZINC000067831818	158040423	/nfs/dbraw/zinc/04/04/23/158040423.db2.gz	DOIFDGJZWOCWDY-NSHDSACASA-N	0	0	309.326	0.227	10	5		DCBERN
C[C@@](O)(CO)CNC(=O)CSc1ccc([N+](=O)[O-])cc1	ZINC000090286452	158103296	/nfs/dbraw/zinc/10/32/96/158103296.db2.gz	QOVWBHJFQIILPO-LBPRGKRZSA-N	0	0	300.336	0.546	10	5		DCBERN
COCC(=O)N(C)CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C	ZINC000122907656	158225094	/nfs/dbraw/zinc/22/50/94/158225094.db2.gz	BSLBGTZGUQYQNG-SNVBAGLBSA-N	0	0	321.333	0.977	10	5		DCBERN
CN1CCO[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000171094163	158379845	/nfs/dbraw/zinc/37/98/45/158379845.db2.gz	LVILFFVPVYGWBD-MRVPVSSYSA-N	0	0	321.380	0.265	10	5		DCBERN
COCCCOC1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1	ZINC000177530588	158447590	/nfs/dbraw/zinc/44/75/90/158447590.db2.gz	QZRMUQLHOCTVBX-UHFFFAOYSA-N	0	0	312.326	0.364	10	5		DCBERN
C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cnc1N)[S@](C)=O	ZINC000227887951	158619771	/nfs/dbraw/zinc/61/97/71/158619771.db2.gz	YTPOXEFPXLZWCM-JKNYTWMOSA-N	0	0	300.340	0.459	10	5		DCBERN
Cc1n[nH]c(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-]	ZINC000408028462	160015621	/nfs/dbraw/zinc/01/56/21/160015621.db2.gz	DTJAFGDALRBTLO-NXEZZACHSA-N	0	0	309.326	0.171	10	5		DCBERN
CC(C)N1C(=O)CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1(C)C	ZINC000408070967	160028015	/nfs/dbraw/zinc/02/80/15/160028015.db2.gz	IRVNJELHPSOUNF-UHFFFAOYSA-N	0	0	309.326	0.789	10	5		DCBERN
C[C@@H]1C[C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC(=O)N1	ZINC000408201794	160059467	/nfs/dbraw/zinc/05/94/67/160059467.db2.gz	KBHRVDNYNXIURN-ZJUUUORDSA-N	0	0	318.333	0.789	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@H](C)CO	ZINC000158776647	416003254	/nfs/dbraw/zinc/00/32/54/416003254.db2.gz	KMXCGFQYQHQWDZ-BDAKNGLRSA-N	0	0	318.351	0.899	10	5		DCBERN
CC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C[C@@H](C)O	ZINC000174849198	416088135	/nfs/dbraw/zinc/08/81/35/416088135.db2.gz	GMPOJGCGGKWPQF-CHWSQXEVSA-N	0	0	311.386	0.568	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(N3CCN(c4ncc[nH]4)CC3)nn21	ZINC000357666664	416112792	/nfs/dbraw/zinc/11/27/92/416112792.db2.gz	ZPNUMLQIGLETFX-UHFFFAOYSA-N	0	0	314.309	0.687	10	5		DCBERN
CNC(=O)[C@@H](NC(=O)CCn1cc([N+](=O)[O-])nc1C)C(C)C	ZINC000178683535	416169120	/nfs/dbraw/zinc/16/91/20/416169120.db2.gz	OKGUNAPBSAXQLD-LBPRGKRZSA-N	0	0	311.342	0.377	10	5		DCBERN
CCNC(=O)C1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C1	ZINC000178127316	416158041	/nfs/dbraw/zinc/15/80/41/416158041.db2.gz	PKQJSADYRDKGDV-UHFFFAOYSA-N	0	0	306.322	0.601	10	5		DCBERN
O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@H](N2CCOCC2)C1	ZINC000183567820	416245132	/nfs/dbraw/zinc/24/51/32/416245132.db2.gz	HQSMGXNYRTXSDJ-NSHDSACASA-N	0	0	321.337	0.928	10	5		DCBERN
CC[C@H](C)NC(=O)CCNC(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191563741	416287712	/nfs/dbraw/zinc/28/77/12/416287712.db2.gz	QEPJSJYJVKDROG-VIFPVBQESA-N	0	0	311.342	0.846	10	5		DCBERN
CN1Cc2ccccc2[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC000535279476	416519628	/nfs/dbraw/zinc/51/96/28/416519628.db2.gz	BSNGTCYAXPRUTF-LBPRGKRZSA-N	0	0	316.321	0.489	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3COC[C@H](C2)O3)cc1	ZINC000514922311	416681360	/nfs/dbraw/zinc/68/13/60/416681360.db2.gz	YWYWMSUSQUYEBX-PHIMTYICSA-N	0	0	314.319	0.383	10	5		DCBERN
Nc1nccc(C(=O)NC[C@H](CO)c2ccccc2)c1[N+](=O)[O-]	ZINC000548059709	416684499	/nfs/dbraw/zinc/68/44/99/416684499.db2.gz	RGWJJZFTAWRIFE-LLVKDONJSA-N	0	0	316.317	1.078	10	5		DCBERN
NC(=O)N[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1	ZINC000444660249	416857986	/nfs/dbraw/zinc/85/79/86/416857986.db2.gz	JCWOUVJVPVUPCO-MRVPVSSYSA-N	0	0	304.310	0.714	10	5		DCBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCN(S(C)(=O)=O)CC2)n1	ZINC000408170828	417147641	/nfs/dbraw/zinc/14/76/41/417147641.db2.gz	GFVSHVULMVZGDL-UHFFFAOYSA-N	0	0	314.367	0.688	10	5		DCBERN
COc1cc(CN2CC[C@H](NC(N)=O)C2)c([N+](=O)[O-])cc1F	ZINC000362325074	262022973	/nfs/dbraw/zinc/02/29/73/262022973.db2.gz	MWZDUBHGNSLPMI-VIFPVBQESA-N	0	0	312.301	0.985	10	5		DCBERN
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1ncc([N+](=O)[O-])cn1	ZINC000362672437	262059307	/nfs/dbraw/zinc/05/93/07/262059307.db2.gz	ZJROJIFYVKSQPF-SFYZADRCSA-N	0	0	311.298	0.253	10	5		DCBERN
Cc1cc(NC(=O)NC[C@H](O)Cn2ccnn2)ccc1[N+](=O)[O-]	ZINC000459480153	271997756	/nfs/dbraw/zinc/99/77/56/271997756.db2.gz	JIGWJVMRURXDOX-NSHDSACASA-N	0	0	320.309	0.677	10	5		DCBERN
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@H]2C1	ZINC000285834234	290235691	/nfs/dbraw/zinc/23/56/91/290235691.db2.gz	POBHXXSRIFJTFP-GXTWGEPZSA-N	0	0	321.333	0.846	10	5		DCBERN
NC(=O)c1ccc(N2CC[C@@H](N3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000173976908	295182305	/nfs/dbraw/zinc/18/23/05/295182305.db2.gz	DTCRNRZHHPPFTG-GFCCVEGCSA-N	0	0	320.349	0.605	10	5		DCBERN
O=C(c1ccc(N2CC(CO)C2)c([N+](=O)[O-])c1)N1CCOCC1	ZINC000583358239	332349976	/nfs/dbraw/zinc/34/99/76/332349976.db2.gz	MHSMBFWDMLTDKR-UHFFFAOYSA-N	0	0	321.333	0.496	10	5		DCBERN
CCCc1n[nH]c(C(=O)N[C@H]2CCC(=O)N(C)C2)c1[N+](=O)[O-]	ZINC000130940042	521329396	/nfs/dbraw/zinc/32/93/96/521329396.db2.gz	LUVHHQFBLPLAOX-QMMMGPOBSA-N	0	0	309.326	0.621	10	5		DCBERN
CCc1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)cc1[N+](=O)[O-]	ZINC000152145149	523892475	/nfs/dbraw/zinc/89/24/75/523892475.db2.gz	RQKGUSQAGCYJHW-SNVBAGLBSA-N	0	0	305.290	0.692	10	5		DCBERN
Cc1cc(C(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)[nH]n1	ZINC000130091655	524147589	/nfs/dbraw/zinc/14/75/89/524147589.db2.gz	NZIXKVDDNXGYGQ-CHWSQXEVSA-N	0	0	320.305	0.451	10	5		DCBERN
Cn1nccc1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	ZINC000129619580	527611468	/nfs/dbraw/zinc/61/14/68/527611468.db2.gz	VBOGXWZDSWCXPQ-UHFFFAOYSA-N	0	0	324.362	0.990	10	5		DCBERN
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@@H]2C1	ZINC000285114299	536479998	/nfs/dbraw/zinc/47/99/98/536479998.db2.gz	VAEQHAWWJDETCO-DGCLKSJQSA-N	0	0	321.333	0.846	10	5		DCBERN
O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCNC(=O)CC1	ZINC000044782005	664371101	/nfs/dbraw/zinc/37/11/01/664371101.db2.gz	DBBKXNQFDJTGLN-UHFFFAOYSA-N	0	0	306.278	0.282	10	5		DCBERN
CN(CCOC(=O)[C@@H]1CNC(=O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000171498486	664609155	/nfs/dbraw/zinc/60/91/55/664609155.db2.gz	RAHHHQHGUHDSDV-JTQLQIEISA-N	0	0	307.306	0.710	10	5		DCBERN
CC(=O)N1CSC[C@H]1c1nc(-c2c([N+](=O)[O-])ncn2C)no1	ZINC000350885418	664739423	/nfs/dbraw/zinc/73/94/23/664739423.db2.gz	DBNWUNWTLPIACM-ZETCQYMHSA-N	0	0	324.322	0.972	10	5		DCBERN
Cc1cc(C)n(C[C@H]2CN(Cn3cc([N+](=O)[O-])cn3)CCO2)n1	ZINC000152870975	664777347	/nfs/dbraw/zinc/77/73/47/664777347.db2.gz	WICWWWSVUCLZLD-CQSZACIVSA-N	0	0	320.353	0.963	10	5		DCBERN
CC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000733557723	666763227	/nfs/dbraw/zinc/76/32/27/666763227.db2.gz	FVKVARPMQAQQOQ-VIFPVBQESA-N	0	0	310.262	0.925	10	5		DCBERN
CC[S@](=O)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000733899621	666824618	/nfs/dbraw/zinc/82/46/18/666824618.db2.gz	KZGWTTSQCFLAPX-SFHVURJKSA-N	0	0	306.365	0.642	10	5		DCBERN
Cc1ncc2c(n1)CCC[C@H]2NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000734800202	666913607	/nfs/dbraw/zinc/91/36/07/666913607.db2.gz	DSFYGSJUBRWFKD-LLVKDONJSA-N	0	0	317.309	0.479	10	5		DCBERN
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccncc1	ZINC000120110644	667260235	/nfs/dbraw/zinc/26/02/35/667260235.db2.gz	JATLYVHHUZOKHB-ZIAGYGMSSA-N	0	0	317.301	0.814	10	5		DCBERN
Cn1nnc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n1	ZINC000313655910	1190397135	/nfs/dbraw/zinc/39/71/35/1190397135.db2.gz	KDVKZPFWKSTWOA-UHFFFAOYSA-N	0	0	302.247	0.058	10	5		DCBERN
CC(=O)NC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)CCO1	ZINC000172141190	198045909	/nfs/dbraw/zinc/04/59/09/198045909.db2.gz	ZXERILJCHKSHBL-ZDUSSCGKSA-N	0	0	321.333	0.880	10	5		DCBERN
Cc1nc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)no1	ZINC000154752044	291215394	/nfs/dbraw/zinc/21/53/94/291215394.db2.gz	MZXQMSTWTCGRNP-UHFFFAOYSA-N	0	0	312.307	0.906	10	5		DCBERN
Nc1nnc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000020201318	182196842	/nfs/dbraw/zinc/19/68/42/182196842.db2.gz	SEFOYIQATXRUHG-UHFFFAOYSA-N	0	0	315.336	0.507	10	5		DCBERN
Cn1c2ncn(Cc3csc([N+](=O)[O-])c3)c2c(=O)n(C)c1=O	ZINC000047171843	183582642	/nfs/dbraw/zinc/58/26/42/183582642.db2.gz	OHGVSMSBESLVPZ-UHFFFAOYSA-N	0	0	321.318	0.452	10	5		DCBERN
COc1cc(NC[C@@H](C)S(N)(=O)=O)c(F)cc1[N+](=O)[O-]	ZINC000346171919	254018217	/nfs/dbraw/zinc/01/82/17/254018217.db2.gz	BXGRZWCIDFIUBM-ZCFIWIBFSA-N	0	0	307.303	0.831	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](O)C1	ZINC000035623869	395721325	/nfs/dbraw/zinc/72/13/25/395721325.db2.gz	YMSWHHCJNGCASY-SNVBAGLBSA-N	0	0	316.335	0.749	10	5		DCBERN
CCc1nn(C)c(N2CCS(=O)(=O)C(C)(C)C2)c1[N+](=O)[O-]	ZINC000091739097	395727380	/nfs/dbraw/zinc/72/73/80/395727380.db2.gz	CQUGOWDMQNCUOM-UHFFFAOYSA-N	0	0	316.383	0.904	10	5		DCBERN
CO[C@@H]1CC[C@@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1	ZINC000246903297	395960995	/nfs/dbraw/zinc/96/09/95/395960995.db2.gz	RMWBVYHBLUPGPL-AGIUHOORSA-N	0	0	324.337	0.586	10	5		DCBERN
C[NH+](C)C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCO1	ZINC000152089753	396000331	/nfs/dbraw/zinc/00/03/31/396000331.db2.gz	CGQMGTUCUZMPNZ-SNVBAGLBSA-N	0	0	309.322	0.703	10	5		DCBERN
CN1CCO[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21	ZINC000151913635	395996770	/nfs/dbraw/zinc/99/67/70/395996770.db2.gz	OMWLWPDARKXCAC-QWHCGFSZSA-N	0	0	309.297	0.889	10	5		DCBERN
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@@+]2([O-])CCC[C@@H]12)[C@H](C)O	ZINC000253623451	396031642	/nfs/dbraw/zinc/03/16/42/396031642.db2.gz	ZRIYCGOWLRWLAO-RDUHTLEXSA-N	0	0	302.391	0.686	10	5		DCBERN
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCCOC1	ZINC000171567713	396118750	/nfs/dbraw/zinc/11/87/50/396118750.db2.gz	LWTGYVSGIAMYFL-LLVKDONJSA-N	0	0	307.306	0.620	10	5		DCBERN
Cc1c(NC(=O)CC[N@@H+]2C[C@H](O)C[C@@H]2CO)cccc1[N+](=O)[O-]	ZINC000179176228	396223302	/nfs/dbraw/zinc/22/33/02/396223302.db2.gz	CXIZTZPXYIWEPS-VXGBXAGGSA-N	0	0	323.349	0.659	10	5		DCBERN
O=C(CCn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(CCOC2)C1	ZINC000187146538	396364540	/nfs/dbraw/zinc/36/45/40/396364540.db2.gz	FSYJMLMPVCXFTM-ZDUSSCGKSA-N	0	0	310.310	0.199	10	5		DCBERN
C[C@@H]1C(=O)NCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000189290984	396392740	/nfs/dbraw/zinc/39/27/40/396392740.db2.gz	ANNOYOFYBLLIPE-YPMHNXCESA-N	0	0	323.349	0.545	10	5		DCBERN
CN1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1=O	ZINC000189811136	396400147	/nfs/dbraw/zinc/40/01/47/396400147.db2.gz	SEDVJCXIUIFPRV-UHFFFAOYSA-N	0	0	307.306	0.664	10	5		DCBERN
CN1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O	ZINC000191084994	396415238	/nfs/dbraw/zinc/41/52/38/396415238.db2.gz	VHRLZMINPZDHLH-UHFFFAOYSA-N	0	0	306.322	0.697	10	5		DCBERN
CO[C@@](C)(CO)CNc1c(Br)cncc1[N+](=O)[O-]	ZINC000594590167	396489014	/nfs/dbraw/zinc/48/90/14/396489014.db2.gz	VKIPBJVZWUEXDL-SNVBAGLBSA-N	0	0	320.143	0.984	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC(CO)C1	ZINC000595401091	396602649	/nfs/dbraw/zinc/60/26/49/396602649.db2.gz	SCDRRUCVOYGUCP-UHFFFAOYSA-N	0	0	300.336	0.952	10	5		DCBERN
O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN2CCOC[C@@H]2C1	ZINC000374972910	396701871	/nfs/dbraw/zinc/70/18/71/396701871.db2.gz	YKMNWEAXXUQXTL-NSHDSACASA-N	0	0	309.297	0.891	10	5		DCBERN
NS(=O)(=O)C[C@@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-]	ZINC000611398651	396861595	/nfs/dbraw/zinc/86/15/95/396861595.db2.gz	YRMPAIGLMXOXCA-VIFPVBQESA-N	0	0	303.315	0.991	10	5		DCBERN
COc1cc(CN2C(=O)N[C@@]3(CCOC3)C2=O)ccc1[N+](=O)[O-]	ZINC000611509482	396878711	/nfs/dbraw/zinc/87/87/11/396878711.db2.gz	ANSFHNBGESOISB-CQSZACIVSA-N	0	0	321.289	0.814	10	5		DCBERN
CCN1CC[C@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1=O	ZINC000619802966	397195911	/nfs/dbraw/zinc/19/59/11/397195911.db2.gz	SQNAEYPGWFSSJN-NSHDSACASA-N	0	0	323.353	0.535	10	5		DCBERN
O=C(N1CCCC1)[C@]1(O)CCCN(c2ncccc2[N+](=O)[O-])C1	ZINC000408033690	397344765	/nfs/dbraw/zinc/34/47/65/397344765.db2.gz	AMPXCOPRVLXFAP-HNNXBMFYSA-N	0	0	320.349	0.944	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)n1	ZINC000408106001	397347530	/nfs/dbraw/zinc/34/75/30/397347530.db2.gz	RPOBZKNOJJNQKZ-MNOVXSKESA-N	0	0	310.310	0.348	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)C(=O)C1	ZINC000610497495	397826795	/nfs/dbraw/zinc/82/67/95/397826795.db2.gz	LLEODHXNUBUHLY-UHFFFAOYSA-N	0	0	304.306	0.745	10	5		DCBERN
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(C2CC2)C(=O)C1	ZINC000610497528	397827232	/nfs/dbraw/zinc/82/72/32/397827232.db2.gz	RSVVQCHXGYAAEE-UHFFFAOYSA-N	0	0	303.318	0.971	10	5		DCBERN
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC(=O)N(C)C1	ZINC000408132696	160044329	/nfs/dbraw/zinc/04/43/29/160044329.db2.gz	LFCMTCVJSHJARS-UHFFFAOYSA-N	0	0	313.335	0.632	10	5		DCBERN
C[C@@H]1C[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC(=O)N1	ZINC000408201791	160058712	/nfs/dbraw/zinc/05/87/12/160058712.db2.gz	KBHRVDNYNXIURN-NXEZZACHSA-N	0	0	318.333	0.789	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000408350029	160089761	/nfs/dbraw/zinc/08/97/61/160089761.db2.gz	NSCZVWXXJCIEIY-MFKMUULPSA-N	0	0	309.326	0.340	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1	ZINC000152507106	287041929	/nfs/dbraw/zinc/04/19/29/287041929.db2.gz	DDZPVOUBTGQQQD-PWSUYJOCSA-N	0	0	307.306	0.666	10	5		DCBERN
Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CO)cc1[N+](=O)[O-]	ZINC000121145835	415793695	/nfs/dbraw/zinc/79/36/95/415793695.db2.gz	KSHNSIFCXVNFIG-LLVKDONJSA-N	0	0	307.306	0.825	10	5		DCBERN
Cc1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1[N+](=O)[O-]	ZINC000154139634	415988753	/nfs/dbraw/zinc/98/87/53/415988753.db2.gz	BAKLZTHVWHJIAV-ZDUSSCGKSA-N	0	0	323.349	0.326	10	5		DCBERN
CC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C[C@@H](C)O	ZINC000174849208	416088438	/nfs/dbraw/zinc/08/84/38/416088438.db2.gz	GMPOJGCGGKWPQF-OLZOCXBDSA-N	0	0	311.386	0.568	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](OCCO)C1	ZINC000178678058	416169454	/nfs/dbraw/zinc/16/94/54/416169454.db2.gz	OHGXEBCAIZNOID-LBPRGKRZSA-N	0	0	309.322	0.912	10	5		DCBERN
CNC(=O)[C@H]1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000195526450	416326773	/nfs/dbraw/zinc/32/67/73/416326773.db2.gz	FCGNCGPOKYKNSC-LLVKDONJSA-N	0	0	317.305	0.822	10	5		DCBERN
Cc1n[nH]cc1C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC000557174177	416728496	/nfs/dbraw/zinc/72/84/96/416728496.db2.gz	VELSSKVQRXBVEQ-UHFFFAOYSA-N	0	0	319.325	0.624	10	5		DCBERN
C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H](O)Cc1ccccc1	ZINC000438233234	287368643	/nfs/dbraw/zinc/36/86/43/287368643.db2.gz	FUAMFXPZCYWRHE-CMPLNLGQSA-N	0	0	319.321	0.295	10	5		DCBERN
CC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000450573575	417240358	/nfs/dbraw/zinc/24/03/58/417240358.db2.gz	XNNHDDDWYFNFGJ-BXUZGUMPSA-N	0	0	308.338	0.816	10	5		DCBERN
CCOc1ccc(C(=O)N[C@H]2CN(C)NC2=O)cc1[N+](=O)[O-]	ZINC000450607545	417245898	/nfs/dbraw/zinc/24/58/98/417245898.db2.gz	ALRAPKPIAMREID-VIFPVBQESA-N	0	0	308.294	0.069	10	5		DCBERN
CN(Cc1nnnn1C)C(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000532061182	417655861	/nfs/dbraw/zinc/65/58/61/417655861.db2.gz	GCACYSHIIZWKGO-UHFFFAOYSA-N	0	0	305.298	0.460	10	5		DCBERN
COC(=O)CN(CCN1CCOCC1)c1ccc([N+](=O)[O-])nc1	ZINC000450428197	287449731	/nfs/dbraw/zinc/44/97/31/287449731.db2.gz	VMTGEVBJCKDGLQ-UHFFFAOYSA-N	0	0	324.337	0.301	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CN4CCN3CC4)nn21	ZINC000301960137	230006072	/nfs/dbraw/zinc/00/60/72/230006072.db2.gz	MDBHCZQYUJQDAZ-SNVBAGLBSA-N	0	0	303.326	0.049	10	5		DCBERN
CC(C)[C@@]1(CO)CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC000360131086	261795507	/nfs/dbraw/zinc/79/55/07/261795507.db2.gz	ZZCZRHIDNGWLAP-ZDUSSCGKSA-N	0	0	311.342	0.443	10	5		DCBERN
O=C(COc1ccccc1[N+](=O)[O-])N1CCN2CCOC[C@H]2C1	ZINC000363836523	262134009	/nfs/dbraw/zinc/13/40/09/262134009.db2.gz	UXAZLDLPGSYVBW-GFCCVEGCSA-N	0	0	321.333	0.517	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@]3(CCO[C@H]3C)C2)n1	ZINC000548092826	288110972	/nfs/dbraw/zinc/11/09/72/288110972.db2.gz	OZKGBVIBBVROPB-HZMBPMFUSA-N	0	0	324.337	0.831	10	5		DCBERN
Cn1cc(OCC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cn1	ZINC000548783460	288176513	/nfs/dbraw/zinc/17/65/13/288176513.db2.gz	VWMKECNFTNQROM-UHFFFAOYSA-N	0	0	320.305	0.902	10	5		DCBERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2c([N+](=O)[O-])ncn2C)C1	ZINC000284542477	294590377	/nfs/dbraw/zinc/59/03/77/294590377.db2.gz	NBYWZLDSHIUEJV-QWRGUYRKSA-N	0	0	323.353	0.544	10	5		DCBERN
CC(=O)NC1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1	ZINC000190479658	519647685	/nfs/dbraw/zinc/64/76/85/519647685.db2.gz	YFFDAWHRANHDEV-UHFFFAOYSA-N	0	0	316.317	0.966	10	5		DCBERN
CC(=O)NC1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1	ZINC000191478444	519647759	/nfs/dbraw/zinc/64/77/59/519647759.db2.gz	MMQFXQJYYPOICM-UHFFFAOYSA-N	0	0	306.322	0.744	10	5		DCBERN
CC(=O)NC1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000191729726	519649414	/nfs/dbraw/zinc/64/94/14/519649414.db2.gz	GUBQJJRKISDNGE-LBPRGKRZSA-N	0	0	309.322	0.155	10	5		DCBERN
CN(CC1(CO)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000188971422	522597640	/nfs/dbraw/zinc/59/76/40/522597640.db2.gz	NQGIPMMKHAXPKX-UHFFFAOYSA-N	0	0	300.336	0.988	10	5		DCBERN
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[C@H]2C1	ZINC000285275516	536468720	/nfs/dbraw/zinc/46/87/20/536468720.db2.gz	AWZLOEYESJWELE-JSGCOSHPSA-N	0	0	321.333	0.846	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H](C)O	ZINC000344893720	663080037	/nfs/dbraw/zinc/08/00/37/663080037.db2.gz	LCPCVAIAXUDZBB-JGVFFNPUSA-N	0	0	304.324	0.651	10	5		DCBERN
CCOc1ccc(C(=O)OCc2nnnn2C)cc1[N+](=O)[O-]	ZINC000733418175	666578292	/nfs/dbraw/zinc/57/82/92/666578292.db2.gz	LEGSTVBCQPLSRX-UHFFFAOYSA-N	0	0	307.266	0.874	10	5		DCBERN
CCNC(=O)C1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1	ZINC000176427366	685145225	/nfs/dbraw/zinc/14/52/25/685145225.db2.gz	MYQNMQYOCZQPMF-UHFFFAOYSA-N	0	0	306.322	0.694	10	5		DCBERN
O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@H](O)[C@H](CO)C1	ZINC000317495330	775086704	/nfs/dbraw/zinc/08/67/04/775086704.db2.gz	SELQAILUROUSDI-KWQFWETISA-N	0	0	300.698	0.673	10	5		DCBERN
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](O)[C@@H](CO)C1	ZINC000317660264	775112759	/nfs/dbraw/zinc/11/27/59/775112759.db2.gz	MWASYBBHQQHDEI-HQJQHLMTSA-N	0	0	300.698	0.673	10	5		DCBERN
CN(C)S(=O)(=O)[C@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1	ZINC000286656235	219107594	/nfs/dbraw/zinc/10/75/94/219107594.db2.gz	VAFOBOCBXBENCN-VIFPVBQESA-N	0	0	317.371	0.189	10	5		DCBERN
O=C(N[C@@H]1CCC(=O)NC1=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000089753865	295714901	/nfs/dbraw/zinc/71/49/01/295714901.db2.gz	FQZHFGTUWWZAKU-MRVPVSSYSA-N	0	0	311.681	0.783	10	5		DCBERN
CC(=O)NCCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005495332	181249963	/nfs/dbraw/zinc/24/99/63/181249963.db2.gz	JADPBJCIXVLVNP-UHFFFAOYSA-N	0	0	321.742	0.663	10	5		DCBERN
O=C([O-])[C@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC[NH2+]1	ZINC000095078159	295988834	/nfs/dbraw/zinc/98/88/34/295988834.db2.gz	YBGDRQDFKINYEU-LLVKDONJSA-N	0	0	303.278	0.401	10	5		DCBERN
COc1cc(C(=O)N2CCN(CCO)[C@H](C)C2)ccc1[N+](=O)[O-]	ZINC000187289149	200089358	/nfs/dbraw/zinc/08/93/58/200089358.db2.gz	ASNHZUJVCNOCCQ-LLVKDONJSA-N	0	0	323.349	0.742	10	5		DCBERN
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC1(CCO)CC1	ZINC000188023346	237363163	/nfs/dbraw/zinc/36/31/63/237363163.db2.gz	XSAKMIMHXSAQHS-UHFFFAOYSA-N	0	0	321.333	0.603	10	5		DCBERN
CC(=O)N1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1	ZINC000569582832	291486166	/nfs/dbraw/zinc/48/61/66/291486166.db2.gz	BWVJCYVDYBMKFA-SECBINFHSA-N	0	0	307.310	0.170	10	5		DCBERN
Cc1ccc(S(=O)(=O)N2CCNC(=O)CC2)cc1[N+](=O)[O-]	ZINC000014098019	181925456	/nfs/dbraw/zinc/92/54/56/181925456.db2.gz	HDDCKCIZGMMGNW-UHFFFAOYSA-N	0	0	313.335	0.414	10	5		DCBERN
COC(=O)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000042305949	183252248	/nfs/dbraw/zinc/25/22/48/183252248.db2.gz	YXQNNVZPRZZGTD-ZETCQYMHSA-N	0	0	318.307	0.443	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(c2ccccc2)=N1	ZINC000119623111	195004374	/nfs/dbraw/zinc/00/43/74/195004374.db2.gz	RSTVLVNEEJGUSL-UHFFFAOYSA-N	0	0	300.278	0.823	10	5		DCBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)[C@H]1CCS(=O)(=O)C1	ZINC000334162325	257262348	/nfs/dbraw/zinc/26/23/48/257262348.db2.gz	MIPZZAYEMWBOFY-QMMMGPOBSA-N	0	0	305.333	0.556	10	5		DCBERN
C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000006824670	395683074	/nfs/dbraw/zinc/68/30/74/395683074.db2.gz	QURSGHQPKUXLAD-JLAVYSNZSA-N	0	0	319.697	0.455	10	5		DCBERN
COc1ccc(S(=O)(=O)NCC[C@@H](C)O)cc1[N+](=O)[O-]	ZINC000086014312	395702775	/nfs/dbraw/zinc/70/27/75/395702775.db2.gz	SGPKQXPAEOVLOD-MRVPVSSYSA-N	0	0	304.324	0.653	10	5		DCBERN
CC(C)(C(=O)N1CCN(C2CC2)CC1)n1cc([N+](=O)[O-])cn1	ZINC000102341138	395769835	/nfs/dbraw/zinc/76/98/35/395769835.db2.gz	LXKFTVBOXMERHG-UHFFFAOYSA-N	0	0	307.354	0.833	10	5		DCBERN
CC1(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)COC1	ZINC000112728413	395823422	/nfs/dbraw/zinc/82/34/22/395823422.db2.gz	OHSGJVHQGLOGTE-UHFFFAOYSA-N	0	0	307.306	0.477	10	5		DCBERN
C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC(C)(C)O1	ZINC000195358131	395825540	/nfs/dbraw/zinc/82/55/40/395825540.db2.gz	JJIQRLVDODFYPP-JTQLQIEISA-N	0	0	309.322	0.782	10	5		DCBERN
Cc1ccnc(N2CC[C@H](NS(C)(=O)=O)C2)c1[N+](=O)[O-]	ZINC000116873104	395847979	/nfs/dbraw/zinc/84/79/79/395847979.db2.gz	FPMROARYTAFEMN-VIFPVBQESA-N	0	0	300.340	0.426	10	5		DCBERN
C[C@@H](CO)[C@H](C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000151175317	395980907	/nfs/dbraw/zinc/98/09/07/395980907.db2.gz	FWSBPTXIGRCVJZ-UWVGGRQHSA-N	0	0	309.322	0.458	10	5		DCBERN
CN1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC000171289107	396113680	/nfs/dbraw/zinc/11/36/80/396113680.db2.gz	JGKBTELJQDCKEZ-LBPRGKRZSA-N	0	0	324.293	0.563	10	5		DCBERN
O=C1[C@H](N2C[C@H](O)C[C@@H]2CO)CCN1c1cccc([N+](=O)[O-])c1	ZINC000184730859	396304037	/nfs/dbraw/zinc/30/40/37/396304037.db2.gz	FOJXZIVPHOUHME-MGPQQGTHSA-N	0	0	321.333	0.128	10	5		DCBERN
COCC(=O)NC1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1	ZINC000186317329	396347535	/nfs/dbraw/zinc/34/75/35/396347535.db2.gz	BNYDKDBGFDVDBT-UHFFFAOYSA-N	0	0	313.335	0.552	10	5		DCBERN
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)[C@H]2C1	ZINC000285987687	396367802	/nfs/dbraw/zinc/36/78/02/396367802.db2.gz	YDCOTTOPJQXPHQ-KBPBESRZSA-N	0	0	321.333	0.846	10	5		DCBERN
COc1cc(C(=O)N2CCCNC(=O)[C@H]2C)ccc1[N+](=O)[O-]	ZINC000188102083	396378918	/nfs/dbraw/zinc/37/89/18/396378918.db2.gz	HVOBVTKTBPJKQS-SECBINFHSA-N	0	0	307.306	0.954	10	5		DCBERN
COc1ccc(C(=O)N2CC(n3ccnn3)C2)cc1[N+](=O)[O-]	ZINC000374797643	396688526	/nfs/dbraw/zinc/68/85/26/396688526.db2.gz	HYCKNOGXLSBATH-UHFFFAOYSA-N	0	0	303.278	0.892	10	5		DCBERN
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]1CS(N)(=O)=O	ZINC000611398749	396861169	/nfs/dbraw/zinc/86/11/69/396861169.db2.gz	UKJCOIWOISTPCO-VIFPVBQESA-N	0	0	300.340	0.556	10	5		DCBERN
Cc1cnc(N2CCC[C@H]2CS(N)(=O)=O)c([N+](=O)[O-])c1	ZINC000611539556	396883417	/nfs/dbraw/zinc/88/34/17/396883417.db2.gz	AKHKREBTTWJVMB-VIFPVBQESA-N	0	0	300.340	0.556	10	5		DCBERN
COC(=O)[C@H]1CCCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000611577431	396889041	/nfs/dbraw/zinc/88/90/41/396889041.db2.gz	BWUBHHDTUTXJRN-SECBINFHSA-N	0	0	311.298	0.131	10	5		DCBERN
NC(=O)N[C@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1	ZINC000611712892	396915529	/nfs/dbraw/zinc/91/55/29/396915529.db2.gz	RZCJPUOSVNEVEP-QMMMGPOBSA-N	0	0	302.294	0.785	10	5		DCBERN
CCN1CC[C@@H](Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])C1=O	ZINC000619794669	397193818	/nfs/dbraw/zinc/19/38/18/397193818.db2.gz	RNFUIFZXXBJHKK-LLVKDONJSA-N	0	0	306.322	0.987	10	5		DCBERN
CCN1CC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1=O	ZINC000619801742	397195139	/nfs/dbraw/zinc/19/51/39/397195139.db2.gz	MPUOOEPHQGLWAZ-SNVBAGLBSA-N	0	0	309.326	0.263	10	5		DCBERN
CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)c1cnc2n1CCC2	ZINC000619856753	397198884	/nfs/dbraw/zinc/19/88/84/397198884.db2.gz	PWNPQTBWWKYUFB-UHFFFAOYSA-N	0	0	323.334	0.958	10	5		DCBERN
COC[C@](C)(CO)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-]	ZINC000613534561	397274495	/nfs/dbraw/zinc/27/44/95/397274495.db2.gz	NACFNYOELYPMNL-LBPRGKRZSA-N	0	0	300.315	0.569	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCOC[C@@H]1c1ccco1	ZINC000609729437	397790638	/nfs/dbraw/zinc/79/06/38/397790638.db2.gz	ZUHHFEXKNDTRRK-SECBINFHSA-N	0	0	307.266	0.379	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCOC[C@H]1c1ccco1	ZINC000609729438	397791455	/nfs/dbraw/zinc/79/14/55/397791455.db2.gz	ZUHHFEXKNDTRRK-VIFPVBQESA-N	0	0	307.266	0.379	10	5		DCBERN
C[C@](O)(CO)CNc1ncc(Br)cc1[N+](=O)[O-]	ZINC000090283776	158104116	/nfs/dbraw/zinc/10/41/16/158104116.db2.gz	FCIPMMRETMAGQO-SECBINFHSA-N	0	0	306.116	0.908	10	5		DCBERN
CC(C)(CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)C(N)=O	ZINC000123851907	158234206	/nfs/dbraw/zinc/23/42/06/158234206.db2.gz	JYCFIOZUWSWQHC-UHFFFAOYSA-N	0	0	315.351	0.922	10	5		DCBERN
C[C@H]1C(=O)NCCCN1C(=O)CNc1ccccc1[N+](=O)[O-]	ZINC000188069035	158542599	/nfs/dbraw/zinc/54/25/99/158542599.db2.gz	IVQSUZSFMXUTQW-JTQLQIEISA-N	0	0	306.322	0.744	10	5		DCBERN
CCn1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])n1	ZINC000408086964	160032566	/nfs/dbraw/zinc/03/25/66/160032566.db2.gz	BCNKNSUWVSYWFQ-BDAKNGLRSA-N	0	0	318.355	0.203	10	5		DCBERN
O=C([C@H]1CNC(=O)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000194769397	287062456	/nfs/dbraw/zinc/06/24/56/287062456.db2.gz	QAJPTUBHHKVMHP-LLVKDONJSA-N	0	0	318.333	0.380	10	5		DCBERN
CN1CCO[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1	ZINC000104792685	415628226	/nfs/dbraw/zinc/62/82/26/415628226.db2.gz	NOGQUZXTIZMCFY-CYBMUJFWSA-N	0	0	308.338	0.725	10	5		DCBERN
CC(C)[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(N)=O	ZINC000107184215	415660531	/nfs/dbraw/zinc/66/05/31/415660531.db2.gz	XXNCVUWUYORWDY-LBPRGKRZSA-N	0	0	313.285	0.739	10	5		DCBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)NCCCOCCO)c1	ZINC000357286281	416056762	/nfs/dbraw/zinc/05/67/62/416056762.db2.gz	HFKVFESTKGOIOX-UHFFFAOYSA-N	0	0	318.351	0.413	10	5		DCBERN
O=C1CCCN1[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1	ZINC000357754338	416127687	/nfs/dbraw/zinc/12/76/87/416127687.db2.gz	ZYMQEIKAGICAPN-JTQLQIEISA-N	0	0	316.321	0.839	10	5		DCBERN
Nc1c(C(=O)N2CC[C@H](N3CCOCC3)C2)cccc1[N+](=O)[O-]	ZINC000176919772	416138175	/nfs/dbraw/zinc/13/81/75/416138175.db2.gz	ATZOLDKSMNZVTC-NSHDSACASA-N	0	0	320.349	0.724	10	5		DCBERN
O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1Cc2ccccc2[C@H]1O	ZINC000178303087	416161475	/nfs/dbraw/zinc/16/14/75/416161475.db2.gz	UTEBHHYJDMORNS-DZGCQCFKSA-N	0	0	316.317	0.956	10	5		DCBERN
CCCCn1cc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c(C)n1	ZINC000358706176	416271268	/nfs/dbraw/zinc/27/12/68/416271268.db2.gz	IDJAHRZRLREWSE-UHFFFAOYSA-N	0	0	321.341	0.808	10	5		DCBERN
CCNC(=O)C(C)(C)CNC(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191681020	416287910	/nfs/dbraw/zinc/28/79/10/416287910.db2.gz	MHOXLGXMVPLGEX-UHFFFAOYSA-N	0	0	311.342	0.703	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](CO)SC)n1	ZINC000191854141	416291372	/nfs/dbraw/zinc/29/13/72/416291372.db2.gz	RUPCMOABMLTKHS-APPZFPTMSA-N	0	0	302.356	0.653	10	5		DCBERN
CC(C)[C@]1(CO)CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC000360131085	416372862	/nfs/dbraw/zinc/37/28/62/416372862.db2.gz	ZZCZRHIDNGWLAP-CYBMUJFWSA-N	0	0	311.342	0.443	10	5		DCBERN
C[C@@H](CC(=O)c1ccco1)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000434304401	416469433	/nfs/dbraw/zinc/46/94/33/416469433.db2.gz	FUXKHKKNUNOBMN-QMMMGPOBSA-N	0	0	307.266	0.557	10	5		DCBERN
COC[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(F)cc1	ZINC000437381427	416583373	/nfs/dbraw/zinc/58/33/73/416583373.db2.gz	BOGJHWBFIFEJAH-NSHDSACASA-N	0	0	323.284	0.829	10	5		DCBERN
COC(=O)[C@H](C)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443786476	416783461	/nfs/dbraw/zinc/78/34/61/416783461.db2.gz	ZBMOPGKZUIJOIJ-SECBINFHSA-N	0	0	316.335	0.823	10	5		DCBERN
CS(=O)(=O)c1ccc(N2C[C@H](F)C[C@@H]2CO)c([N+](=O)[O-])c1	ZINC000443999399	416795846	/nfs/dbraw/zinc/79/58/46/416795846.db2.gz	SVGXNWSTKWDHMM-RKDXNWHRSA-N	0	0	318.326	0.907	10	5		DCBERN
CC(=O)N1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1	ZINC000568794449	417181903	/nfs/dbraw/zinc/18/19/03/417181903.db2.gz	PBDBCLNWCILGIP-SNVBAGLBSA-N	0	0	306.322	0.775	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C2CC2)CC1	ZINC000299568038	229218924	/nfs/dbraw/zinc/21/89/24/229218924.db2.gz	ZFVCWAJQNQFMSF-UHFFFAOYSA-N	0	0	307.354	0.796	10	5		DCBERN
O=[N+]([O-])c1cccc(F)c1OC[C@@H](O)CN1CCOCC1	ZINC000184776770	261119590	/nfs/dbraw/zinc/11/95/90/261119590.db2.gz	VIYXTVLNYLGNCE-JTQLQIEISA-N	0	0	300.286	0.806	10	5		DCBERN
Cc1cc(C2CC2)nc(NC(=O)Cn2cnc([N+](=O)[O-])n2)n1	ZINC000362261712	262015857	/nfs/dbraw/zinc/01/58/57/262015857.db2.gz	HWSFYELMDIVWHI-UHFFFAOYSA-N	0	0	303.282	0.801	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1nc2cc(Cl)ccn2n1	ZINC000362298490	262019714	/nfs/dbraw/zinc/01/97/14/262019714.db2.gz	BKZSTKNZSVXXDD-UHFFFAOYSA-N	0	0	322.672	0.521	10	5		DCBERN
CCOc1ccc(C(=O)NCc2nnn(C)n2)cc1[N+](=O)[O-]	ZINC000362950764	271182855	/nfs/dbraw/zinc/18/28/55/271182855.db2.gz	HNJUAVWXHQQPCN-UHFFFAOYSA-N	0	0	306.282	0.447	10	5		DCBERN
Nc1c(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)cccc1[N+](=O)[O-]	ZINC000548389934	288138926	/nfs/dbraw/zinc/13/89/26/288138926.db2.gz	LTVGQCIXOPXDKW-GFCCVEGCSA-N	0	0	319.317	0.997	10	5		DCBERN
CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000106894346	280232173	/nfs/dbraw/zinc/23/21/73/280232173.db2.gz	YAVHSOQCAOFCJT-SSDOTTSWSA-N	0	0	319.364	0.555	10	5		DCBERN
C[C@@H]1CN(c2cc(CO)ccc2[N+](=O)[O-])CCS1(=O)=O	ZINC000160735394	288257393	/nfs/dbraw/zinc/25/73/93/288257393.db2.gz	RMTQVQDVAQABAM-SECBINFHSA-N	0	0	300.336	0.710	10	5		DCBERN
O=C(NCCOCC1CCC1)NCCn1cc([N+](=O)[O-])cn1	ZINC000558646209	288452743	/nfs/dbraw/zinc/45/27/43/288452743.db2.gz	XVURMJVXPMSNOZ-UHFFFAOYSA-N	0	0	311.342	0.907	10	5		DCBERN
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)[C@@H]2C1	ZINC000285716785	290168018	/nfs/dbraw/zinc/16/80/18/290168018.db2.gz	JOBWVLSVIFBZKT-OCCSQVGLSA-N	0	0	321.333	0.846	10	5		DCBERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000176282826	293522306	/nfs/dbraw/zinc/52/23/06/293522306.db2.gz	OLGFKKBTODJBFG-SNVBAGLBSA-N	0	0	318.293	0.860	10	5		DCBERN
COC(=O)/C=C(/C)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000584611385	337372235	/nfs/dbraw/zinc/37/22/35/337372235.db2.gz	AEWGTSCUKIDZGT-FPLPWBNLSA-N	0	0	300.292	0.950	10	5		DCBERN
COc1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1[N+](=O)[O-]	ZINC000189456755	523620725	/nfs/dbraw/zinc/62/07/25/523620725.db2.gz	FLULBMOZVGWKQF-UHFFFAOYSA-N	0	0	319.317	0.954	10	5		DCBERN
COCCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1C	ZINC000191691934	523850924	/nfs/dbraw/zinc/85/09/24/523850924.db2.gz	JWKXDTFUKAYVFJ-LLVKDONJSA-N	0	0	322.365	0.970	10	5		DCBERN
NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)CC2CCCC2)c1=O	ZINC000191286806	527034735	/nfs/dbraw/zinc/03/47/35/527034735.db2.gz	OCIJANHARAYNHS-NSHDSACASA-N	0	0	309.322	0.797	10	5		DCBERN
O=C(CCOCC(F)(F)F)OCCn1cnc([N+](=O)[O-])n1	ZINC000176689158	658933856	/nfs/dbraw/zinc/93/38/56/658933856.db2.gz	NDHKHWPGGVPRPC-UHFFFAOYSA-N	0	0	312.204	0.699	10	5		DCBERN
Cc1nn(CN2CCN(c3cccnn3)CC2)c(C)c1[N+](=O)[O-]	ZINC000170638892	664583780	/nfs/dbraw/zinc/58/37/80/664583780.db2.gz	XZOMAGOYQDBVLI-UHFFFAOYSA-N	0	0	317.353	0.978	10	5		DCBERN
C[C@@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H](C(N)=O)O1	ZINC000120171898	667274296	/nfs/dbraw/zinc/27/42/96/667274296.db2.gz	VVTGOFZDBUSKLL-RNCFNFMXSA-N	0	0	319.321	0.477	10	5		DCBERN
O=C(OCCn1cnc([N+](=O)[O-])n1)c1cnn2c1CCCC2	ZINC000125814792	668429624	/nfs/dbraw/zinc/42/96/24/668429624.db2.gz	HYGAGUBELBFSRJ-UHFFFAOYSA-N	0	0	306.282	0.576	10	5		DCBERN
C[S@@](=O)CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC000159112852	1180564874	/nfs/dbraw/zinc/56/48/74/1180564874.db2.gz	BALHUBIDFGSFOF-IBGZPJMESA-N	0	0	305.743	0.939	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	ZINC000052930364	771579950	/nfs/dbraw/zinc/57/99/50/771579950.db2.gz	CXOQEIHLWVOYGP-SECBINFHSA-N	0	0	313.335	0.557	10	5		DCBERN
CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CS(=O)(=O)C[C@H]1C	ZINC000341065629	945277925	/nfs/dbraw/zinc/27/79/25/945277925.db2.gz	FWGNIDNJMMATJT-APPZFPTMSA-N	0	0	302.356	0.965	10	5		DCBERN
O=C(N[C@@H]1CCS(=O)(=O)C1)c1c(F)cccc1[N+](=O)[O-]	ZINC000714040672	941410373	/nfs/dbraw/zinc/41/03/73/941410373.db2.gz	HMHVKORHPCGHIM-SSDOTTSWSA-N	0	0	302.283	0.651	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[C@H](O)C1	ZINC000720928835	944612525	/nfs/dbraw/zinc/61/25/25/944612525.db2.gz	QPTVWUUVWXKTRW-HOMQSWHASA-N	0	0	300.336	0.952	10	5		DCBERN
Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CCS(N)(=O)=O	ZINC000719420279	952469324	/nfs/dbraw/zinc/46/93/24/952469324.db2.gz	AOZPLBSHWPQBMS-UHFFFAOYSA-N	0	0	301.324	0.264	10	5		DCBERN
CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC000174890889	198397927	/nfs/dbraw/zinc/39/79/27/198397927.db2.gz	YGSJDMMADUBWPB-SNVBAGLBSA-N	0	0	324.337	0.982	10	5		DCBERN
C[C@@H](C(=O)N1CC[C@H](NC(N)=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000567175704	291341175	/nfs/dbraw/zinc/34/11/75/291341175.db2.gz	LTFCDPRIMBMDIV-KOLCDFICSA-N	0	0	306.322	0.968	10	5		DCBERN
CCN1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C(C)(C)C1=O	ZINC000275169759	212168113	/nfs/dbraw/zinc/16/81/13/212168113.db2.gz	KVGQPFAXBMQOSV-UHFFFAOYSA-N	0	0	309.326	0.411	10	5		DCBERN
COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000190684697	284214700	/nfs/dbraw/zinc/21/47/00/284214700.db2.gz	ZRZQAXJQZVFZFZ-FYBVGQRMSA-N	0	0	308.294	0.732	10	5		DCBERN
CCN(CC(C)(C)O)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000265003617	204337906	/nfs/dbraw/zinc/33/79/06/204337906.db2.gz	FSGYARVQQUAQAE-UHFFFAOYSA-N	0	0	317.367	0.839	10	5		DCBERN
Cc1sc(C(=O)N2CCS(=O)(=O)CC2)cc1[N+](=O)[O-]	ZINC000057793669	184052465	/nfs/dbraw/zinc/05/24/65/184052465.db2.gz	SAXMUDUXWGIPKD-UHFFFAOYSA-N	0	0	304.349	0.835	10	5		DCBERN
O=C(CCn1cc([N+](=O)[O-])cn1)NCCCN1CCCC1=O	ZINC000065633852	184375878	/nfs/dbraw/zinc/37/58/78/184375878.db2.gz	REUHAKTWSSHIIE-UHFFFAOYSA-N	0	0	309.326	0.310	10	5		DCBERN
CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H](O)CN1CCOCC1	ZINC000340161093	253210263	/nfs/dbraw/zinc/21/02/63/253210263.db2.gz	AFSVJAALZIPROY-ZDUSSCGKSA-N	0	0	324.333	0.869	10	5		DCBERN
Cc1cccc(C(=O)NC[C@@H](C)S(N)(=O)=O)c1[N+](=O)[O-]	ZINC000350621046	254319725	/nfs/dbraw/zinc/31/97/25/254319725.db2.gz	PRIDDNYZEXFYNF-MRVPVSSYSA-N	0	0	301.324	0.310	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)S(N)(=O)=O	ZINC000350629237	254321262	/nfs/dbraw/zinc/32/12/62/254321262.db2.gz	MGQIXNMTIFMNMU-MRVPVSSYSA-N	0	0	301.324	0.310	10	5		DCBERN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1CC(O)C1	ZINC000091524687	395726133	/nfs/dbraw/zinc/72/61/33/395726133.db2.gz	DAFTZOFOXRNVMO-UHFFFAOYSA-N	0	0	300.336	0.952	10	5		DCBERN
Cc1noc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1	ZINC000101575507	395765519	/nfs/dbraw/zinc/76/55/19/395765519.db2.gz	IWRJMVXZXPRSTM-UHFFFAOYSA-N	0	0	318.336	0.869	10	5		DCBERN
COc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-]	ZINC000194725774	395806027	/nfs/dbraw/zinc/80/60/27/395806027.db2.gz	XYOKUUANYLQWNR-LLVKDONJSA-N	0	0	309.322	0.664	10	5		DCBERN
COCCN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C	ZINC000117293420	395852319	/nfs/dbraw/zinc/85/23/19/395852319.db2.gz	XECBFOYTNDCBDW-NSHDSACASA-N	0	0	322.365	0.970	10	5		DCBERN
Cn1cc([C@@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)cn1	ZINC000171350310	396114676	/nfs/dbraw/zinc/11/46/76/396114676.db2.gz	LWWJGRDSUUQDOH-LBPRGKRZSA-N	0	0	304.310	0.889	10	5		DCBERN
CN(CC(=O)NCCCn1ccnn1)c1ccccc1[N+](=O)[O-]	ZINC000183003636	396258195	/nfs/dbraw/zinc/25/81/95/396258195.db2.gz	VWXQYYXTWSTHQX-UHFFFAOYSA-N	0	0	318.337	0.829	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCO[C@@]2(CCOC2)C1	ZINC000186093462	396341158	/nfs/dbraw/zinc/34/11/58/396341158.db2.gz	XJOIYHFQLSOVDL-AWEZNQCLSA-N	0	0	324.337	0.508	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(NC(=O)C2CC2)C1	ZINC000189470370	396396031	/nfs/dbraw/zinc/39/60/31/396396031.db2.gz	AYAKHAHTKKHKHN-UHFFFAOYSA-N	0	0	304.306	0.649	10	5		DCBERN
CN1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1=O	ZINC000191107613	396415805	/nfs/dbraw/zinc/41/58/05/396415805.db2.gz	DVQMHBNPLGBVJG-UHFFFAOYSA-N	0	0	306.322	0.358	10	5		DCBERN
Nc1c(C(=O)N2CCN3CCOC[C@H]3C2)cccc1[N+](=O)[O-]	ZINC000371869241	396479028	/nfs/dbraw/zinc/47/90/28/396479028.db2.gz	FLYYUUSSBHKXLW-SNVBAGLBSA-N	0	0	306.322	0.334	10	5		DCBERN
Cn1c(C(=O)N2CCC[C@H]2Cn2ccnn2)ccc1[N+](=O)[O-]	ZINC000585793862	396656660	/nfs/dbraw/zinc/65/66/60/396656660.db2.gz	OHZLLZUEJGAQFB-JTQLQIEISA-N	0	0	304.310	0.830	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-]	ZINC000596435375	396777422	/nfs/dbraw/zinc/77/74/22/396777422.db2.gz	MSHAUSXXEUHLQN-VXNVDRBHSA-N	0	0	321.742	0.867	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1F	ZINC000596436861	396778004	/nfs/dbraw/zinc/77/80/04/396778004.db2.gz	UEVDUMUJDYXBIL-WDEREUQCSA-N	0	0	304.299	0.958	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ccc([N+](=O)[O-])c(C)n1	ZINC000596437586	396777396	/nfs/dbraw/zinc/77/73/96/396777396.db2.gz	WXWHDDUICXSGLX-SCZZXKLOSA-N	0	0	301.324	0.522	10	5		DCBERN
O=C(NCc1cccc([N+](=O)[O-])c1)N1CCN2CCOC[C@@H]2C1	ZINC000564615202	396847006	/nfs/dbraw/zinc/84/70/06/396847006.db2.gz	UATOXRSTSMBXCC-AWEZNQCLSA-N	0	0	320.349	0.821	10	5		DCBERN
Cc1nc(N2CCC[C@@H]2CS(N)(=O)=O)ccc1[N+](=O)[O-]	ZINC000611398752	396861625	/nfs/dbraw/zinc/86/16/25/396861625.db2.gz	VBWCDIUCSSPTET-SECBINFHSA-N	0	0	300.340	0.556	10	5		DCBERN
NS(=O)(=O)C[C@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-]	ZINC000611539619	396882889	/nfs/dbraw/zinc/88/28/89/396882889.db2.gz	VPKLFWHRCBTSQC-MRVPVSSYSA-N	0	0	320.758	0.901	10	5		DCBERN
CCNC(=O)CN1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1	ZINC000611615733	396895838	/nfs/dbraw/zinc/89/58/38/396895838.db2.gz	SXTZNZZFMSUDQN-UHFFFAOYSA-N	0	0	321.381	0.865	10	5		DCBERN
CCN1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1=O	ZINC000619843444	397199510	/nfs/dbraw/zinc/19/95/10/397199510.db2.gz	DEVJBDPNRQONEK-LLVKDONJSA-N	0	0	320.305	0.270	10	5		DCBERN
CCOc1ccc([N+](=O)[O-])cc1[C@H]1NC(=O)[C@@H]2COCCN21	ZINC000093884689	286570488	/nfs/dbraw/zinc/57/04/88/286570488.db2.gz	TUPHLPGOFLHHLX-AAEUAGOBSA-N	0	0	307.306	0.823	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCn2ccnc2)s1	ZINC000098117514	158126522	/nfs/dbraw/zinc/12/65/22/158126522.db2.gz	FVJLYKOFSMSWNY-UHFFFAOYSA-N	0	0	302.337	0.831	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C(=O)N(C)C	ZINC000122754102	158224522	/nfs/dbraw/zinc/22/45/22/158224522.db2.gz	HMNQAWLKTLLLER-GFCCVEGCSA-N	0	0	306.322	0.991	10	5		DCBERN
CCn1cc(S(=O)(=O)N2CCCSCC2)c([N+](=O)[O-])n1	ZINC000407991841	160004975	/nfs/dbraw/zinc/00/49/75/160004975.db2.gz	ZCUKUQJXRQHUAV-UHFFFAOYSA-N	0	0	320.396	0.939	10	5		DCBERN
Cc1nn(C[C@H]2CCN(S(C)(=O)=O)C2)c(C)c1[N+](=O)[O-]	ZINC000408145617	160047580	/nfs/dbraw/zinc/04/75/80/160047580.db2.gz	JICFYASNWJWETN-JTQLQIEISA-N	0	0	302.356	0.690	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000408249190	160069284	/nfs/dbraw/zinc/06/92/84/160069284.db2.gz	ZBDWZEHCBYRWSK-AWEZNQCLSA-N	0	0	321.337	0.228	10	5		DCBERN
CC(=O)N1CC(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1	ZINC000408295669	160079002	/nfs/dbraw/zinc/07/90/02/160079002.db2.gz	VZYMUQDBUKRPIK-UHFFFAOYSA-N	0	0	304.306	0.353	10	5		DCBERN
C[C@@H]1CC[C@@H](C(N)=O)CN1c1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000193713929	287061462	/nfs/dbraw/zinc/06/14/62/287061462.db2.gz	BLZOMZNXVKGPCN-PSASIEDQSA-N	0	0	306.322	0.784	10	5		DCBERN
COCc1nc2n(n1)CCC[C@@H]2Nc1ncc([N+](=O)[O-])c(N)n1	ZINC000268387341	415204058	/nfs/dbraw/zinc/20/40/58/415204058.db2.gz	LEPHVVPBVFFRNT-ZETCQYMHSA-N	0	0	320.313	0.652	10	5		DCBERN
O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000152751795	415969404	/nfs/dbraw/zinc/96/94/04/415969404.db2.gz	ZGLFPZKLQDVPCV-MRVPVSSYSA-N	0	0	311.681	0.783	10	5		DCBERN
Cc1c(F)cc(S(=O)(=O)N2CCNC(=O)C2)cc1[N+](=O)[O-]	ZINC000132656170	415936170	/nfs/dbraw/zinc/93/61/70/415936170.db2.gz	VDXMIXKVIVDVQM-UHFFFAOYSA-N	0	0	317.298	0.163	10	5		DCBERN
COc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)CO)c([N+](=O)[O-])c1	ZINC000158819357	416003234	/nfs/dbraw/zinc/00/32/34/416003234.db2.gz	DDUIFUVOVXCDMY-BDAKNGLRSA-N	0	0	318.351	0.899	10	5		DCBERN
Cc1noc([C@H]2COCCN2CCn2cc([N+](=O)[O-])cn2)n1	ZINC000161203468	416011343	/nfs/dbraw/zinc/01/13/43/416011343.db2.gz	MFQBOIJKTLUBIJ-LLVKDONJSA-N	0	0	308.298	0.556	10	5		DCBERN
CNC(=O)[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)C	ZINC000178586194	416165794	/nfs/dbraw/zinc/16/57/94/416165794.db2.gz	YMDZDDFOONTDAN-LLVKDONJSA-N	0	0	319.321	0.972	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)n1	ZINC000191666119	416288126	/nfs/dbraw/zinc/28/81/26/416288126.db2.gz	LNZRDIBHXXJRLN-NWDGAFQWSA-N	0	0	324.337	0.831	10	5		DCBERN
Cc1nc(CN(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)no1	ZINC000442422323	416694806	/nfs/dbraw/zinc/69/48/06/416694806.db2.gz	VTZXIYIPXDGAOW-UHFFFAOYSA-N	0	0	319.277	0.883	10	5		DCBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H](O)C2CC2)c1	ZINC000443779622	416781181	/nfs/dbraw/zinc/78/11/81/416781181.db2.gz	LKHBHHCBIXAWJD-GFCCVEGCSA-N	0	0	300.336	0.785	10	5		DCBERN
CS(=O)(=O)c1ccc(N2C[C@@H](F)C[C@H]2CO)c([N+](=O)[O-])c1	ZINC000443999398	416795725	/nfs/dbraw/zinc/79/57/25/416795725.db2.gz	SVGXNWSTKWDHMM-IUCAKERBSA-N	0	0	318.326	0.907	10	5		DCBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000615818727	416917186	/nfs/dbraw/zinc/91/71/86/416917186.db2.gz	OWZIXSYTNJSALJ-KKZNHRDASA-N	0	0	322.321	0.742	10	5		DCBERN
CN(Cc1nnnn1C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-]	ZINC000532069984	417656018	/nfs/dbraw/zinc/65/60/18/417656018.db2.gz	SFHVNYHCQZXWKP-UHFFFAOYSA-N	0	0	316.281	0.404	10	5		DCBERN
COC1(CO)CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1	ZINC000444879518	287432806	/nfs/dbraw/zinc/43/28/06/287432806.db2.gz	VSNALHZLNGAAEN-UHFFFAOYSA-N	0	0	307.310	0.615	10	5		DCBERN
C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCN1CCO	ZINC000187263346	261122638	/nfs/dbraw/zinc/12/26/38/261122638.db2.gz	ZSRZFLKRWDWRRH-LBPRGKRZSA-N	0	0	322.365	0.532	10	5		DCBERN
CC1(C)CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1[C@@H]1CCCO1	ZINC000362288684	262020274	/nfs/dbraw/zinc/02/02/74/262020274.db2.gz	RYTOZZARDQUDSX-GXSJLCMTSA-N	0	0	309.326	0.602	10	5		DCBERN
O=[N+]([O-])c1cccc([C@@H](O)CN2CCN3CCOC[C@H]3C2)c1	ZINC000363796738	262131022	/nfs/dbraw/zinc/13/10/22/262131022.db2.gz	CWGIARLXFPUSPA-CABCVRRESA-N	0	0	307.350	0.645	10	5		DCBERN
O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN2CCOC[C@@H]2C1	ZINC000363869351	262135334	/nfs/dbraw/zinc/13/53/34/262135334.db2.gz	UHZJNWZAFBHPHX-NSHDSACASA-N	0	0	309.297	0.891	10	5		DCBERN
CNS(=O)(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1	ZINC000577098239	341885647	/nfs/dbraw/zinc/88/56/47/341885647.db2.gz	XRZWVZNEOKOXTQ-SNVBAGLBSA-N	0	0	300.340	0.508	10	5		DCBERN
C[NH+](C)C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCO1	ZINC000160432354	521882912	/nfs/dbraw/zinc/88/29/12/521882912.db2.gz	JEGKONSODJXMJR-NSHDSACASA-N	0	0	309.322	0.703	10	5		DCBERN
CCc1nnc([C@H]2CN(c3c([N+](=O)[O-])c(C)nn3C)CCO2)[nH]1	ZINC000131627335	522141159	/nfs/dbraw/zinc/14/11/59/522141159.db2.gz	CVOXKKIDNXSCGL-SECBINFHSA-N	0	0	321.341	0.895	10	5		DCBERN
C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C(N)=O)O1	ZINC000157569893	524865047	/nfs/dbraw/zinc/86/50/47/524865047.db2.gz	FAWXNKGFHSOAQY-HQJQHLMTSA-N	0	0	311.269	0.449	10	5		DCBERN
O=C(COc1ccc([N+](=O)[O-])cc1)N1CC(NC(=O)C2CC2)C1	ZINC000189472298	526966670	/nfs/dbraw/zinc/96/66/70/526966670.db2.gz	HAARKBRXKYZOOC-UHFFFAOYSA-N	0	0	319.317	0.711	10	5		DCBERN
CCNC(=O)C1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1	ZINC000192683723	528050467	/nfs/dbraw/zinc/05/04/67/528050467.db2.gz	GKIIDMODARPMMK-UHFFFAOYSA-N	0	0	307.306	0.812	10	5		DCBERN
CN(C)c1ccc(COC(=O)Cn2cnc([N+](=O)[O-])n2)cc1	ZINC000729810639	662910499	/nfs/dbraw/zinc/91/04/99/662910499.db2.gz	XQNJYSJZSVFSGQ-UHFFFAOYSA-N	0	0	305.294	0.996	10	5		DCBERN
NC(=O)COCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000230210423	664616327	/nfs/dbraw/zinc/61/63/27/664616327.db2.gz	BDIMJMMQZYAUQP-UHFFFAOYSA-N	0	0	301.686	0.480	10	5		DCBERN
CC[S@](=O)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC000742657431	667796502	/nfs/dbraw/zinc/79/65/02/667796502.db2.gz	CBJUIPITECDWKA-NRFANRHFSA-N	0	0	313.379	0.916	10	5		DCBERN
Cc1cnn(C[C@@H]2CN(Cn3nccc3[N+](=O)[O-])CCO2)c1	ZINC000112071309	670538677	/nfs/dbraw/zinc/53/86/77/670538677.db2.gz	WOMGITMTOGWMEP-LBPRGKRZSA-N	0	0	306.326	0.655	10	5		DCBERN
O=[N+]([O-])c1cnc(N2C[C@H](O)[C@H](CO)C2)c(Br)c1	ZINC000317454766	1158003585	/nfs/dbraw/zinc/00/35/85/1158003585.db2.gz	OBCSCRXOUOCIBS-RCOVLWMOSA-N	0	0	318.127	0.542	10	5		DCBERN
COc1cc(NCCNS(C)(=O)=O)c([N+](=O)[O-])cc1OC	ZINC000213824612	1177528250	/nfs/dbraw/zinc/52/82/50/1177528250.db2.gz	QITPXYSDFOCINW-UHFFFAOYSA-N	0	0	319.339	0.573	10	5		DCBERN
NS(=O)(=O)C1(CNc2nc3sccn3c2[N+](=O)[O-])CC1	ZINC000714037224	941409991	/nfs/dbraw/zinc/40/99/91/941409991.db2.gz	WSZXIBPSIMAJCX-UHFFFAOYSA-N	0	0	317.352	0.537	10	5		DCBERN
CNC(=O)[C@@H]1CCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C	ZINC000171489039	186167885	/nfs/dbraw/zinc/16/78/85/186167885.db2.gz	CXXSQLNEJONMMQ-JTQLQIEISA-N	0	0	309.326	0.227	10	5		DCBERN
CO[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C	ZINC000187664622	200142061	/nfs/dbraw/zinc/14/20/61/200142061.db2.gz	JEWLGCAODYDAAE-CMPLNLGQSA-N	0	0	311.342	0.858	10	5		DCBERN
CNS(=O)(=O)c1ccc(NC2(CO)CC2)c([N+](=O)[O-])c1	ZINC000157509346	291228460	/nfs/dbraw/zinc/22/84/60/291228460.db2.gz	RYDHUFOFQWPNTC-UHFFFAOYSA-N	0	0	301.324	0.440	10	5		DCBERN
CC[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(N)=O	ZINC000292435982	131650457	/nfs/dbraw/zinc/65/04/57/131650457.db2.gz	VGMKFOJTDUIJJD-QMMMGPOBSA-N	0	0	301.324	0.674	10	5		DCBERN
CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000113130788	132175084	/nfs/dbraw/zinc/17/50/84/132175084.db2.gz	LHILMRMINBQZAD-MRVPVSSYSA-N	0	0	315.351	0.851	10	5		DCBERN
CN1CCO[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1	ZINC000194634188	395802592	/nfs/dbraw/zinc/80/25/92/395802592.db2.gz	VDUDNTBWHVARIV-LLVKDONJSA-N	0	0	309.322	0.420	10	5		DCBERN
COCC(=O)NC1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1	ZINC000185288654	396324728	/nfs/dbraw/zinc/32/47/28/396324728.db2.gz	FLFAXGPKQWSJIU-UHFFFAOYSA-N	0	0	307.306	0.490	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](COC)O[C@@H](C)C2)n1	ZINC000191899265	396427222	/nfs/dbraw/zinc/42/72/22/396427222.db2.gz	UAMLVGWFAQRWEN-VHSXEESVSA-N	0	0	312.326	0.687	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1F	ZINC000596436859	396777510	/nfs/dbraw/zinc/77/75/10/396777510.db2.gz	UEVDUMUJDYXBIL-QWRGUYRKSA-N	0	0	304.299	0.958	10	5		DCBERN
C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CCN1S(C)(=O)=O	ZINC000596479358	396783981	/nfs/dbraw/zinc/78/39/81/396783981.db2.gz	RQEHLEITURBJIM-SECBINFHSA-N	0	0	300.340	0.460	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)NCCc1nc2ccccc2o1	ZINC000571623396	396970402	/nfs/dbraw/zinc/97/04/02/396970402.db2.gz	YDOQQKBLTUOZKW-UHFFFAOYSA-N	0	0	316.277	0.686	10	5		DCBERN
COc1cccc(Cc2noc(Cn3cnc([N+](=O)[O-])n3)n2)n1	ZINC000612978390	397169607	/nfs/dbraw/zinc/16/96/07/397169607.db2.gz	SMEGOALLCQFEFF-UHFFFAOYSA-N	0	0	317.265	0.612	10	5		DCBERN
CCN1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O	ZINC000619797843	397193921	/nfs/dbraw/zinc/19/39/21/397193921.db2.gz	SZFFTOMIQDCVOX-NSHDSACASA-N	0	0	313.335	0.494	10	5		DCBERN
O=[N+]([O-])c1ncccc1NCCCN1CCCS1(=O)=O	ZINC000608779287	397755304	/nfs/dbraw/zinc/75/53/04/397755304.db2.gz	REIMBGLJXILCOZ-UHFFFAOYSA-N	0	0	300.340	0.827	10	5		DCBERN
C[C@H]1C(=O)NCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000190979270	299694237	/nfs/dbraw/zinc/69/42/37/299694237.db2.gz	RRNOSIUHGPYMCL-VIFPVBQESA-N	0	0	313.335	0.494	10	5		DCBERN
C[C@](O)(CO)CNc1ncc([N+](=O)[O-])cc1Br	ZINC000093434224	158120278	/nfs/dbraw/zinc/12/02/78/158120278.db2.gz	XWZZOYGDPBYDRV-SECBINFHSA-N	0	0	306.116	0.908	10	5		DCBERN
CS(=O)(=O)c1cc(N2CC[C@@H](CO)C2)ccc1[N+](=O)[O-]	ZINC000125405595	158255099	/nfs/dbraw/zinc/25/50/99/158255099.db2.gz	ONHMCFRKJLMYAO-SECBINFHSA-N	0	0	300.336	0.817	10	5		DCBERN
CC[C@H](CO)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1	ZINC000131544328	158302844	/nfs/dbraw/zinc/30/28/44/158302844.db2.gz	WRDPVFUNTHTLRF-LLVKDONJSA-N	0	0	322.365	0.706	10	5		DCBERN
O=C1C[C@]2(CN1)CCCN(c1ccc3ncc([N+](=O)[O-])n3n1)C2	ZINC000408060109	287232859	/nfs/dbraw/zinc/23/28/59/287232859.db2.gz	SEEJKJOZTBINDB-AWEZNQCLSA-N	0	0	316.321	0.744	10	5		DCBERN
Cc1nnc([C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCO2)[nH]1	ZINC000174878657	416090254	/nfs/dbraw/zinc/09/02/54/416090254.db2.gz	SPZFULZRQGWOCM-LLVKDONJSA-N	0	0	307.314	0.291	10	5		DCBERN
COC(=O)c1cc(NC[C@@H]2CN3CCN2CC3)ccc1[N+](=O)[O-]	ZINC000301778453	416091472	/nfs/dbraw/zinc/09/14/72/416091472.db2.gz	MHTZNPYHARVBLQ-GFCCVEGCSA-N	0	0	320.349	0.793	10	5		DCBERN
CCOc1ccc(C(=O)N2CC(CC(N)=O)C2)cc1[N+](=O)[O-]	ZINC000358129361	416198269	/nfs/dbraw/zinc/19/82/69/416198269.db2.gz	SFFDXXZRRPHWBQ-UHFFFAOYSA-N	0	0	307.306	0.941	10	5		DCBERN
O=C(NCCCN1CCCC1=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000178362730	416163014	/nfs/dbraw/zinc/16/30/14/416163014.db2.gz	RGQJESVRKFGYOS-UHFFFAOYSA-N	0	0	324.341	0.103	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)n1	ZINC000191834917	416290646	/nfs/dbraw/zinc/29/06/46/416290646.db2.gz	MWBNAKSNLMHGIX-SECBINFHSA-N	0	0	323.353	0.940	10	5		DCBERN
CN(CCCO)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000443005900	416724195	/nfs/dbraw/zinc/72/41/95/416724195.db2.gz	ZRKFVJUYWNXBCP-UHFFFAOYSA-N	0	0	305.294	0.630	10	5		DCBERN
CCOc1ccc(C(=O)N2CC(=O)N[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000456193512	417631903	/nfs/dbraw/zinc/63/19/03/417631903.db2.gz	QMSFGMCPXSBOLD-VIFPVBQESA-N	0	0	307.306	0.954	10	5		DCBERN
CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1nnnn1C	ZINC000444637406	287429854	/nfs/dbraw/zinc/42/98/54/287429854.db2.gz	IOWDNKKTJNMKDC-UHFFFAOYSA-N	0	0	302.298	0.627	10	5		DCBERN
CCc1ccc(C(=O)NC[C@@H](O)Cn2ccnn2)cc1[N+](=O)[O-]	ZINC000458141151	271944276	/nfs/dbraw/zinc/94/42/76/271944276.db2.gz	NZSRTGRCOCHBEL-GFCCVEGCSA-N	0	0	319.321	0.540	10	5		DCBERN
CO[C@@H]1CC[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1	ZINC000530408816	287747642	/nfs/dbraw/zinc/74/76/42/287747642.db2.gz	CNMKLXIIMNCGGS-DTWKUNHWSA-N	0	0	301.324	0.836	10	5		DCBERN
CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000535756105	287841618	/nfs/dbraw/zinc/84/16/18/287841618.db2.gz	QXVKBICORQXZEU-VIFPVBQESA-N	0	0	310.310	0.885	10	5		DCBERN
NC(=O)c1ccc(N2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1	ZINC000184348066	295182200	/nfs/dbraw/zinc/18/22/00/295182200.db2.gz	NAPDCLSWDNPDDK-AWEZNQCLSA-N	0	0	307.306	0.689	10	5		DCBERN
Cc1ccn2c(c1)nnc2NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000176308681	534352073	/nfs/dbraw/zinc/35/20/73/534352073.db2.gz	HHNUWTRMBRTUCG-UHFFFAOYSA-N	0	0	301.266	0.781	10	5		DCBERN
CCCc1n[nH]c(C(=O)N[C@@H]2CCC(=O)N(C)C2)c1[N+](=O)[O-]	ZINC000130939816	521329545	/nfs/dbraw/zinc/32/95/45/521329545.db2.gz	LUVHHQFBLPLAOX-MRVPVSSYSA-N	0	0	309.326	0.621	10	5		DCBERN
COCC(=O)NC1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1	ZINC000185291517	522756136	/nfs/dbraw/zinc/75/61/36/522756136.db2.gz	WAZRLPMVWQZSQF-UHFFFAOYSA-N	0	0	321.333	0.501	10	5		DCBERN
Cc1cc([N+](=O)[O-])cn(CCN2C(=O)NC(C)(C)C2=O)c1=O	ZINC000155931029	525572075	/nfs/dbraw/zinc/57/20/75/525572075.db2.gz	TYHHKSTWKOMVBF-UHFFFAOYSA-N	0	0	308.294	0.395	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cncnc2N(C)C)n1	ZINC000191663667	529155184	/nfs/dbraw/zinc/15/51/84/529155184.db2.gz	XOKAXTUELQFJEO-UHFFFAOYSA-N	0	0	305.298	0.920	10	5		DCBERN
CCc1n[nH]c(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-]	ZINC000284758012	536002374	/nfs/dbraw/zinc/00/23/74/536002374.db2.gz	OMYGRIFELWXEBI-GHMZBOCLSA-N	0	0	323.353	0.425	10	5		DCBERN
O=[N+]([O-])c1ccc(OC[C@@H](O)CN2CCOCC2)cc1F	ZINC000154185481	665093937	/nfs/dbraw/zinc/09/39/37/665093937.db2.gz	RYDKOWQRRCCQTG-JTQLQIEISA-N	0	0	300.286	0.806	10	5		DCBERN
O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc[nH]1	ZINC000130077623	669583733	/nfs/dbraw/zinc/58/37/33/669583733.db2.gz	RKKGWUGKDJIBQM-STQMWFEESA-N	0	0	305.290	0.747	10	5		DCBERN
COc1ccc(S(=O)(=O)NCc2ncc[nH]2)cc1[N+](=O)[O-]	ZINC000080624356	1174485100	/nfs/dbraw/zinc/48/51/00/1174485100.db2.gz	IKHJLAMYUDTIPB-UHFFFAOYSA-N	0	0	312.307	0.805	10	5		DCBERN
Nc1c(Cl)cc(C(=O)N2CCCNC(=O)C2)cc1[N+](=O)[O-]	ZINC000087887162	1175226637	/nfs/dbraw/zinc/22/66/37/1175226637.db2.gz	IBHHYEPXIXZXGY-UHFFFAOYSA-N	0	0	312.713	0.793	10	5		DCBERN
O=C(NCC(F)F)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000181313114	199279947	/nfs/dbraw/zinc/27/99/47/199279947.db2.gz	KYHLOQWVXUHNGP-GXSJLCMTSA-N	0	0	319.264	0.553	10	5		DCBERN
CNC(=O)[C@H]1CCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C	ZINC000171489037	186167935	/nfs/dbraw/zinc/16/79/35/186167935.db2.gz	CXXSQLNEJONMMQ-SNVBAGLBSA-N	0	0	309.326	0.227	10	5		DCBERN
Cc1nn(C)c(C)c1CN(C)C(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000002778251	180955612	/nfs/dbraw/zinc/95/56/12/180955612.db2.gz	KIJZAKOTUDZWRU-UHFFFAOYSA-N	0	0	306.326	0.951	10	5		DCBERN
Cc1nccn1C[C@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000177205890	198685839	/nfs/dbraw/zinc/68/58/39/198685839.db2.gz	XWXIFPYREOPIFE-GFCCVEGCSA-N	0	0	318.337	0.987	10	5		DCBERN
CN(C)c1ncccc1CNC(=O)c1c([N+](=O)[O-])cnn1C	ZINC000162008160	291242931	/nfs/dbraw/zinc/24/29/31/291242931.db2.gz	YVEBCWUNLLUGRZ-UHFFFAOYSA-N	0	0	304.310	0.719	10	5		DCBERN
Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCN(c2ccnn2C)C1=O	ZINC000568824758	291447881	/nfs/dbraw/zinc/44/78/81/291447881.db2.gz	ZWYDSOLCPOAJEM-SECBINFHSA-N	0	0	319.325	0.669	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O	ZINC000408031232	296186390	/nfs/dbraw/zinc/18/63/90/296186390.db2.gz	LNGLTQQSRHFCQJ-RAIGVLPGSA-N	0	0	309.322	0.925	10	5		DCBERN
COCCN(CCOC)c1ncnc(-n2ccnc2)c1[N+](=O)[O-]	ZINC000040618397	183109651	/nfs/dbraw/zinc/10/96/51/183109651.db2.gz	UBXCMNJHJWENAO-UHFFFAOYSA-N	0	0	322.325	0.670	10	5		DCBERN
CC(=O)c1ccc(OC[C@H](O)CN2CCOCC2)c([N+](=O)[O-])c1	ZINC000339326285	253064288	/nfs/dbraw/zinc/06/42/88/253064288.db2.gz	VJIRNXWIIHOFCF-CYBMUJFWSA-N	0	0	324.333	0.869	10	5		DCBERN
Cc1ccc(S(=O)(=O)NCC2CC(O)C2)cc1[N+](=O)[O-]	ZINC000091524679	395726074	/nfs/dbraw/zinc/72/60/74/395726074.db2.gz	ZOEQERYANBUHHS-UHFFFAOYSA-N	0	0	300.336	0.952	10	5		DCBERN
Cc1nn(C)c(C(=O)N2CCN3CCCC[C@@H]3C2)c1[N+](=O)[O-]	ZINC000195048457	395814262	/nfs/dbraw/zinc/81/42/62/395814262.db2.gz	SQPSQCSCNDTSKS-LLVKDONJSA-N	0	0	307.354	0.947	10	5		DCBERN
C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1N1CCOCC1	ZINC000122652479	395887888	/nfs/dbraw/zinc/88/78/88/395887888.db2.gz	GAKJVVXZZYATBM-KOLCDFICSA-N	0	0	309.326	0.111	10	5		DCBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H](Oc2cccnc2)C1	ZINC000151533925	395987317	/nfs/dbraw/zinc/98/73/17/395987317.db2.gz	HORQDKXEELTSJV-GFCCVEGCSA-N	0	0	317.305	0.866	10	5		DCBERN
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@+]2([O-])CCC[C@@H]12)[C@@H](C)O	ZINC000253623453	396031628	/nfs/dbraw/zinc/03/16/28/396031628.db2.gz	ZRIYCGOWLRWLAO-YCLREWFLSA-N	0	0	302.391	0.686	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@H](c2nccs2)C1	ZINC000171855041	396126936	/nfs/dbraw/zinc/12/69/36/396126936.db2.gz	DNDYNNRRXLTAAD-SNVBAGLBSA-N	0	0	323.334	0.848	10	5		DCBERN
COc1ccc([N+](=O)[O-])c(C(=O)N2CCCNC(=O)[C@@H]2C)c1	ZINC000189236689	396392097	/nfs/dbraw/zinc/39/20/97/396392097.db2.gz	KGXRIOWKPGAFIB-VIFPVBQESA-N	0	0	307.306	0.954	10	5		DCBERN
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC(n2ccnn2)C1	ZINC000371620526	396472331	/nfs/dbraw/zinc/47/23/31/396472331.db2.gz	XJFXRPLVXJGTEC-UHFFFAOYSA-N	0	0	316.321	0.949	10	5		DCBERN
Nc1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1[N+](=O)[O-]	ZINC000371869211	396479113	/nfs/dbraw/zinc/47/91/13/396479113.db2.gz	FBUPMAHUDVBDEX-NSHDSACASA-N	0	0	306.322	0.334	10	5		DCBERN
Cn1cc(CNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)nn1	ZINC000588014968	396674555	/nfs/dbraw/zinc/67/45/55/396674555.db2.gz	QEARGTOPROVWHO-UHFFFAOYSA-N	0	0	317.309	0.526	10	5		DCBERN
O=C(COc1ccc([N+](=O)[O-])cc1)N1CC(n2ccnn2)C1	ZINC000374802882	396688391	/nfs/dbraw/zinc/68/83/91/396688391.db2.gz	XOTLZXKNTOJWKY-UHFFFAOYSA-N	0	0	303.278	0.649	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000596433534	396774742	/nfs/dbraw/zinc/77/47/42/396774742.db2.gz	HKOVZQTYWNWWIY-ONGXEEELSA-N	0	0	304.299	0.958	10	5		DCBERN
Cc1ccc(NC(=O)C(=O)NCc2cn(C)nn2)cc1[N+](=O)[O-]	ZINC000611952227	396956954	/nfs/dbraw/zinc/95/69/54/396956954.db2.gz	QPVLFMNJQGNAQV-UHFFFAOYSA-N	0	0	318.293	0.287	10	5		DCBERN
CC(=O)N1CCN(CCNc2ncc(F)cc2[N+](=O)[O-])CC1	ZINC000601105309	397004232	/nfs/dbraw/zinc/00/42/32/397004232.db2.gz	ZGRBLFJTBWGUEY-UHFFFAOYSA-N	0	0	311.317	0.705	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC([C@@H]2CCOC2)CC1	ZINC000612346003	397032588	/nfs/dbraw/zinc/03/25/88/397032588.db2.gz	IVJWWJAZUCEXMZ-LLVKDONJSA-N	0	0	309.326	0.461	10	5		DCBERN
COC[C@](C)(CO)NC(=O)CCOc1ccccc1[N+](=O)[O-]	ZINC000613533802	397274513	/nfs/dbraw/zinc/27/45/13/397274513.db2.gz	GJNYJRMGEMARLT-AWEZNQCLSA-N	0	0	312.322	0.877	10	5		DCBERN
COC[C@@](C)(CO)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000613534722	397274862	/nfs/dbraw/zinc/27/48/62/397274862.db2.gz	RVRQYBBGKCRGAB-CYBMUJFWSA-N	0	0	312.278	0.451	10	5		DCBERN
Cc1nn(C)c(NCCCN2CCCS2(=O)=O)c1[N+](=O)[O-]	ZINC000608779214	397755420	/nfs/dbraw/zinc/75/54/20/397755420.db2.gz	BJJXPYDPZPAEQK-UHFFFAOYSA-N	0	0	317.371	0.474	10	5		DCBERN
CC(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1	ZINC000055199029	158022560	/nfs/dbraw/zinc/02/25/60/158022560.db2.gz	GIZBZBLHBWHNCF-UHFFFAOYSA-N	0	0	306.322	0.993	10	5		DCBERN
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)N(C)C	ZINC000066333463	158036457	/nfs/dbraw/zinc/03/64/57/158036457.db2.gz	NFHZILVFGGWHOY-LURJTMIESA-N	0	0	307.353	0.411	10	5		DCBERN
NC(=O)NCCNc1ncc([N+](=O)[O-])cc1Br	ZINC000125279374	158253233	/nfs/dbraw/zinc/25/32/33/158253233.db2.gz	KXGZHGVIFBANIK-UHFFFAOYSA-N	0	0	304.104	0.833	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O	ZINC000408031237	160016990	/nfs/dbraw/zinc/01/69/90/160016990.db2.gz	LNGLTQQSRHFCQJ-UHTWSYAYSA-N	0	0	309.322	0.925	10	5		DCBERN
CCc1n[nH]c(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-]	ZINC000408298898	160078977	/nfs/dbraw/zinc/07/89/77/160078977.db2.gz	RGBLMQXZIOCGHK-UWVGGRQHSA-N	0	0	309.326	0.035	10	5		DCBERN
CNC(=O)c1ccc(N2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])c1	ZINC000274354894	415351408	/nfs/dbraw/zinc/35/14/08/415351408.db2.gz	BWABRTUSUHANBF-OAHLLOKOSA-N	0	0	321.333	0.950	10	5		DCBERN
COC(=O)c1cc(NC[C@H]2CN3CCN2CC3)ccc1[N+](=O)[O-]	ZINC000301778454	416092708	/nfs/dbraw/zinc/09/27/08/416092708.db2.gz	MHTZNPYHARVBLQ-LBPRGKRZSA-N	0	0	320.349	0.793	10	5		DCBERN
O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)NCC1CC1	ZINC000179914498	416193638	/nfs/dbraw/zinc/19/36/38/416193638.db2.gz	CAKVDZKQSQPKCO-UHFFFAOYSA-N	0	0	319.364	0.461	10	5		DCBERN
CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191579312	416287431	/nfs/dbraw/zinc/28/74/31/416287431.db2.gz	DXNATRBZWHZUSO-IUCAKERBSA-N	0	0	311.342	0.844	10	5		DCBERN
CCC[C@@]1(C)C(=O)NCCN1C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191899145	416291211	/nfs/dbraw/zinc/29/12/11/416291211.db2.gz	YFUOUNPCVNHQMO-AWEZNQCLSA-N	0	0	323.353	0.942	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(NC[C@H](CO)[C@H]3CCOC3)nn21	ZINC000360276664	416384031	/nfs/dbraw/zinc/38/40/31/416384031.db2.gz	XZQSFUMHYBHGGQ-VHSXEESVSA-N	0	0	307.310	0.694	10	5		DCBERN
CC(=O)[C@@](C)(O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000459514059	416547516	/nfs/dbraw/zinc/54/75/16/416547516.db2.gz	RUVWNNIFEWMLEE-AWEZNQCLSA-N	0	0	308.338	0.452	10	5		DCBERN
CCc1nc(C(C)(C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)no1	ZINC000441256162	416667552	/nfs/dbraw/zinc/66/75/52/416667552.db2.gz	MRBXQFMQHCTQMX-JTQLQIEISA-N	0	0	324.341	0.623	10	5		DCBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000615818748	416916167	/nfs/dbraw/zinc/91/61/67/416916167.db2.gz	OWZIXSYTNJSALJ-NGZCFLSTSA-N	0	0	322.321	0.742	10	5		DCBERN
CN1C(=O)NC2(CCN(c3ccncc3[N+](=O)[O-])CC2)C1=O	ZINC000617462218	417222915	/nfs/dbraw/zinc/22/29/15/417222915.db2.gz	CYKSIVRUXUKGIZ-UHFFFAOYSA-N	0	0	305.294	0.510	10	5		DCBERN
COC[C@](C)(NC(=O)Cn1ccc([N+](=O)[O-])n1)C(F)(F)F	ZINC000362205996	262009942	/nfs/dbraw/zinc/00/99/42/262009942.db2.gz	YCUWKRUGWIRIPF-VIFPVBQESA-N	0	0	310.232	0.875	10	5		DCBERN
CC(C)(C)n1ncn(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1=O	ZINC000180412438	277291125	/nfs/dbraw/zinc/29/11/25/277291125.db2.gz	JMZLVRNMHWCARF-UHFFFAOYSA-N	0	0	319.321	0.855	10	5		DCBERN
CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@]2(CCOC2)O1	ZINC000408081969	280383572	/nfs/dbraw/zinc/38/35/72/280383572.db2.gz	UZHZBTSJHXTJDP-RNCFNFMXSA-N	0	0	310.310	0.728	10	5		DCBERN
CC(=O)N1CC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000552352810	288273436	/nfs/dbraw/zinc/27/34/36/288273436.db2.gz	URIQJCBKAZTNOK-GFCCVEGCSA-N	0	0	321.333	0.958	10	5		DCBERN
CN(C)C(=O)N1CCN(Cc2c([N+](=O)[O-])ncn2C)C(C)(C)C1	ZINC000408131680	288980405	/nfs/dbraw/zinc/98/04/05/288980405.db2.gz	HQACGFPMZLCONX-UHFFFAOYSA-N	0	0	324.385	0.906	10	5		DCBERN
CN1CCO[C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@H]21	ZINC000286250253	290113204	/nfs/dbraw/zinc/11/32/04/290113204.db2.gz	DZQGWZNMNNLVPF-OLZOCXBDSA-N	0	0	320.349	0.722	10	5		DCBERN
CN1CCO[C@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]21	ZINC000408150562	290118805	/nfs/dbraw/zinc/11/88/05/290118805.db2.gz	MNTSOXWMDSEAQU-RYUDHWBXSA-N	0	0	306.322	0.332	10	5		DCBERN
NC(=O)[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000158165639	295120128	/nfs/dbraw/zinc/12/01/28/295120128.db2.gz	GCMLUSZUINSYKY-JTQLQIEISA-N	0	0	313.697	0.575	10	5		DCBERN
O=[N+]([O-])c1cnn(-c2cncc(-n3cc([N+](=O)[O-])cn3)n2)c1	ZINC000584623754	337375180	/nfs/dbraw/zinc/37/51/80/337375180.db2.gz	NKCQNWZLLVFUIP-UHFFFAOYSA-N	0	0	302.210	0.664	10	5		DCBERN
CC(=O)NC1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1	ZINC000191486609	519648921	/nfs/dbraw/zinc/64/89/21/519648921.db2.gz	UGNAMTWJSDBUDL-UHFFFAOYSA-N	0	0	322.277	0.772	10	5		DCBERN
COCC(=O)NC1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1	ZINC000189192975	522755172	/nfs/dbraw/zinc/75/51/72/522755172.db2.gz	RIYSJCPDPROACU-QPJJXVBHSA-N	0	0	319.317	0.581	10	5		DCBERN
CN1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC1=O	ZINC000131164033	524012981	/nfs/dbraw/zinc/01/29/81/524012981.db2.gz	DUMAGENMEYQZAU-QMMMGPOBSA-N	0	0	317.305	0.822	10	5		DCBERN
Cc1cc(C(=O)N[C@H]2CCC(=O)N(C)C2)c(N)c([N+](=O)[O-])c1	ZINC000132335322	524149958	/nfs/dbraw/zinc/14/99/58/524149958.db2.gz	YEUDOITXWJVMNQ-VIFPVBQESA-N	0	0	306.322	0.836	10	5		DCBERN
CCOc1ccc(C(=O)N2C[C@@H](O)[C@H](OC)C2)cc1[N+](=O)[O-]	ZINC000456386798	535703272	/nfs/dbraw/zinc/70/32/72/535703272.db2.gz	DOMPRCNOWFHOCQ-DGCLKSJQSA-N	0	0	310.306	0.825	10	5		DCBERN
CCc1n[nH]c(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-]	ZINC000284758023	536000686	/nfs/dbraw/zinc/00/06/86/536000686.db2.gz	OMYGRIFELWXEBI-QWRGUYRKSA-N	0	0	323.353	0.425	10	5		DCBERN
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)[C@H]2C1	ZINC000285716780	536469007	/nfs/dbraw/zinc/46/90/07/536469007.db2.gz	JOBWVLSVIFBZKT-JSGCOSHPSA-N	0	0	321.333	0.846	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C(=O)N(C)C)C(C)C	ZINC000729709834	662907574	/nfs/dbraw/zinc/90/75/74/662907574.db2.gz	XIZYZXQLPSJNCD-LBPRGKRZSA-N	0	0	312.326	0.756	10	5		DCBERN
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000068100435	665398496	/nfs/dbraw/zinc/39/84/96/665398496.db2.gz	SHFYELWAEBJBCS-SCZZXKLOSA-N	0	0	306.322	0.903	10	5		DCBERN
CC[C@H](C)[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(N)=O	ZINC000120832103	1176945526	/nfs/dbraw/zinc/94/55/26/1176945526.db2.gz	URXPDEXNFRZSJD-ZANVPECISA-N	0	0	309.322	0.990	10	5		DCBERN
O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1C[C@H](O)[C@@H](CO)C1	ZINC000317650908	1190422821	/nfs/dbraw/zinc/42/28/21/1190422821.db2.gz	LPIMPWRSASKDCK-KCJUWKMLSA-N	0	0	300.698	0.673	10	5		DCBERN
O=[N+]([O-])c1cnc(N[C@@H]2COC[C@@H]2O)c(Br)c1	ZINC000323489037	1190445527	/nfs/dbraw/zinc/44/55/27/1190445527.db2.gz	LYAWEDUDNDSJRM-SFYZADRCSA-N	0	0	304.100	0.924	10	5		DCBERN
Cn1cnnc1CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC000050705455	770280106	/nfs/dbraw/zinc/28/01/06/770280106.db2.gz	NGJIQXYKFIWNFU-UHFFFAOYSA-N	0	0	310.701	0.889	10	5		DCBERN
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C[C@H](O)[C@@H](CO)C1	ZINC000317595898	775103351	/nfs/dbraw/zinc/10/33/51/775103351.db2.gz	DNYMJZMJWWFZCY-KCJUWKMLSA-N	0	0	300.698	0.673	10	5		DCBERN
O=C(NCC(F)F)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000181313082	199279795	/nfs/dbraw/zinc/27/97/95/199279795.db2.gz	KYHLOQWVXUHNGP-MWLCHTKSSA-N	0	0	319.264	0.553	10	5		DCBERN
CC(=O)NC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)CCO1	ZINC000172141186	198045508	/nfs/dbraw/zinc/04/55/08/198045508.db2.gz	ZXERILJCHKSHBL-CYBMUJFWSA-N	0	0	321.333	0.880	10	5		DCBERN
CS(=O)(=O)N1CCN(c2ccc(C=O)cc2[N+](=O)[O-])CC1	ZINC000016738339	182059559	/nfs/dbraw/zinc/05/95/59/182059559.db2.gz	FBSUKMRTHWXOTC-UHFFFAOYSA-N	0	0	313.335	0.489	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](O)C1	ZINC000035623867	182783355	/nfs/dbraw/zinc/78/33/55/182783355.db2.gz	YMSWHHCJNGCASY-JTQLQIEISA-N	0	0	316.335	0.749	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](n2cncn2)C1	ZINC000105855220	194147924	/nfs/dbraw/zinc/14/79/24/194147924.db2.gz	RXBJXSVDDFBTPR-NSHDSACASA-N	0	0	319.325	0.555	10	5		DCBERN
CCn1c(C)nc([N+](=O)[O-])c1N1CCS(=O)(=O)[C@H](C)C1	ZINC000288895544	220516002	/nfs/dbraw/zinc/51/60/02/220516002.db2.gz	NJQGGMZCHMPEKP-MRVPVSSYSA-N	0	0	302.356	0.743	10	5		DCBERN
O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000089753057	395714497	/nfs/dbraw/zinc/71/44/97/395714497.db2.gz	SVQFESDMIVHCGJ-MRVPVSSYSA-N	0	0	311.681	0.783	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1CC(O)C1	ZINC000091537968	395726098	/nfs/dbraw/zinc/72/60/98/395726098.db2.gz	MCPYUUABQPTLBR-UHFFFAOYSA-N	0	0	300.336	0.952	10	5		DCBERN
C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)CO	ZINC000151175266	395981451	/nfs/dbraw/zinc/98/14/51/395981451.db2.gz	FWSBPTXIGRCVJZ-NXEZZACHSA-N	0	0	309.322	0.458	10	5		DCBERN
CCc1n[nH]c(C(=O)N(C)CC(=O)NC(C)(C)C)c1[N+](=O)[O-]	ZINC000171397919	396116417	/nfs/dbraw/zinc/11/64/17/396116417.db2.gz	FHSHAMMGUHTQST-UHFFFAOYSA-N	0	0	311.342	0.867	10	5		DCBERN
O=C(NC[C@@H](O)CN1CCOCC1)c1ccc([N+](=O)[O-])s1	ZINC000176438880	396155563	/nfs/dbraw/zinc/15/55/63/396155563.db2.gz	RTNAQRKCCBACSP-SECBINFHSA-N	0	0	315.351	0.079	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ncc[nH]1	ZINC000080624188	396283612	/nfs/dbraw/zinc/28/36/12/396283612.db2.gz	XYMLXRLZOFRTCB-UHFFFAOYSA-N	0	0	312.307	0.805	10	5		DCBERN
COCC(=O)NC1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1	ZINC000185230492	396322219	/nfs/dbraw/zinc/32/22/19/396322219.db2.gz	UFPYYMMSPHBIMN-UHFFFAOYSA-N	0	0	307.306	0.490	10	5		DCBERN
CCN1C(=O)[C@H]2CN(c3ccc([N+](=O)[O-])nc3)CCN2C1=O	ZINC000610588962	396732642	/nfs/dbraw/zinc/73/26/42/396732642.db2.gz	MEGFTCCHUMNUJU-SNVBAGLBSA-N	0	0	305.294	0.463	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1C	ZINC000596432804	396774772	/nfs/dbraw/zinc/77/47/72/396774772.db2.gz	FWINGSDADPOGBE-UWVGGRQHSA-N	0	0	301.324	0.522	10	5		DCBERN
CN1CN(c2ncc(Br)cc2[N+](=O)[O-])CC1=O	ZINC000611524941	396879873	/nfs/dbraw/zinc/87/98/73/396879873.db2.gz	WAJQMRPVHGZTDA-UHFFFAOYSA-N	0	0	301.100	0.988	10	5		DCBERN
CO[C@](C)(CO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000594483365	397561216	/nfs/dbraw/zinc/56/12/16/397561216.db2.gz	AUKPKDRRZXJSDH-NSHDSACASA-N	0	0	304.324	0.271	10	5		DCBERN
CO[C@](C)(CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000594485720	397562180	/nfs/dbraw/zinc/56/21/80/397562180.db2.gz	STMKVVAGWJBNHH-NSHDSACASA-N	0	0	304.324	0.271	10	5		DCBERN
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCNC(=O)CC1	ZINC000054257349	158020666	/nfs/dbraw/zinc/02/06/66/158020666.db2.gz	GKJHFNLMMVJQOK-JTQLQIEISA-N	0	0	306.322	0.744	10	5		DCBERN
CCCc1n[nH]c(C(=O)N[C@@H]2CCc3ncnn3C2)c1[N+](=O)[O-]	ZINC000112725238	158144330	/nfs/dbraw/zinc/14/43/30/158144330.db2.gz	XEOZXQKKTJXOGE-MRVPVSSYSA-N	0	0	319.325	0.607	10	5		DCBERN
CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)CO)c1	ZINC000090285094	286729447	/nfs/dbraw/zinc/72/94/47/286729447.db2.gz	NPKHLWFQAGUZEH-LBPRGKRZSA-N	0	0	300.336	0.790	10	5		DCBERN
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN2CCCC[C@H]2C1	ZINC000408027322	160015703	/nfs/dbraw/zinc/01/57/03/160015703.db2.gz	MWDPWCRVPDYJCH-LBPRGKRZSA-N	0	0	320.349	0.453	10	5		DCBERN
Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@](O)(C(F)(F)F)C1	ZINC000408054462	160024501	/nfs/dbraw/zinc/02/45/01/160024501.db2.gz	LTBXWKUTLZMSCA-VIFPVBQESA-N	0	0	308.216	0.468	10	5		DCBERN
C[C@H]1C[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC(=O)N1	ZINC000408201793	160059136	/nfs/dbraw/zinc/05/91/36/160059136.db2.gz	KBHRVDNYNXIURN-VHSXEESVSA-N	0	0	318.333	0.789	10	5		DCBERN
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1N1CCOCC1	ZINC000408233496	160065748	/nfs/dbraw/zinc/06/57/48/160065748.db2.gz	VDRRZIPYMHSOPS-ZWNOBZJWSA-N	0	0	308.338	0.716	10	5		DCBERN
COC(=O)[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1	ZINC000136768530	287027248	/nfs/dbraw/zinc/02/72/48/287027248.db2.gz	JVKJFJXUJJGKKC-SNVBAGLBSA-N	0	0	304.262	0.962	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCCN2CCOCC2)n1	ZINC000138485948	287029323	/nfs/dbraw/zinc/02/93/23/287029323.db2.gz	YBYOWFRTMLQFBP-UHFFFAOYSA-N	0	0	311.342	0.263	10	5		DCBERN
Cc1c(C(=O)Nc2cn(C)c(=O)n(C)c2=O)cccc1[N+](=O)[O-]	ZINC000150742676	287030457	/nfs/dbraw/zinc/03/04/57/287030457.db2.gz	WKDQSZNVPLBFDO-UHFFFAOYSA-N	0	0	318.289	0.553	10	5		DCBERN
O=C([C@H]1CNC(=O)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000408355296	287233883	/nfs/dbraw/zinc/23/38/83/287233883.db2.gz	RHDQQYNKAHRULM-SECBINFHSA-N	0	0	307.310	0.091	10	5		DCBERN
Cc1cccc(C(=O)NC[C@@H](O)CN2CCOCC2)c1[N+](=O)[O-]	ZINC000154129725	415988675	/nfs/dbraw/zinc/98/86/75/415988675.db2.gz	PLLIEXDGCPJIPH-GFCCVEGCSA-N	0	0	323.349	0.326	10	5		DCBERN
Cn1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O	ZINC000173088278	416052158	/nfs/dbraw/zinc/05/21/58/416052158.db2.gz	NWLXQIPPIWWLFB-UHFFFAOYSA-N	0	0	318.289	0.173	10	5		DCBERN
O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCN1CC2	ZINC000178636332	416168335	/nfs/dbraw/zinc/16/83/35/416168335.db2.gz	ISUDWZLNFNEFHW-VBROQKIQSA-N	0	0	316.361	0.724	10	5		DCBERN
CNC(=O)[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(C)C	ZINC000178687606	416168992	/nfs/dbraw/zinc/16/89/92/416168992.db2.gz	NPWSSZQLONTWOC-ZDUSSCGKSA-N	0	0	309.322	0.860	10	5		DCBERN
COC[C@@](C)(CCO)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000182837958	416233545	/nfs/dbraw/zinc/23/35/45/416233545.db2.gz	PNACOTQLDAZHED-CQSZACIVSA-N	0	0	322.321	0.988	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@@H]1c1nc[nH]n1	ZINC000179344050	416184923	/nfs/dbraw/zinc/18/49/23/416184923.db2.gz	SPARMJXUXXVJSB-SNVBAGLBSA-N	0	0	319.325	0.972	10	5		DCBERN
Cc1ccc2c(n1)OCCN2C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000180476557	416197187	/nfs/dbraw/zinc/19/71/87/416197187.db2.gz	WKZCGUOXECCJRG-UHFFFAOYSA-N	0	0	303.278	0.920	10	5		DCBERN
Cc1cc2c(cc1NC(=O)Cn1cnc([N+](=O)[O-])n1)OCO2	ZINC000358219725	416213582	/nfs/dbraw/zinc/21/35/82/416213582.db2.gz	GCEPKYDFPACVAE-UHFFFAOYSA-N	0	0	305.250	0.862	10	5		DCBERN
CCNC(=O)C1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C1	ZINC000178127454	416157804	/nfs/dbraw/zinc/15/78/04/416157804.db2.gz	OOCXAWRPNBXZNS-UHFFFAOYSA-N	0	0	309.326	0.084	10	5		DCBERN
C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CCO1	ZINC000183555066	416245548	/nfs/dbraw/zinc/24/55/48/416245548.db2.gz	AVJUVWWYLZHVSD-SNVBAGLBSA-N	0	0	309.326	0.784	10	5		DCBERN
Cn1c(CNc2ccc3ncc([N+](=O)[O-])n3n2)nnc1C1CC1	ZINC000361706115	416480294	/nfs/dbraw/zinc/48/02/94/416480294.db2.gz	VXVYGYZZLYESOW-UHFFFAOYSA-N	0	0	314.309	1.256	10	5		DCBERN
Cc1ccc(NC(=O)NC[C@@H](O)Cn2ccnn2)cc1[N+](=O)[O-]	ZINC000459294876	416530916	/nfs/dbraw/zinc/53/09/16/416530916.db2.gz	LQDXUJJIOIFVMD-LLVKDONJSA-N	0	0	320.309	0.677	10	5		DCBERN
COc1cccc(C(=O)N(C)Cc2nnnn2C)c1[N+](=O)[O-]	ZINC000435808447	416537181	/nfs/dbraw/zinc/53/71/81/416537181.db2.gz	MFWOMOHKFLETMZ-UHFFFAOYSA-N	0	0	306.282	0.399	10	5		DCBERN
O=[N+]([O-])c1cccc(CS(=O)(=O)N(CCO)CCCO)c1	ZINC000443778098	416779827	/nfs/dbraw/zinc/77/98/27/416779827.db2.gz	GSKFPZARVBOEHT-UHFFFAOYSA-N	0	0	318.351	0.101	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@@H](O)Cc2ccccc21	ZINC000447713806	417021655	/nfs/dbraw/zinc/02/16/55/417021655.db2.gz	JKANDSJAGIGTMS-JTQLQIEISA-N	0	0	303.278	0.137	10	5		DCBERN
O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@]2(C1)NC(=O)NC2=O	ZINC000447749447	417025267	/nfs/dbraw/zinc/02/52/67/417025267.db2.gz	ZZBUUXVYCBJSGY-LBPRGKRZSA-N	0	0	324.318	0.471	10	5		DCBERN
CCC[C@]1(COC)CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000487617342	287539839	/nfs/dbraw/zinc/53/98/39/287539839.db2.gz	JKMHTRKXYPXDPA-CYBMUJFWSA-N	0	0	311.342	0.994	10	5		DCBERN
CS(=O)(=O)c1cc(NCCn2ccnn2)ccc1[N+](=O)[O-]	ZINC000302142631	230120311	/nfs/dbraw/zinc/12/03/11/230120311.db2.gz	FUKJGEQNCQUYOM-UHFFFAOYSA-N	0	0	311.323	0.702	10	5		DCBERN
CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@H](C)C1	ZINC000357916612	261600680	/nfs/dbraw/zinc/60/06/80/261600680.db2.gz	HTCQGEGNAKFENL-SECBINFHSA-N	0	0	306.322	0.991	10	5		DCBERN
C[C@](O)(CNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CCCCC1	ZINC000360452764	261833700	/nfs/dbraw/zinc/83/37/00/261833700.db2.gz	XGESXOXNKDKWSR-ZDUSSCGKSA-N	0	0	311.342	0.634	10	5		DCBERN
C/C=C\C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)OCC	ZINC000361547030	261936828	/nfs/dbraw/zinc/93/68/28/261936828.db2.gz	CFGQWQKVBFZOJE-ATPLWMGHSA-N	0	0	310.310	0.805	10	5		DCBERN
O=[N+]([O-])c1cccc([C@H](O)CN2CCN3CCOC[C@@H]3C2)c1	ZINC000363796743	262131122	/nfs/dbraw/zinc/13/11/22/262131122.db2.gz	CWGIARLXFPUSPA-LSDHHAIUSA-N	0	0	307.350	0.645	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2CCOC[C@H]2C1	ZINC000363816530	262132598	/nfs/dbraw/zinc/13/25/98/262132598.db2.gz	FKFGWFMBAQBKLA-GFCCVEGCSA-N	0	0	321.333	0.760	10	5		DCBERN
COc1cc(N2CCN(CC(N)=O)CC2)c([N+](=O)[O-])cc1F	ZINC000268166608	277381902	/nfs/dbraw/zinc/38/19/02/277381902.db2.gz	OXACJCAZLXRZMB-UHFFFAOYSA-N	0	0	312.301	0.350	10	5		DCBERN
NC(=O)c1ccc(N2CC[C@H](N3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000173976890	295182718	/nfs/dbraw/zinc/18/27/18/295182718.db2.gz	DTCRNRZHHPPFTG-LBPRGKRZSA-N	0	0	320.349	0.605	10	5		DCBERN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCNC(=O)CC1	ZINC000056003051	302043797	/nfs/dbraw/zinc/04/37/97/302043797.db2.gz	SXUWFJFTLZICJW-UHFFFAOYSA-N	0	0	313.335	0.414	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[C@H](C(N)=O)C1	ZINC000172444748	341799020	/nfs/dbraw/zinc/79/90/20/341799020.db2.gz	IXFPXZBFWIDHEE-QWRGUYRKSA-N	0	0	323.353	0.650	10	5		DCBERN
CC(C)(C)N1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1=O	ZINC000267632562	518723155	/nfs/dbraw/zinc/72/31/55/518723155.db2.gz	JWFLBYDTLDZOBF-MRVPVSSYSA-N	0	0	321.337	0.900	10	5		DCBERN
Cn1cc([C@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)cn1	ZINC000116122445	527317692	/nfs/dbraw/zinc/31/76/92/527317692.db2.gz	GKBFHWIPVGKCQU-JTQLQIEISA-N	0	0	304.310	0.541	10	5		DCBERN
O=C([C@@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1)N1CCOCC1	ZINC000054447913	662766573	/nfs/dbraw/zinc/76/65/73/662766573.db2.gz	NRNZBMRJHQLJSS-GFCCVEGCSA-N	0	0	323.353	0.320	10	5		DCBERN
O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cscn1	ZINC000130254539	669599381	/nfs/dbraw/zinc/59/93/81/669599381.db2.gz	KEZCZBYXNDPWKC-PWSUYJOCSA-N	0	0	323.330	0.876	10	5		DCBERN
O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1C[C@H](O)[C@@H](CO)C1	ZINC000317661652	1190423090	/nfs/dbraw/zinc/42/30/90/1190423090.db2.gz	NAXUEJJBXDOFRX-HQJQHLMTSA-N	0	0	300.698	0.673	10	5		DCBERN
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1COC[C@@H]1O	ZINC000323463468	1190445677	/nfs/dbraw/zinc/44/56/77/1190445677.db2.gz	HWNCBTAIBSPGPJ-APPZFPTMSA-N	0	0	322.726	0.286	10	5		DCBERN
CCOC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1	ZINC000072266081	191089983	/nfs/dbraw/zinc/08/99/83/191089983.db2.gz	IOVLRVUFABZVBF-UHFFFAOYSA-N	0	0	308.338	0.862	10	5		DCBERN
COC(=O)C(C)(C)N1CCN(c2c([N+](=O)[O-])ncn2C)CC1	ZINC000489920998	241102565	/nfs/dbraw/zinc/10/25/65/241102565.db2.gz	DFPVDNXHDAPRSS-UHFFFAOYSA-N	0	0	311.342	0.402	10	5		DCBERN
CS(=O)(=O)c1ccc(SC[C@@H](O)CO)c([N+](=O)[O-])c1	ZINC000093958158	193332426	/nfs/dbraw/zinc/33/24/26/193332426.db2.gz	RKBOFUZTLLKVDP-ZETCQYMHSA-N	0	0	307.349	0.444	10	5		DCBERN
COC(=O)[C@@H](CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000037977492	182948979	/nfs/dbraw/zinc/94/89/79/182948979.db2.gz	GXWVTUGKXDGSBG-MRVPVSSYSA-N	0	0	302.670	0.512	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000003156352	395682310	/nfs/dbraw/zinc/68/23/10/395682310.db2.gz	QMTSXVNPMPHTMN-SNVBAGLBSA-N	0	0	305.333	0.556	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(O)CC1	ZINC000035612170	395721297	/nfs/dbraw/zinc/72/12/97/395721297.db2.gz	NFORAMFFXHDIPE-UHFFFAOYSA-N	0	0	316.335	0.749	10	5		DCBERN
COc1ccc(S(=O)(=O)NCC2CC(O)C2)c([N+](=O)[O-])c1	ZINC000091538609	395725946	/nfs/dbraw/zinc/72/59/46/395725946.db2.gz	FLLZGPIAMPELIA-UHFFFAOYSA-N	0	0	316.335	0.653	10	5		DCBERN
CS(=O)(=O)N[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1	ZINC000116890064	395848878	/nfs/dbraw/zinc/84/88/78/395848878.db2.gz	MLSJGXOJNYJTDE-VIFPVBQESA-N	0	0	317.342	0.857	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(C2CC2)CC1	ZINC000127058928	395914531	/nfs/dbraw/zinc/91/45/31/395914531.db2.gz	GDYHKRZYZGFQEC-UHFFFAOYSA-N	0	0	306.322	0.063	10	5		DCBERN
CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000055247120	395914776	/nfs/dbraw/zinc/91/47/76/395914776.db2.gz	MYMAKCPXXIJXLK-JTQLQIEISA-N	0	0	313.335	0.494	10	5		DCBERN
NC(=O)[C@H]1COCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1	ZINC000273418650	395920029	/nfs/dbraw/zinc/92/00/29/395920029.db2.gz	YQIKQOLDWWHEPF-SECBINFHSA-N	0	0	317.248	0.887	10	5		DCBERN
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000249379399	396006856	/nfs/dbraw/zinc/00/68/56/396006856.db2.gz	QCJQNAAQKKXHHN-KWBADKCTSA-N	0	0	322.321	0.591	10	5		DCBERN
C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N1CCOCC1	ZINC000178163233	396189932	/nfs/dbraw/zinc/18/99/32/396189932.db2.gz	BUJCAPHFPMFDEY-SNVBAGLBSA-N	0	0	308.338	0.628	10	5		DCBERN
Cc1cc(C(=O)NCC(=O)N[C@H](C)[C@@H](C)CO)ccc1[N+](=O)[O-]	ZINC000183971251	396279171	/nfs/dbraw/zinc/27/91/71/396279171.db2.gz	OXWFVBRQZKSQKY-WDEREUQCSA-N	0	0	323.349	0.766	10	5		DCBERN
O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000185110922	396317929	/nfs/dbraw/zinc/31/79/29/396317929.db2.gz	NCENHWWBMAMYRK-GFCCVEGCSA-N	0	0	323.349	0.877	10	5		DCBERN
COC(=O)c1coc(C(=O)NCCn2cc([N+](=O)[O-])cn2)c1	ZINC000185220845	396321678	/nfs/dbraw/zinc/32/16/78/396321678.db2.gz	YQFHNKVPOHXMPB-UHFFFAOYSA-N	0	0	308.250	0.601	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCNC(=O)[C@H]1C	ZINC000188950340	396389324	/nfs/dbraw/zinc/38/93/24/396389324.db2.gz	HOLQHKCMORSICG-SECBINFHSA-N	0	0	309.326	0.227	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@](C)(C(=O)OC)C2CC2)n1	ZINC000191623640	396422878	/nfs/dbraw/zinc/42/28/78/396422878.db2.gz	SKRXBTNXDYBFPK-ZDUSSCGKSA-N	0	0	310.310	0.883	10	5		DCBERN
C[C@H]1C(=O)NCCCN1C(=O)COc1cccc([N+](=O)[O-])c1	ZINC000191768183	396424719	/nfs/dbraw/zinc/42/47/19/396424719.db2.gz	KUZFBXNJSCFVSA-JTQLQIEISA-N	0	0	307.306	0.711	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC/C=C/CO	ZINC000594822032	396522215	/nfs/dbraw/zinc/52/22/15/396522215.db2.gz	XUEUMVRHLOOBHW-NSCUHMNNSA-N	0	0	302.308	0.430	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-]	ZINC000596435372	396776069	/nfs/dbraw/zinc/77/60/69/396776069.db2.gz	MSHAUSXXEUHLQN-APPZFPTMSA-N	0	0	321.742	0.867	10	5		DCBERN
NS(=O)(=O)C[C@@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-]	ZINC000611539620	396883804	/nfs/dbraw/zinc/88/38/04/396883804.db2.gz	VPKLFWHRCBTSQC-QMMMGPOBSA-N	0	0	320.758	0.901	10	5		DCBERN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1cn(C)nn1	ZINC000611935426	396951287	/nfs/dbraw/zinc/95/12/87/396951287.db2.gz	QLNZXHWPBMRNAI-UHFFFAOYSA-N	0	0	311.323	0.510	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1nnnn1C	ZINC000494702945	397532338	/nfs/dbraw/zinc/53/23/38/397532338.db2.gz	LGOKRUUZZBDERY-UHFFFAOYSA-N	0	0	306.282	0.399	10	5		DCBERN
COc1nc(C)cc(C)c1CNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000608972103	397759517	/nfs/dbraw/zinc/75/95/17/397759517.db2.gz	TVNIGZRQNLYPQW-UHFFFAOYSA-N	0	0	320.309	0.523	10	5		DCBERN
CN(C(=O)CN1CCNC(=O)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000054259328	158019447	/nfs/dbraw/zinc/01/94/47/158019447.db2.gz	DDGMKBBNFVFBOU-UHFFFAOYSA-N	0	0	306.322	0.380	10	5		DCBERN
O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1	ZINC000064243792	158032730	/nfs/dbraw/zinc/03/27/30/158032730.db2.gz	XQFAXDKSUWCFFI-UHFFFAOYSA-N	0	0	319.364	0.461	10	5		DCBERN
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000068138769	158042442	/nfs/dbraw/zinc/04/24/42/158042442.db2.gz	HHHKHEAIUJEWDW-ZJUUUORDSA-N	0	0	309.326	0.294	10	5		DCBERN
O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CCN1CC2	ZINC000090698624	158104731	/nfs/dbraw/zinc/10/47/31/158104731.db2.gz	IWGZALVZXVCNPL-AWEZNQCLSA-N	0	0	304.350	0.253	10	5		DCBERN
NC(=O)[C@H]1COCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000180273615	158477253	/nfs/dbraw/zinc/47/72/53/158477253.db2.gz	CFSPDSYXWKHYDK-MJRJWQSSSA-N	0	0	305.290	0.321	10	5		DCBERN
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCO[C@@H]2CCCC[C@H]21	ZINC000408026179	160014556	/nfs/dbraw/zinc/01/45/56/160014556.db2.gz	GHOVAIDHJCSWOY-BXUZGUMPSA-N	0	0	321.333	0.927	10	5		DCBERN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000408031033	160016631	/nfs/dbraw/zinc/01/66/31/160016631.db2.gz	PPRATJZLKAEYFB-SNVBAGLBSA-N	0	0	321.337	0.793	10	5		DCBERN
Cc1cccc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)c1[N+](=O)[O-]	ZINC000150734389	287030344	/nfs/dbraw/zinc/03/03/44/287030344.db2.gz	SVTKXVJLEKXYKN-UHFFFAOYSA-N	0	0	318.289	0.553	10	5		DCBERN
C[C@H](O)C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C	ZINC000245604497	287071124	/nfs/dbraw/zinc/07/11/24/287071124.db2.gz	XSZBMBYTCPHEBN-STQMWFEESA-N	0	0	324.381	0.143	10	5		DCBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)NCc2cccnc2)c1=O	ZINC000127218803	415885949	/nfs/dbraw/zinc/88/59/49/415885949.db2.gz	CFVBUVWWJOHGIR-UHFFFAOYSA-N	0	0	302.290	0.776	10	5		DCBERN
CC1(C)CN(CCn2cc([N+](=O)[O-])cn2)CCS1(=O)=O	ZINC000155237252	415995568	/nfs/dbraw/zinc/99/55/68/415995568.db2.gz	YPDGUIGHCCLKGG-UHFFFAOYSA-N	0	0	302.356	0.300	10	5		DCBERN
CN(C[C@H]1CCCO1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000170692029	416028713	/nfs/dbraw/zinc/02/87/13/416028713.db2.gz	CUZZRJDISRMONU-CYBMUJFWSA-N	0	0	321.333	0.962	10	5		DCBERN
CC1(C)COCCN1CCNc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000170869431	416036153	/nfs/dbraw/zinc/03/61/53/416036153.db2.gz	HTJYJRQMKWECDT-UHFFFAOYSA-N	0	0	323.353	0.611	10	5		DCBERN
CC[C@@H](NC(=O)CS(=O)(=O)NC)c1cccc([N+](=O)[O-])c1	ZINC000175225315	416101008	/nfs/dbraw/zinc/10/10/08/416101008.db2.gz	ZBDGMQYDUYZNNR-LLVKDONJSA-N	0	0	315.351	0.711	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCCNC(=O)c1ccn[nH]1	ZINC000180941973	416202657	/nfs/dbraw/zinc/20/26/57/416202657.db2.gz	KUHMRWRGMGCMGE-UHFFFAOYSA-N	0	0	317.305	0.786	10	5		DCBERN
C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCN1CCO	ZINC000187271854	416260582	/nfs/dbraw/zinc/26/05/82/416260582.db2.gz	AOSJUIBEQNAXHW-LBPRGKRZSA-N	0	0	323.349	0.499	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)n1	ZINC000191666148	416288919	/nfs/dbraw/zinc/28/89/19/416288919.db2.gz	LNZRDIBHXXJRLN-VXGBXAGGSA-N	0	0	324.337	0.831	10	5		DCBERN
COc1ccccc1[C@@H](CO)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000537784254	416562069	/nfs/dbraw/zinc/56/20/69/416562069.db2.gz	ODSLXGFTJOKGAJ-SNVBAGLBSA-N	0	0	321.293	0.045	10	5		DCBERN
CCO[C@@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1OC	ZINC000362677640	416571167	/nfs/dbraw/zinc/57/11/67/416571167.db2.gz	ZIELDCNUXHPFKR-KKFJDGPESA-N	0	0	307.310	1.242	10	5		DCBERN
COC(=O)[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443712711	416775001	/nfs/dbraw/zinc/77/50/01/416775001.db2.gz	UWXXVERAXRDYPE-QMMMGPOBSA-N	0	0	302.308	0.576	10	5		DCBERN
COCCOCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443686644	416775877	/nfs/dbraw/zinc/77/58/77/416775877.db2.gz	PVYJUQVZMHAQSK-UHFFFAOYSA-N	0	0	318.351	0.677	10	5		DCBERN
CC(=O)N1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1	ZINC000568794448	417181461	/nfs/dbraw/zinc/18/14/61/417181461.db2.gz	PBDBCLNWCILGIP-JTQLQIEISA-N	0	0	306.322	0.775	10	5		DCBERN
C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H](O)Cc1ccccc1	ZINC000438233243	287368632	/nfs/dbraw/zinc/36/86/32/287368632.db2.gz	FUAMFXPZCYWRHE-ZYHUDNBSSA-N	0	0	319.321	0.295	10	5		DCBERN
CC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000450573576	417239749	/nfs/dbraw/zinc/23/97/49/417239749.db2.gz	XNNHDDDWYFNFGJ-FZMZJTMJSA-N	0	0	308.338	0.816	10	5		DCBERN
CC(=O)NC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000188562852	261128697	/nfs/dbraw/zinc/12/86/97/261128697.db2.gz	QVGYQGNCHXXJPD-UHFFFAOYSA-N	0	0	305.337	0.165	10	5		DCBERN
CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCOC(C)(C)C1	ZINC000362317459	262021892	/nfs/dbraw/zinc/02/18/92/262021892.db2.gz	JWGKPBUFDFIZCZ-SNVBAGLBSA-N	0	0	311.342	0.992	10	5		DCBERN
CC(C)c1n[nH]c(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-]	ZINC000408223314	278001651	/nfs/dbraw/zinc/00/16/51/278001651.db2.gz	BSQBZAXXPUCECE-VHSXEESVSA-N	0	0	323.353	0.596	10	5		DCBERN
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000547758458	288076224	/nfs/dbraw/zinc/07/62/24/288076224.db2.gz	SRAWZFTVHZLJAG-NSHDSACASA-N	0	0	315.289	0.853	10	5		DCBERN
CN1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O	ZINC000188212243	289937929	/nfs/dbraw/zinc/93/79/29/289937929.db2.gz	OVJCODPCNWOARH-UHFFFAOYSA-N	0	0	313.335	0.448	10	5		DCBERN
C[C@@H](O)CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000163245343	525770769	/nfs/dbraw/zinc/77/07/69/525770769.db2.gz	LXVQOLBDNAMBJU-SNVBAGLBSA-N	0	0	302.352	0.828	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)[C@@H](C)O	ZINC000344892994	663079907	/nfs/dbraw/zinc/07/99/07/663079907.db2.gz	WIGVLOQXABNKIG-HTQZYQBOSA-N	0	0	304.324	0.651	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1C[C@H](CO)[C@H](O)C1	ZINC000317617538	661098528	/nfs/dbraw/zinc/09/85/28/661098528.db2.gz	GZYCXNBOQQTKHS-RDDDGLTNSA-N	0	0	300.698	0.673	10	5		DCBERN
Cc1ccn2ncc(C(=O)OCCn3cnc([N+](=O)[O-])n3)c2n1	ZINC000176675110	658449232	/nfs/dbraw/zinc/44/92/32/658449232.db2.gz	YEMNRJWPYZQMCN-UHFFFAOYSA-N	0	0	317.265	0.394	10	5		DCBERN
COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)O)cc1[N+](=O)[O-]	ZINC000344920423	663080887	/nfs/dbraw/zinc/08/08/87/663080887.db2.gz	SSTMIDGZCHSLCI-JGVFFNPUSA-N	0	0	304.324	0.651	10	5		DCBERN
CC[S@@](=O)CCNC(=O)COc1cccc([N+](=O)[O-])c1	ZINC000733878944	666823387	/nfs/dbraw/zinc/82/33/87/666823387.db2.gz	JVHVCKLPTFSBQK-HXUWFJFHSA-N	0	0	300.336	0.858	10	5		DCBERN
O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1cccc([N+](=O)[O-])c1	ZINC000126474202	668600449	/nfs/dbraw/zinc/60/04/49/668600449.db2.gz	GLBVDLWNPJUIFC-SNVBAGLBSA-N	0	0	313.335	0.310	10	5		DCBERN
COc1ccc(S(=O)(=O)NCc2c[nH]cn2)c([N+](=O)[O-])c1	ZINC000088759619	1175274176	/nfs/dbraw/zinc/27/41/76/1175274176.db2.gz	AVVMOUOFWJIOAQ-UHFFFAOYSA-N	0	0	312.307	0.805	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCS(=O)(=O)C1	ZINC000052930367	761933895	/nfs/dbraw/zinc/93/38/95/761933895.db2.gz	CXOQEIHLWVOYGP-VIFPVBQESA-N	0	0	313.335	0.557	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(NCCS(=O)(=O)N2CCCC2)n1	ZINC000721856038	944939388	/nfs/dbraw/zinc/93/93/88/944939388.db2.gz	WJTACNWNDIBTJT-UHFFFAOYSA-N	0	0	303.344	0.166	10	5		DCBERN
CNC(=O)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000178860828	529896167	/nfs/dbraw/zinc/89/61/67/529896167.db2.gz	IYCSIMDJMGFEEE-ZDUSSCGKSA-N	0	0	309.322	0.860	10	5		DCBERN
COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000108258447	185505630	/nfs/dbraw/zinc/50/56/30/185505630.db2.gz	GZUNCLZNJRRFAI-SECBINFHSA-N	0	0	314.319	0.778	10	5		DCBERN
COc1ccc(C(=O)N2CCN(CCO)[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000187286601	200089619	/nfs/dbraw/zinc/08/96/19/200089619.db2.gz	INIGLLJJQBVIRN-LLVKDONJSA-N	0	0	323.349	0.742	10	5		DCBERN
C[C@H]1C[C@@H](O)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000401566491	239252606	/nfs/dbraw/zinc/25/26/06/239252606.db2.gz	BNBMWSUOZRKKGW-GXSJLCMTSA-N	0	0	300.336	0.986	10	5		DCBERN
COCC1(O)CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1	ZINC000451749182	240697593	/nfs/dbraw/zinc/69/75/93/240697593.db2.gz	LDSOLAZYNQSPCB-UHFFFAOYSA-N	0	0	316.335	0.118	10	5		DCBERN
O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@H]2CCCC[C@H]21	ZINC000263643374	203490222	/nfs/dbraw/zinc/49/02/22/203490222.db2.gz	DFIYADZRVDBCDT-DGCLKSJQSA-N	0	0	321.333	0.927	10	5		DCBERN
O=c1cccnn1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000011856368	181711743	/nfs/dbraw/zinc/71/17/43/181711743.db2.gz	WWUXVOXXJQCZND-UHFFFAOYSA-N	0	0	324.318	0.130	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCO)C1CC1	ZINC000036130948	182805682	/nfs/dbraw/zinc/80/56/82/182805682.db2.gz	UIIMHOLPYIAOHL-UHFFFAOYSA-N	0	0	316.335	0.749	10	5		DCBERN
C[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000044019559	183392594	/nfs/dbraw/zinc/39/25/94/183392594.db2.gz	QURSGHQPKUXLAD-BSOOIWJMSA-N	0	0	319.697	0.455	10	5		DCBERN
CN1CCO[C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1	ZINC000104784213	194040586	/nfs/dbraw/zinc/04/05/86/194040586.db2.gz	GYIXXNFQZJLLNM-GFCCVEGCSA-N	0	0	308.338	0.725	10	5		DCBERN
Nc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1[N+](=O)[O-]	ZINC000112661256	194498853	/nfs/dbraw/zinc/49/88/53/194498853.db2.gz	KKAOOPOLHQVFAQ-SECBINFHSA-N	0	0	302.294	0.513	10	5		DCBERN
CC(=O)c1ccc(NC[C@H](C)S(N)(=O)=O)c([N+](=O)[O-])c1	ZINC000348128485	254222418	/nfs/dbraw/zinc/22/24/18/254222418.db2.gz	ZNHNKVNRNWMKMX-ZETCQYMHSA-N	0	0	301.324	0.886	10	5		DCBERN
C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)S(N)(=O)=O	ZINC000350617053	254319044	/nfs/dbraw/zinc/31/90/44/254319044.db2.gz	ZGSUFWYMXYUUFD-ZCFIWIBFSA-N	0	0	305.287	0.141	10	5		DCBERN
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@+]2([O-])CCC[C@H]12)[C@@H](C)O	ZINC000248144665	257108110	/nfs/dbraw/zinc/10/81/10/257108110.db2.gz	DLNWZIVYKQXLTN-STGWMILLSA-N	0	0	301.383	0.794	10	5		DCBERN
CC(=O)Nc1ccc([N+](=O)[O-])c(N2CCN(C(C)=O)CC2)n1	ZINC000039474834	395732307	/nfs/dbraw/zinc/73/23/07/395732307.db2.gz	IRHIMFUQTFGGIS-UHFFFAOYSA-N	0	0	307.310	0.617	10	5		DCBERN
COC(=O)CC1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CCCC1	ZINC000193910527	395781803	/nfs/dbraw/zinc/78/18/03/395781803.db2.gz	TZBJGQOQHPDIFB-UHFFFAOYSA-N	0	0	310.310	0.783	10	5		DCBERN
COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000108258339	395786936	/nfs/dbraw/zinc/78/69/36/395786936.db2.gz	VSUSJLLSGUQXGI-SECBINFHSA-N	0	0	314.319	0.778	10	5		DCBERN
Cc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)c(N)c([N+](=O)[O-])c1	ZINC000112725282	395823416	/nfs/dbraw/zinc/82/34/16/395823416.db2.gz	GYZSYWFPHJUGEG-SECBINFHSA-N	0	0	316.321	0.822	10	5		DCBERN
C[NH+](C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCO1	ZINC000116977897	395849718	/nfs/dbraw/zinc/84/97/18/395849718.db2.gz	GXNJXSZDJBLWST-NSHDSACASA-N	0	0	309.322	0.703	10	5		DCBERN
COc1ccc(S(=O)(=O)NC2(CO)CC2)cc1[N+](=O)[O-]	ZINC000143170547	395960835	/nfs/dbraw/zinc/96/08/35/395960835.db2.gz	HYMSDAWSKHKMAZ-UHFFFAOYSA-N	0	0	302.308	0.407	10	5		DCBERN
CN1C[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O	ZINC000074863458	396172596	/nfs/dbraw/zinc/17/25/96/396172596.db2.gz	BUOLOFLRZRVDRE-SECBINFHSA-N	0	0	313.335	0.351	10	5		DCBERN
C[C@H]1C(=O)NCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000189337453	396394269	/nfs/dbraw/zinc/39/42/69/396394269.db2.gz	UTMBLZMVOSQZIW-JTQLQIEISA-N	0	0	306.322	0.744	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@](C)(C(=O)OC)C2CC2)n1	ZINC000191623659	396422795	/nfs/dbraw/zinc/42/27/95/396422795.db2.gz	SKRXBTNXDYBFPK-CYBMUJFWSA-N	0	0	310.310	0.883	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C(=O)NC(C)(C)C)n1	ZINC000191785324	396425350	/nfs/dbraw/zinc/42/53/50/396425350.db2.gz	PNSURYNPJCZNIN-MRVPVSSYSA-N	0	0	311.342	0.844	10	5		DCBERN
COc1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1[N+](=O)[O-]	ZINC000371868339	396479017	/nfs/dbraw/zinc/47/90/17/396479017.db2.gz	AFCHLZYONQBOFV-GFCCVEGCSA-N	0	0	321.333	0.760	10	5		DCBERN
COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3CCOC[C@H]3C2)c1	ZINC000612451083	397060189	/nfs/dbraw/zinc/06/01/89/397060189.db2.gz	CDNZWVQGRRRGNK-GFCCVEGCSA-N	0	0	321.333	0.902	10	5		DCBERN
CCN1CC[C@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1=O	ZINC000619824901	397197647	/nfs/dbraw/zinc/19/76/47/397197647.db2.gz	BWPKGJJUNGRDMU-QMMMGPOBSA-N	0	0	309.326	0.792	10	5		DCBERN
CCN1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1=O	ZINC000619825636	397197837	/nfs/dbraw/zinc/19/78/37/397197837.db2.gz	VRIGVIIOLCKTKG-SECBINFHSA-N	0	0	310.285	0.667	10	5		DCBERN
CCN1CC[C@@H](NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1=O	ZINC000619825497	397197881	/nfs/dbraw/zinc/19/78/81/397197881.db2.gz	PMDLSMVNZDSRCQ-LLVKDONJSA-N	0	0	306.322	0.987	10	5		DCBERN
COC[C@](C)(CO)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000613534723	397274801	/nfs/dbraw/zinc/27/48/01/397274801.db2.gz	RVRQYBBGKCRGAB-ZDUSSCGKSA-N	0	0	312.278	0.451	10	5		DCBERN
C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1c([N+](=O)[O-])ncn1C	ZINC000408310449	397352782	/nfs/dbraw/zinc/35/27/82/397352782.db2.gz	SCLNHPBFBYFIEB-BDAKNGLRSA-N	0	0	302.356	0.336	10	5		DCBERN
Cc1nn(C)c(N(C)C[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000610132421	397805222	/nfs/dbraw/zinc/80/52/22/397805222.db2.gz	FTFDGODFLULPLT-VIFPVBQESA-N	0	0	302.356	0.508	10	5		DCBERN
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(C2CC2)C(=O)C1	ZINC000610499492	397827161	/nfs/dbraw/zinc/82/71/61/397827161.db2.gz	MQNVYLRFJFEWSH-UHFFFAOYSA-N	0	0	303.318	0.971	10	5		DCBERN
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCNC(=O)CC1	ZINC000054257953	158019613	/nfs/dbraw/zinc/01/96/13/158019613.db2.gz	SLBIXODLHUCBIP-JTQLQIEISA-N	0	0	306.322	0.744	10	5		DCBERN
NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000066327350	158036564	/nfs/dbraw/zinc/03/65/64/158036564.db2.gz	GEDUYOUCTIDDSG-SSDOTTSWSA-N	0	0	319.364	0.542	10	5		DCBERN
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000068138770	158042496	/nfs/dbraw/zinc/04/24/96/158042496.db2.gz	HHHKHEAIUJEWDW-UWVGGRQHSA-N	0	0	309.326	0.294	10	5		DCBERN
O=C1[C@@H](N2CCNC(=O)CC2)CCN1c1cccc([N+](=O)[O-])c1	ZINC000109131379	158136713	/nfs/dbraw/zinc/13/67/13/158136713.db2.gz	VISWPPUBZCTRAL-ZDUSSCGKSA-N	0	0	318.333	0.522	10	5		DCBERN
Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@](O)(C(F)(F)F)C1	ZINC000408054461	160024220	/nfs/dbraw/zinc/02/42/20/160024220.db2.gz	LTBXWKUTLZMSCA-SECBINFHSA-N	0	0	308.216	0.468	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)n1	ZINC000408095661	160034813	/nfs/dbraw/zinc/03/48/13/160034813.db2.gz	OZHZGDHWZVSBLN-VIFPVBQESA-N	0	0	308.216	0.468	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)NC[C@@H]2C1	ZINC000408386348	160097536	/nfs/dbraw/zinc/09/75/36/160097536.db2.gz	RFRXVWDBAWXZEZ-SNVBAGLBSA-N	0	0	305.294	0.148	10	5		DCBERN
COC(=O)CCCCCNC(=O)Cn1cc([N+](=O)[O-])nc1C	ZINC000068177459	286907639	/nfs/dbraw/zinc/90/76/39/286907639.db2.gz	JWWZUFASJLXXHK-UHFFFAOYSA-N	0	0	312.326	0.949	10	5		DCBERN
Cn1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(=O)n(C)c1=O	ZINC000150733403	287030442	/nfs/dbraw/zinc/03/04/42/287030442.db2.gz	LTSNFURSNKZBQC-UHFFFAOYSA-N	0	0	304.262	0.245	10	5		DCBERN
Cc1cc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)ccc1[N+](=O)[O-]	ZINC000150742497	287030493	/nfs/dbraw/zinc/03/04/93/287030493.db2.gz	CIONVEUVZQWVNI-UHFFFAOYSA-N	0	0	318.289	0.553	10	5		DCBERN
Cn1nccc1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000151639753	287034966	/nfs/dbraw/zinc/03/49/66/287034966.db2.gz	OQGDIOHAPQNXHN-UHFFFAOYSA-N	0	0	310.335	0.948	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](O)C(C)C	ZINC000158843977	416002692	/nfs/dbraw/zinc/00/26/92/416002692.db2.gz	GASXHOBKVFDDOO-JTQLQIEISA-N	0	0	318.351	0.899	10	5		DCBERN
CCNC(=O)C1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1	ZINC000178127995	416158034	/nfs/dbraw/zinc/15/80/34/416158034.db2.gz	JAFKMHJOQDGXBX-UHFFFAOYSA-N	0	0	320.349	0.991	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCCCNC(=O)C2CCC2)n1	ZINC000191654712	416286120	/nfs/dbraw/zinc/28/61/20/416286120.db2.gz	YWRWZAJJJBVDOK-UHFFFAOYSA-N	0	0	323.353	0.847	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(N[C@H](CO)C3CCOCC3)nn21	ZINC000360264407	416382628	/nfs/dbraw/zinc/38/26/28/416382628.db2.gz	DCXSRMDNIZQTAI-SNVBAGLBSA-N	0	0	307.310	0.837	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)Cc1nnnn1C	ZINC000444924437	416876417	/nfs/dbraw/zinc/87/64/17/416876417.db2.gz	QXXNUZVGYBNPCY-UHFFFAOYSA-N	0	0	321.297	0.791	10	5		DCBERN
C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[S@](=O)C1	ZINC000373019403	416950614	/nfs/dbraw/zinc/95/06/14/416950614.db2.gz	NTEKNYWHJSBGPL-FPVGNUTFSA-N	0	0	309.351	0.842	10	5		DCBERN
C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC(=O)N1	ZINC000451883607	417409674	/nfs/dbraw/zinc/40/96/74/417409674.db2.gz	UTSDAXSSYGGJOG-SECBINFHSA-N	0	0	313.335	0.245	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC(=O)N(C)C1	ZINC000360491505	261837013	/nfs/dbraw/zinc/83/70/13/261837013.db2.gz	QQMCBQKIHJBFRH-UHFFFAOYSA-N	0	0	308.294	0.273	10	5		DCBERN
C[C@H](CCc1cccn1C)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000358880520	271078306	/nfs/dbraw/zinc/07/83/06/271078306.db2.gz	IOCKTTZCYPVOFF-SNVBAGLBSA-N	0	0	306.326	0.662	10	5		DCBERN
C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])S(N)(=O)=O	ZINC000359608521	271130415	/nfs/dbraw/zinc/13/04/15/271130415.db2.gz	DQAJFUSOPRYWFE-ZCFIWIBFSA-N	0	0	321.742	0.655	10	5		DCBERN
COCCN1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C	ZINC000174734853	274030617	/nfs/dbraw/zinc/03/06/17/274030617.db2.gz	GCMJBIVEUYSWKF-NSHDSACASA-N	0	0	322.365	0.851	10	5		DCBERN
Cc1nn(C)c(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)c1[N+](=O)[O-]	ZINC000547735490	288073842	/nfs/dbraw/zinc/07/38/42/288073842.db2.gz	KMROPXYLFLWCAW-JTQLQIEISA-N	0	0	322.321	0.457	10	5		DCBERN
NC(=O)[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000158165495	295159090	/nfs/dbraw/zinc/15/90/90/295159090.db2.gz	GCMLUSZUINSYKY-SNVBAGLBSA-N	0	0	313.697	0.575	10	5		DCBERN
Cc1nc([N+](=O)[O-])c(Br)n1C1CS(=O)(=O)C1	ZINC000584637746	337379525	/nfs/dbraw/zinc/37/95/25/337379525.db2.gz	OIQHPFCYWMCZHH-UHFFFAOYSA-N	0	0	310.129	0.832	10	5		DCBERN
CC(=O)NC1CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1	ZINC000190612090	519649136	/nfs/dbraw/zinc/64/91/36/519649136.db2.gz	DKRJUHHYRALZPL-UHFFFAOYSA-N	0	0	322.277	0.772	10	5		DCBERN
CN(C)C(=O)[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O	ZINC000159732512	524015459	/nfs/dbraw/zinc/01/54/59/524015459.db2.gz	KRTLNLOSWXBJQR-GFCCVEGCSA-N	0	0	308.338	0.309	10	5		DCBERN
Cc1cc([N+](=O)[O-])cn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1=O	ZINC000155831562	525573344	/nfs/dbraw/zinc/57/33/44/525573344.db2.gz	HDPFQQQMVDQTHQ-PHIMTYICSA-N	0	0	309.322	0.701	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)CN1CCOCC1	ZINC000128059693	526074064	/nfs/dbraw/zinc/07/40/64/526074064.db2.gz	BDISTTXHLFTERU-ZDUSSCGKSA-N	0	0	323.349	0.326	10	5		DCBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCC[C@@H]1CO	ZINC000161780401	526467729	/nfs/dbraw/zinc/46/77/29/526467729.db2.gz	AKUQZPXGRGLQBH-ZYHUDNBSSA-N	0	0	311.342	0.642	10	5		DCBERN
O=C1CC[C@@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])N1	ZINC000157219888	658734287	/nfs/dbraw/zinc/73/42/87/658734287.db2.gz	VJRXCMGVJQYKPN-ZETCQYMHSA-N	0	0	317.298	0.291	10	5		DCBERN
Cc1nn(C)c(C(=O)O[C@@H](C(=O)N(C)C)C(C)C)c1[N+](=O)[O-]	ZINC000729705476	662907810	/nfs/dbraw/zinc/90/78/10/662907810.db2.gz	MOOGPCQXOIHAJH-LLVKDONJSA-N	0	0	312.326	0.906	10	5		DCBERN
Cc1nn(C)c(C(=O)O[C@H](C(=O)N(C)C)C(C)C)c1[N+](=O)[O-]	ZINC000729705477	662907829	/nfs/dbraw/zinc/90/78/29/662907829.db2.gz	MOOGPCQXOIHAJH-NSHDSACASA-N	0	0	312.326	0.906	10	5		DCBERN
COC(=O)c1cn(CN2CCc3ccc([N+](=O)[O-])cc32)nn1	ZINC000057101349	664426619	/nfs/dbraw/zinc/42/66/19/664426619.db2.gz	QEVHMVWSTJNUOK-UHFFFAOYSA-N	0	0	303.278	0.993	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)NCc1cccc2c1OCCO2	ZINC000731423334	664861666	/nfs/dbraw/zinc/86/16/66/664861666.db2.gz	MQHSFZJBIICWAF-UHFFFAOYSA-N	0	0	319.277	0.274	10	5		DCBERN
CC[S@](=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000733898819	666824701	/nfs/dbraw/zinc/82/47/01/666824701.db2.gz	TWOJGVPQFQXXAI-IBGZPJMESA-N	0	0	320.392	0.950	10	5		DCBERN
CC[S@@](=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000733895963	666826932	/nfs/dbraw/zinc/82/69/32/666826932.db2.gz	RSGOGCLXQFHNND-LJQANCHMSA-N	0	0	321.380	0.423	10	5		DCBERN
CC[S@](=O)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000733967813	666833216	/nfs/dbraw/zinc/83/32/16/666833216.db2.gz	YUPLXWWFLLZECL-QFIPXVFZSA-N	0	0	324.362	0.829	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C(F)F)C2)n1	ZINC000194174030	670408383	/nfs/dbraw/zinc/40/83/83/670408383.db2.gz	TVHLSBNROKCENY-MRVPVSSYSA-N	0	0	304.253	0.917	10	5		DCBERN
O=C(N[C@H]1CCC[C@@H]1O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000132343977	1177522923	/nfs/dbraw/zinc/52/29/23/1177522923.db2.gz	VKBULUSUDQOKCC-GWCFXTLKSA-N	0	0	317.305	0.819	10	5		DCBERN
O=[N+]([O-])c1cnc(N2C[C@H](CO)[C@H](O)C2)c(Br)c1	ZINC000317454763	1190422242	/nfs/dbraw/zinc/42/22/42/1190422242.db2.gz	OBCSCRXOUOCIBS-HZGVNTEJSA-N	0	0	318.127	0.542	10	5		DCBERN
C[C@H](CS(C)(=O)=O)NC(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000714042499	941413495	/nfs/dbraw/zinc/41/34/95/941413495.db2.gz	XSQUIJLOCUXVEV-SSDOTTSWSA-N	0	0	304.299	0.897	10	5		DCBERN
Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCNC(=O)C1	ZINC000283131423	282553070	/nfs/dbraw/zinc/55/30/70/282553070.db2.gz	KXDPJBSFHTWFBR-UHFFFAOYSA-N	0	0	302.294	0.327	10	5		DCBERN
O=c1c2nnc3ncnn3c2ccn1-c1ccc([N+](=O)[O-])cc1	ZINC000072452197	191170758	/nfs/dbraw/zinc/17/07/58/191170758.db2.gz	QXHSHZZHBSXCOV-UHFFFAOYSA-N	0	0	309.245	0.732	10	5		DCBERN
COCCNC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000005743208	181280052	/nfs/dbraw/zinc/28/00/52/181280052.db2.gz	NESKDGXVNFYXSM-UHFFFAOYSA-N	0	0	321.289	0.344	10	5		DCBERN
CC[C@H](NC(=O)Cn1ncn(C)c1=O)c1cccc([N+](=O)[O-])c1	ZINC000179537504	199052513	/nfs/dbraw/zinc/05/25/13/199052513.db2.gz	RRZMFGPMWMHEBQ-LBPRGKRZSA-N	0	0	319.321	0.758	10	5		DCBERN
CNC(=O)CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000159389974	291234721	/nfs/dbraw/zinc/23/47/21/291234721.db2.gz	AHQYJSXNPHYYKA-UHFFFAOYSA-N	0	0	321.380	0.803	10	5		DCBERN
NS(=O)(=O)c1cc(NC[C@H]2CCC[C@@H]2O)cc([N+](=O)[O-])c1	ZINC000266185404	205167733	/nfs/dbraw/zinc/16/77/33/205167733.db2.gz	AMMPIPMGMALAAI-PELKAZGASA-N	0	0	315.351	0.815	10	5		DCBERN
COc1ccc(C(=O)NCc2nnc(N)s2)cc1[N+](=O)[O-]	ZINC000020201496	182196799	/nfs/dbraw/zinc/19/67/99/182196799.db2.gz	NOYIEZORFIKBIN-UHFFFAOYSA-N	0	0	309.307	0.967	10	5		DCBERN
O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000021026873	182262111	/nfs/dbraw/zinc/26/21/11/182262111.db2.gz	VDUIDQIKBFRNGQ-UHFFFAOYSA-N	0	0	310.653	0.877	10	5		DCBERN
O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[C@](O)(C(F)(F)F)C1	ZINC000185717366	296283451	/nfs/dbraw/zinc/28/34/51/296283451.db2.gz	LBYFKHCOIWOTJC-SNVBAGLBSA-N	0	0	321.211	0.835	10	5		DCBERN
COC[C@](C)(NC(=O)Cn1cnc([N+](=O)[O-])n1)C(F)(F)F	ZINC000362202034	262008795	/nfs/dbraw/zinc/00/87/95/262008795.db2.gz	HONVQHMUIMWGNZ-QMMMGPOBSA-N	0	0	311.220	0.270	10	5		DCBERN
CC[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000035610409	395721210	/nfs/dbraw/zinc/72/12/10/395721210.db2.gz	MYGGNJMXQJHSGR-QMMMGPOBSA-N	0	0	304.324	0.653	10	5		DCBERN
Cc1nn(C)c(C(=O)N2CCN3CCCC[C@H]3C2)c1[N+](=O)[O-]	ZINC000195048469	395814489	/nfs/dbraw/zinc/81/44/89/395814489.db2.gz	SQPSQCSCNDTSKS-NSHDSACASA-N	0	0	307.354	0.947	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1CO	ZINC000048864987	395823520	/nfs/dbraw/zinc/82/35/20/395823520.db2.gz	BQASUJMQQXJXNE-SNVBAGLBSA-N	0	0	316.335	0.749	10	5		DCBERN
NC(=O)c1ccc(N[C@@H]2CCc3ncnn3C2)c([N+](=O)[O-])c1	ZINC000108947802	395795168	/nfs/dbraw/zinc/79/51/68/395795168.db2.gz	BXGSRUKQJGYMBC-SECBINFHSA-N	0	0	302.294	0.712	10	5		DCBERN
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(S(N)(=O)=O)CC1	ZINC000055273596	395915515	/nfs/dbraw/zinc/91/55/15/395915515.db2.gz	RHRWUSOLWQHUCX-JTQLQIEISA-N	0	0	314.367	0.477	10	5		DCBERN
COC(=O)c1cnc(N[C@@H](C)Cn2cncn2)c([N+](=O)[O-])c1	ZINC000276505944	396004818	/nfs/dbraw/zinc/00/48/18/396004818.db2.gz	DCDWQMDPZAKUQJ-QMMMGPOBSA-N	0	0	306.282	0.869	10	5		DCBERN
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c1	ZINC000185793245	396335362	/nfs/dbraw/zinc/33/53/62/396335362.db2.gz	AMEHQWSDFQAZLP-VIFPVBQESA-N	0	0	323.334	0.480	10	5		DCBERN
CO[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C	ZINC000187664588	396372394	/nfs/dbraw/zinc/37/23/94/396372394.db2.gz	JEWLGCAODYDAAE-JQWIXIFHSA-N	0	0	311.342	0.858	10	5		DCBERN
Cc1nn(C)c(C(=O)N2CC(NC(=O)C3CCC3)C2)c1[N+](=O)[O-]	ZINC000188566163	396383693	/nfs/dbraw/zinc/38/36/93/396383693.db2.gz	LQCMIBDJSCBVMM-UHFFFAOYSA-N	0	0	321.337	0.377	10	5		DCBERN
CCC[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)OCC	ZINC000580154383	396489921	/nfs/dbraw/zinc/48/99/21/396489921.db2.gz	QLYAWRAMDBUVFB-SECBINFHSA-N	0	0	313.314	0.282	10	5		DCBERN
CCN1CC[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1=O	ZINC000619801605	397194774	/nfs/dbraw/zinc/19/47/74/397194774.db2.gz	HWHUIEIMEJRKHD-NSHDSACASA-N	0	0	320.349	0.768	10	5		DCBERN
COC[C@](C)(CO)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C	ZINC000613534922	397275876	/nfs/dbraw/zinc/27/58/76/397275876.db2.gz	XYXIBBGIJLJTFO-ZDUSSCGKSA-N	0	0	314.342	0.312	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNC(=O)CC1	ZINC000014098013	292294082	/nfs/dbraw/zinc/29/40/82/292294082.db2.gz	YLEPDGQZFADDHZ-UHFFFAOYSA-N	0	0	313.335	0.414	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCNC(=O)CC1	ZINC000054547278	158022011	/nfs/dbraw/zinc/02/20/11/158022011.db2.gz	NGASKFGSMBHKAZ-UHFFFAOYSA-N	0	0	308.250	0.465	10	5		DCBERN
C[C@@](O)(CO)CNc1ncc(Br)cc1[N+](=O)[O-]	ZINC000090283777	158103865	/nfs/dbraw/zinc/10/38/65/158103865.db2.gz	FCIPMMRETMAGQO-VIFPVBQESA-N	0	0	306.116	0.908	10	5		DCBERN
O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CCN1CC2	ZINC000090698623	158104555	/nfs/dbraw/zinc/10/45/55/158104555.db2.gz	IWGZALVZXVCNPL-CQSZACIVSA-N	0	0	304.350	0.253	10	5		DCBERN
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCNC[C@H]1C(F)F	ZINC000367479873	159340613	/nfs/dbraw/zinc/34/06/13/159340613.db2.gz	FVPPKHXIIYFZOX-VIFPVBQESA-N	0	0	321.305	0.822	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN2CCOC[C@H]2C1	ZINC000374960683	159762677	/nfs/dbraw/zinc/76/26/77/159762677.db2.gz	DFTQKGVLSRAPLL-GFCCVEGCSA-N	0	0	323.353	0.033	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)n1	ZINC000408376998	160095223	/nfs/dbraw/zinc/09/52/23/160095223.db2.gz	YVHCUTXLPQFGAG-KOLCDFICSA-N	0	0	322.321	0.539	10	5		DCBERN
COc1cc(C(=O)N[C@H]2CCc3ncnn3C2)ccc1[N+](=O)[O-]	ZINC000112657252	415711475	/nfs/dbraw/zinc/71/14/75/415711475.db2.gz	PIGSEJKTKACXDN-JTQLQIEISA-N	0	0	317.305	0.940	10	5		DCBERN
O=C(N[C@@H]1CCC(=O)NC1=O)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000129392365	415905690	/nfs/dbraw/zinc/90/56/90/415905690.db2.gz	WJZJWEGHMHENFZ-MRVPVSSYSA-N	0	0	311.681	0.783	10	5		DCBERN
O=[N+]([O-])c1cnn(CCN2CCN(c3cccnn3)CC2)c1	ZINC000174840362	416088414	/nfs/dbraw/zinc/08/84/14/416088414.db2.gz	KGMXVTLILPKEGL-UHFFFAOYSA-N	0	0	303.326	0.404	10	5		DCBERN
CC[C@H](NC(=O)CS(=O)(=O)NC)c1cccc([N+](=O)[O-])c1	ZINC000175225299	416100529	/nfs/dbraw/zinc/10/05/29/416100529.db2.gz	ZBDGMQYDUYZNNR-NSHDSACASA-N	0	0	315.351	0.711	10	5		DCBERN
NS(=O)(=O)c1cccc(NC[C@@H](CO)C2CC2)c1[N+](=O)[O-]	ZINC000357813655	416137110	/nfs/dbraw/zinc/13/71/10/416137110.db2.gz	UAJLELBOWFXBRF-VIFPVBQESA-N	0	0	315.351	0.673	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@H]1c1nc[nH]n1	ZINC000179344059	416184614	/nfs/dbraw/zinc/18/46/14/416184614.db2.gz	SPARMJXUXXVJSB-JTQLQIEISA-N	0	0	319.325	0.972	10	5		DCBERN
Cn1cc([C@H]2CNCCN2C(=O)c2ccc([N+](=O)[O-])o2)cn1	ZINC000181345923	416206602	/nfs/dbraw/zinc/20/66/02/416206602.db2.gz	WIZBAHYLUSCGHQ-SNVBAGLBSA-N	0	0	305.294	0.708	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2CC(=O)OC)n1	ZINC000191680752	416289016	/nfs/dbraw/zinc/28/90/16/416289016.db2.gz	JHTPVWPGCOCYLB-VIFPVBQESA-N	0	0	310.310	0.979	10	5		DCBERN
Cn1ccc(CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)n1	ZINC000535018204	416513075	/nfs/dbraw/zinc/51/30/75/416513075.db2.gz	ZVAQJBNCLFLQMU-UHFFFAOYSA-N	0	0	311.323	0.588	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCO[C@@]4(CCOC4)C3)nn21	ZINC000362362946	416566696	/nfs/dbraw/zinc/56/66/96/416566696.db2.gz	XEZCFEKLRHHZMM-YGRLFVJLSA-N	0	0	319.321	1.388	10	5		DCBERN
CO[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCO1	ZINC000615297232	416808698	/nfs/dbraw/zinc/80/86/98/416808698.db2.gz	XUEUXPKTKXTDNS-LBPRGKRZSA-N	0	0	316.335	0.729	10	5		DCBERN
CC(C)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccnn1C	ZINC000616014535	416954129	/nfs/dbraw/zinc/95/41/29/416954129.db2.gz	QOYKQEAZGDTQJA-SNVBAGLBSA-N	0	0	321.341	0.476	10	5		DCBERN
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1N1CCOCC1	ZINC000173858660	278414366	/nfs/dbraw/zinc/41/43/66/278414366.db2.gz	OIRVCLWQNJWDBR-QWRGUYRKSA-N	0	0	309.322	0.981	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@]3(CCO[C@@H]3C)C2)n1	ZINC000548092829	288110970	/nfs/dbraw/zinc/11/09/70/288110970.db2.gz	OZKGBVIBBVROPB-YGRLFVJLSA-N	0	0	324.337	0.831	10	5		DCBERN
CN(CC1CC(O)C1)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	ZINC000276001479	289559388	/nfs/dbraw/zinc/55/93/88/289559388.db2.gz	HCXWVWBAANHVQY-UHFFFAOYSA-N	0	0	315.351	0.449	10	5		DCBERN
Cn1cc(NC(=O)c2csc([N+](=O)[O-])c2)c(=O)n(C)c1=O	ZINC000172594277	341801276	/nfs/dbraw/zinc/80/12/76/341801276.db2.gz	UKCVFTZNOMEVFF-UHFFFAOYSA-N	0	0	310.291	0.306	10	5		DCBERN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCOCC(N)=O	ZINC000183226950	518414979	/nfs/dbraw/zinc/41/49/79/518414979.db2.gz	SAMBVLGPSRWWBE-NTMALXAHSA-N	0	0	307.306	0.616	10	5		DCBERN
CC(=O)NC1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1	ZINC000188555797	519649289	/nfs/dbraw/zinc/64/92/89/519649289.db2.gz	ZLJIAMAXRCIRFJ-UHFFFAOYSA-N	0	0	313.335	0.412	10	5		DCBERN
CCc1nnc([C@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)CCO2)[nH]1	ZINC000131643432	522140524	/nfs/dbraw/zinc/14/05/24/522140524.db2.gz	XLTSRJZXIAFRCY-MRVPVSSYSA-N	0	0	320.313	0.225	10	5		DCBERN
Cc1cc(C)c(S(=O)(=O)N2CC(CO)C2)cc1[N+](=O)[O-]	ZINC000192139617	524316109	/nfs/dbraw/zinc/31/61/09/524316109.db2.gz	ALXKSAAWXMJPSP-UHFFFAOYSA-N	0	0	300.336	0.824	10	5		DCBERN
C[C@@H](O)CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1	ZINC000128478496	525769448	/nfs/dbraw/zinc/76/94/48/525769448.db2.gz	ZGVWUQJFINYXTA-LLVKDONJSA-N	0	0	323.349	0.932	10	5		DCBERN
O=C(N[C@@H]1CCC(=O)NC1=O)c1cc(Cl)cc([N+](=O)[O-])c1	ZINC000155339847	526883920	/nfs/dbraw/zinc/88/39/20/526883920.db2.gz	COJNJKCARSFQNS-SECBINFHSA-N	0	0	311.681	0.783	10	5		DCBERN
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191579295	529370698	/nfs/dbraw/zinc/37/06/98/529370698.db2.gz	DXNATRBZWHZUSO-BDAKNGLRSA-N	0	0	311.342	0.844	10	5		DCBERN
COCCO[C@H]1C[C@H](CO)CN(c2ccc([N+](=O)[O-])nc2)C1	ZINC000447672690	536592032	/nfs/dbraw/zinc/59/20/32/536592032.db2.gz	QZIUWHZKXULVPP-AAEUAGOBSA-N	0	0	311.338	0.840	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]c3c2C[NH2+]CC3)cc1	ZINC000170270507	664575467	/nfs/dbraw/zinc/57/54/67/664575467.db2.gz	PFUSLTANIKJWJS-UHFFFAOYSA-N	0	0	323.334	0.764	10	5		DCBERN
CC[S@](=O)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1	ZINC000733958782	666831742	/nfs/dbraw/zinc/83/17/42/666831742.db2.gz	CFYIQSSVPXWACN-NRFANRHFSA-N	0	0	318.326	0.998	10	5		DCBERN
Cc1cnn(C[C@H]2CN(Cn3cc([N+](=O)[O-])cn3)CCO2)c1	ZINC000112072056	670539204	/nfs/dbraw/zinc/53/92/04/670539204.db2.gz	IIQGEGQMOBSXPI-CYBMUJFWSA-N	0	0	306.326	0.655	10	5		DCBERN
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCC[C@@H]1O	ZINC000133735112	1177529271	/nfs/dbraw/zinc/52/92/71/1177529271.db2.gz	LJHHEAVVABARLL-RYUDHWBXSA-N	0	0	307.306	0.354	10	5		DCBERN
O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000090014830	185278083	/nfs/dbraw/zinc/27/80/83/185278083.db2.gz	RMPKQDPOQMFFEC-MRVPVSSYSA-N	0	0	311.681	0.783	10	5		DCBERN
CNC(=O)[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(C)C	ZINC000178588659	529920575	/nfs/dbraw/zinc/92/05/75/529920575.db2.gz	TWENWKRMGYNLMY-LLVKDONJSA-N	0	0	312.301	0.817	10	5		DCBERN
O=C(N[C@H]1CCCN(c2ncccn2)C1)c1[nH]ncc1[N+](=O)[O-]	ZINC000179537572	199052557	/nfs/dbraw/zinc/05/25/57/199052557.db2.gz	DUNCMXGXMWDXMM-VIFPVBQESA-N	0	0	317.309	0.507	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2C(=O)NC2CC2)n1	ZINC000191498759	237452236	/nfs/dbraw/zinc/45/22/36/237452236.db2.gz	VDTYBXFYBNWESS-JTQLQIEISA-N	0	0	321.337	0.694	10	5		DCBERN
NC(=O)[C@@H]1COCCN1C(=O)CCc1cccc([N+](=O)[O-])c1	ZINC000091781342	193107111	/nfs/dbraw/zinc/10/71/11/193107111.db2.gz	WPFYZVHKEJCWQT-LBPRGKRZSA-N	0	0	307.306	0.240	10	5		DCBERN
CCc1nn(C)c(N2CC[C@@H](NS(C)(=O)=O)C2)c1[N+](=O)[O-]	ZINC000288281113	220059906	/nfs/dbraw/zinc/05/99/06/220059906.db2.gz	BDKAPQCSWQXCOE-MRVPVSSYSA-N	0	0	317.371	0.019	10	5		DCBERN
CN1CCO[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1	ZINC000104784216	194039780	/nfs/dbraw/zinc/03/97/80/194039780.db2.gz	GYIXXNFQZJLLNM-LBPRGKRZSA-N	0	0	308.338	0.725	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](CO)C1	ZINC000051886044	183840924	/nfs/dbraw/zinc/84/09/24/183840924.db2.gz	DWSFGBLDSPWJNB-VIFPVBQESA-N	0	0	316.335	0.606	10	5		DCBERN
CC(=O)c1ccc(OC[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])c1	ZINC000339326286	253064400	/nfs/dbraw/zinc/06/44/00/253064400.db2.gz	VJIRNXWIIHOFCF-ZDUSSCGKSA-N	0	0	324.333	0.869	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(N3CCO[C@]4(CCOC4)C3)nn21	ZINC000302225363	285185293	/nfs/dbraw/zinc/18/52/93/285185293.db2.gz	RIHQUVJMJDWXTB-CYBMUJFWSA-N	0	0	305.294	0.633	10	5		DCBERN
CN1CCO[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000194723864	395805864	/nfs/dbraw/zinc/80/58/64/395805864.db2.gz	YHCORCBUEIVMKN-ZDUSSCGKSA-N	0	0	309.322	0.420	10	5		DCBERN
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(S(N)(=O)=O)CC1	ZINC000055273598	395915662	/nfs/dbraw/zinc/91/56/62/395915662.db2.gz	RHRWUSOLWQHUCX-SNVBAGLBSA-N	0	0	314.367	0.477	10	5		DCBERN
Cc1c(C(=O)NC[C@H](O)CN2CCOCC2)cccc1[N+](=O)[O-]	ZINC000154115953	396031633	/nfs/dbraw/zinc/03/16/33/396031633.db2.gz	WJUXLLHVBBHDLB-LBPRGKRZSA-N	0	0	323.349	0.326	10	5		DCBERN
COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CN(C)CCO2)c1	ZINC000171286184	396112722	/nfs/dbraw/zinc/11/27/22/396112722.db2.gz	VYFFNSWTXJZMHC-NSHDSACASA-N	0	0	309.322	0.664	10	5		DCBERN
CN1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC000171289098	396112843	/nfs/dbraw/zinc/11/28/43/396112843.db2.gz	JGKBTELJQDCKEZ-GFCCVEGCSA-N	0	0	324.293	0.563	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1CN1CCN2C(=O)C(=O)NC[C@H]2C1	ZINC000183391256	396269260	/nfs/dbraw/zinc/26/92/60/396269260.db2.gz	GHAOXGALTBBTAI-ZDUSSCGKSA-N	0	0	318.333	0.046	10	5		DCBERN
CN1C(=O)CN(c2ccc3ncccc3c2[N+](=O)[O-])CC1=O	ZINC000184294232	396290034	/nfs/dbraw/zinc/29/00/34/396290034.db2.gz	QEJNWZHVJQEWCT-UHFFFAOYSA-N	0	0	300.274	0.948	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCN(C)C(=O)C1	ZINC000189817713	396399998	/nfs/dbraw/zinc/39/99/98/396399998.db2.gz	XQSJPZPFIAKVGJ-UHFFFAOYSA-N	0	0	309.326	0.181	10	5		DCBERN
O=C1CC2(CCCCC2)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)N1	ZINC000289255982	396457505	/nfs/dbraw/zinc/45/75/05/396457505.db2.gz	CTAVMYPGVJJRJL-LBPRGKRZSA-N	0	0	323.353	0.592	10	5		DCBERN
CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-]	ZINC000596435373	396776393	/nfs/dbraw/zinc/77/63/93/396776393.db2.gz	MSHAUSXXEUHLQN-CBAPKCEASA-N	0	0	321.742	0.867	10	5		DCBERN
O=C1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN1C1CC1	ZINC000611241784	396843909	/nfs/dbraw/zinc/84/39/09/396843909.db2.gz	PCTKAWMQKLGUBA-UHFFFAOYSA-N	0	0	302.294	0.449	10	5		DCBERN
NC(=O)N[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1	ZINC000611287543	396849626	/nfs/dbraw/zinc/84/96/26/396849626.db2.gz	RDCLUYSRRIRNBQ-SNVBAGLBSA-N	0	0	322.321	0.609	10	5		DCBERN
COC[C@](C)(CO)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1	ZINC000613534905	397274854	/nfs/dbraw/zinc/27/48/54/397274854.db2.gz	XOBZPXSRXVSCLE-AWEZNQCLSA-N	0	0	312.322	0.660	10	5		DCBERN
CN1C(=O)N[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21	ZINC000408051208	397344663	/nfs/dbraw/zinc/34/46/63/397344663.db2.gz	IXOJEWCEIFIRFM-NEPJUHHUSA-N	0	0	304.306	0.833	10	5		DCBERN
CC(C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000064243780	158032884	/nfs/dbraw/zinc/03/28/84/158032884.db2.gz	WRNLIKKTIVWHSW-UHFFFAOYSA-N	0	0	321.380	0.707	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCS(C)(=O)=O	ZINC000126273353	158263584	/nfs/dbraw/zinc/26/35/84/158263584.db2.gz	FNFGQTAKWXQTAR-MRVPVSSYSA-N	0	0	315.351	0.851	10	5		DCBERN
CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000172005143	158389535	/nfs/dbraw/zinc/38/95/35/158389535.db2.gz	JOZCOICFDCZHDM-JTQLQIEISA-N	0	0	307.306	0.954	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](N2CCOCC2)C1	ZINC000172746572	158398226	/nfs/dbraw/zinc/39/82/26/158398226.db2.gz	GCMSSAPHLGYVHI-LBPRGKRZSA-N	0	0	323.353	0.033	10	5		DCBERN
CN1CCOC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000408049450	160023083	/nfs/dbraw/zinc/02/30/83/160023083.db2.gz	ZSXGCNGZQQQOCL-LBPRGKRZSA-N	0	0	323.353	0.285	10	5		DCBERN
CCn1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])n1	ZINC000408086967	160032707	/nfs/dbraw/zinc/03/27/07/160032707.db2.gz	BCNKNSUWVSYWFQ-RKDXNWHRSA-N	0	0	318.355	0.203	10	5		DCBERN
Cc1nn(C[C@@H]2CCN(S(C)(=O)=O)C2)c(C)c1[N+](=O)[O-]	ZINC000408145618	160047816	/nfs/dbraw/zinc/04/78/16/160047816.db2.gz	JICFYASNWJWETN-SNVBAGLBSA-N	0	0	302.356	0.690	10	5		DCBERN
Nc1c(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-]	ZINC000408267997	160072678	/nfs/dbraw/zinc/07/26/78/160072678.db2.gz	IANKCQFRZYHWAI-HNNXBMFYSA-N	0	0	318.333	0.919	10	5		DCBERN
O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000246850023	287088459	/nfs/dbraw/zinc/08/84/59/287088459.db2.gz	ZTWOSZPZXFQFRL-QJPTWQEYSA-N	0	0	320.305	0.103	10	5		DCBERN
COC(=O)[C@@]1(C)CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000249539827	287112972	/nfs/dbraw/zinc/11/29/72/287112972.db2.gz	DPSJLWOUBZLUPA-DGCLKSJQSA-N	0	0	312.326	0.180	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(NCc3nnnn3C3CC3)nn21	ZINC000611241158	412430446	/nfs/dbraw/zinc/43/04/46/412430446.db2.gz	LDLFSUOXVXNULF-UHFFFAOYSA-N	0	0	301.270	0.571	10	5		DCBERN
CC(=O)N[C@@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C1	ZINC000128040372	415895417	/nfs/dbraw/zinc/89/54/17/415895417.db2.gz	UOKLTILUZFXTCB-GFCCVEGCSA-N	0	0	323.353	0.617	10	5		DCBERN
CC(C)Cn1ccnc1CNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000173029154	416051303	/nfs/dbraw/zinc/05/13/03/416051303.db2.gz	YTFFQLOUAGGBHK-UHFFFAOYSA-N	0	0	306.326	0.960	10	5		DCBERN
Nc1c(C(=O)NC[C@@H]2CN(C3CC3)CCO2)cccc1[N+](=O)[O-]	ZINC000176705170	416133593	/nfs/dbraw/zinc/13/35/93/416133593.db2.gz	ZXHZXEXMROBPSQ-LLVKDONJSA-N	0	0	320.349	0.770	10	5		DCBERN
O=C(NC[C@H]1CN(C2CC2)CCO1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000179500482	416188128	/nfs/dbraw/zinc/18/81/28/416188128.db2.gz	GIGSXXBMQDDVAL-LBPRGKRZSA-N	0	0	321.333	0.893	10	5		DCBERN
CN(C)c1ncccc1CNC(=O)c1cc([N+](=O)[O-])cnc1N	ZINC000180529309	416196913	/nfs/dbraw/zinc/19/69/13/416196913.db2.gz	AUJZPXYTGDETNR-UHFFFAOYSA-N	0	0	316.321	0.963	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1c1nc[nH]n1	ZINC000181400189	416206161	/nfs/dbraw/zinc/20/61/61/416206161.db2.gz	WKSOAMRGAIVSIJ-JTQLQIEISA-N	0	0	305.298	0.663	10	5		DCBERN
CNC(=O)[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C	ZINC000183644395	416248685	/nfs/dbraw/zinc/24/86/85/416248685.db2.gz	RCCGZYKHMYWDEX-CYBMUJFWSA-N	0	0	308.338	0.894	10	5		DCBERN
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000358702621	416270894	/nfs/dbraw/zinc/27/08/94/416270894.db2.gz	VWBPBDADFYYVMX-JTQLQIEISA-N	0	0	319.325	0.890	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)n1	ZINC000191498749	416286502	/nfs/dbraw/zinc/28/65/02/416286502.db2.gz	VDTYBXFYBNWESS-SNVBAGLBSA-N	0	0	321.337	0.694	10	5		DCBERN
COCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CC[C@H](C)C1	ZINC000361247735	416427682	/nfs/dbraw/zinc/42/76/82/416427682.db2.gz	ZAHOLOBDFHTMCG-WDEREUQCSA-N	0	0	311.342	0.850	10	5		DCBERN
Cc1cc(NC(=O)NC[C@@H](O)Cn2ccnn2)ccc1[N+](=O)[O-]	ZINC000459480152	416543600	/nfs/dbraw/zinc/54/36/00/416543600.db2.gz	JIGWJVMRURXDOX-LLVKDONJSA-N	0	0	320.309	0.677	10	5		DCBERN
CN1CCOC[C@H]1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000540959703	416600935	/nfs/dbraw/zinc/60/09/35/416600935.db2.gz	QVKGVWMHWTZOEC-AWEZNQCLSA-N	0	0	305.334	0.810	10	5		DCBERN
CCOC(=O)c1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cn1C	ZINC000440569259	416640138	/nfs/dbraw/zinc/64/01/38/416640138.db2.gz	BVNLQGFWDGTFSX-UHFFFAOYSA-N	0	0	322.281	0.340	10	5		DCBERN
O=[N+]([O-])c1cccc(OCCN2CCN3CCOC[C@H]3C2)c1	ZINC000368813738	416694839	/nfs/dbraw/zinc/69/48/39/416694839.db2.gz	KARTVOOJXURVIH-CQSZACIVSA-N	0	0	307.350	0.990	10	5		DCBERN
O=[N+]([O-])c1ccccc1OCCN1CCN2CCOC[C@H]2C1	ZINC000368823867	416695327	/nfs/dbraw/zinc/69/53/27/416695327.db2.gz	JTSAKAOYPDEGCO-CYBMUJFWSA-N	0	0	307.350	0.990	10	5		DCBERN
CCOc1ccc(C(=O)N2CC(O)(COC)C2)cc1[N+](=O)[O-]	ZINC000456073700	417625330	/nfs/dbraw/zinc/62/53/30/417625330.db2.gz	JUTGOKSAIXXLIQ-UHFFFAOYSA-N	0	0	310.306	0.827	10	5		DCBERN
CC(=O)N1CCC(CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1	ZINC000532138763	417662342	/nfs/dbraw/zinc/66/23/42/417662342.db2.gz	DYBDTLMOBQHHBO-UHFFFAOYSA-N	0	0	306.322	0.978	10	5		DCBERN
COc1cccc(C(=O)N2CCN(C[C@@H](C)O)CC2)c1[N+](=O)[O-]	ZINC000192911384	261139739	/nfs/dbraw/zinc/13/97/39/261139739.db2.gz	PQXGSEIVSJTWST-LLVKDONJSA-N	0	0	323.349	0.742	10	5		DCBERN
C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O	ZINC000230878460	261153570	/nfs/dbraw/zinc/15/35/70/261153570.db2.gz	VKUBMJDVWAVVDS-CABZTGNLSA-N	0	0	300.336	0.986	10	5		DCBERN
NS(=O)(=O)c1cc(NC[C@H](CO)C2CC2)cc([N+](=O)[O-])c1	ZINC000357829873	261590129	/nfs/dbraw/zinc/59/01/29/261590129.db2.gz	SGKQHLOCRBXHAG-SECBINFHSA-N	0	0	315.351	0.673	10	5		DCBERN
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H](CO)C1CC1	ZINC000359777687	261767106	/nfs/dbraw/zinc/76/71/06/261767106.db2.gz	JOGQTUCCFDXPGO-LBPRGKRZSA-N	0	0	321.333	0.459	10	5		DCBERN
CC(=O)N(C)c1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1	ZINC000362707754	262063146	/nfs/dbraw/zinc/06/31/46/262063146.db2.gz	JXZJZDFDKDKSEP-UHFFFAOYSA-N	0	0	318.293	0.808	10	5		DCBERN
O=C(Nc1ccncc1[N+](=O)[O-])N1CCSC[C@@H]1CCO	ZINC000359043613	271092905	/nfs/dbraw/zinc/09/29/05/271092905.db2.gz	VSFIGVGCODCEHX-VIFPVBQESA-N	0	0	312.351	0.743	10	5		DCBERN
O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc2cc[nH]c2n1	ZINC000359408443	271116915	/nfs/dbraw/zinc/11/69/15/271116915.db2.gz	CEPXZSHIJPKEDM-UHFFFAOYSA-N	0	0	300.278	0.984	10	5		DCBERN
COC(=O)c1csc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1	ZINC000531603243	272765869	/nfs/dbraw/zinc/76/58/69/272765869.db2.gz	XPJRDUWMAQJDSK-UHFFFAOYSA-N	0	0	311.279	0.673	10	5		DCBERN
Cn1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n1	ZINC000534293539	287810241	/nfs/dbraw/zinc/81/02/41/287810241.db2.gz	ICDGJPKBDQBCPA-UHFFFAOYSA-N	0	0	304.262	0.987	10	5		DCBERN
CN1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC000194392781	277052195	/nfs/dbraw/zinc/05/21/95/277052195.db2.gz	WJWXGINOSBAUNK-UHFFFAOYSA-N	0	0	305.381	0.983	10	5		DCBERN
C[C@H](O)C(=O)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1	ZINC000302076979	279556982	/nfs/dbraw/zinc/55/69/82/279556982.db2.gz	YNKRDCKQTWGPGM-JTQLQIEISA-N	0	0	309.322	0.117	10	5		DCBERN
C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCS1(=O)=O	ZINC000160762029	279883829	/nfs/dbraw/zinc/88/38/29/279883829.db2.gz	SUSYOFZFFPKEIJ-QMMMGPOBSA-N	0	0	311.323	0.261	10	5		DCBERN
CC(=O)NC(NC(C)=O)(NC(C)=O)c1cccc([N+](=O)[O-])c1	ZINC000584650573	337380770	/nfs/dbraw/zinc/38/07/70/337380770.db2.gz	TVNAEYJYKVZRFV-UHFFFAOYSA-N	0	0	308.294	0.113	10	5		DCBERN
CC(=O)NC1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000191729309	519649433	/nfs/dbraw/zinc/64/94/33/519649433.db2.gz	VTSUQWAXLIYTRY-CYBMUJFWSA-N	0	0	309.322	0.155	10	5		DCBERN
Cc1c(F)cc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000132479706	525795336	/nfs/dbraw/zinc/79/53/36/525795336.db2.gz	RSAJOZCXWJPMET-UHFFFAOYSA-N	0	0	317.342	0.978	10	5		DCBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCCC[C@@H]1CO	ZINC000161780525	526467814	/nfs/dbraw/zinc/46/78/14/526467814.db2.gz	AKUQZPXGRGLQBH-PWSUYJOCSA-N	0	0	311.342	0.642	10	5		DCBERN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(c2cccnn2)CC1	ZINC000130477387	526914420	/nfs/dbraw/zinc/91/44/20/526914420.db2.gz	HSAZXIPIJAOLRH-UHFFFAOYSA-N	0	0	303.282	0.070	10	5		DCBERN
CCS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000170809852	664591250	/nfs/dbraw/zinc/59/12/50/664591250.db2.gz	FRQOULKNOAMRHC-UHFFFAOYSA-N	0	0	301.324	0.463	10	5		DCBERN
CC[S@](=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000733898980	666824679	/nfs/dbraw/zinc/82/46/79/666824679.db2.gz	ATEDRVOZLHQVND-IBGZPJMESA-N	0	0	320.392	0.950	10	5		DCBERN
CS(=O)(=O)N[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1	ZINC000703162482	667063385	/nfs/dbraw/zinc/06/33/85/667063385.db2.gz	KKEQMYOBNKNNCC-MRVPVSSYSA-N	0	0	303.315	0.862	10	5		DCBERN
COc1cc(CN2CCS(=O)(=O)CC2)ccc1[N+](=O)[O-]	ZINC000203783068	667590752	/nfs/dbraw/zinc/59/07/52/667590752.db2.gz	OTPGDVFVXLLPSQ-UHFFFAOYSA-N	0	0	300.336	0.834	10	5		DCBERN
O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1cccc([N+](=O)[O-])c1	ZINC000126474443	668600633	/nfs/dbraw/zinc/60/06/33/668600633.db2.gz	GLBVDLWNPJUIFC-JTQLQIEISA-N	0	0	313.335	0.310	10	5		DCBERN
C[S@](=O)CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	ZINC000159112982	1180565765	/nfs/dbraw/zinc/56/57/65/1180565765.db2.gz	BALHUBIDFGSFOF-LJQANCHMSA-N	0	0	305.743	0.939	10	5		DCBERN
O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1C[C@@H](O)[C@H](CO)C1	ZINC000317650907	1190423376	/nfs/dbraw/zinc/42/33/76/1190423376.db2.gz	LPIMPWRSASKDCK-GZMMTYOYSA-N	0	0	300.698	0.673	10	5		DCBERN
CNC(=O)[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(C)C	ZINC000178852684	529918992	/nfs/dbraw/zinc/91/89/92/529918992.db2.gz	NUIWHIDIZSUWFD-CYBMUJFWSA-N	0	0	309.322	0.860	10	5		DCBERN
CNS(=O)(=O)[C@H]1CCN(c2cc(CO)ccc2[N+](=O)[O-])C1	ZINC000302067160	530024320	/nfs/dbraw/zinc/02/43/20/530024320.db2.gz	UQEHHSXOVIEDPM-JTQLQIEISA-N	0	0	315.351	0.215	10	5		DCBERN
Cc1cnn(C[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCO2)c1	ZINC000174850932	198393035	/nfs/dbraw/zinc/39/30/35/198393035.db2.gz	FVNFJFNBJNHOMQ-CQSZACIVSA-N	0	0	320.353	0.697	10	5		DCBERN
O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1[nH]ncc1[N+](=O)[O-]	ZINC000179537587	199052664	/nfs/dbraw/zinc/05/26/64/199052664.db2.gz	DUNCMXGXMWDXMM-SECBINFHSA-N	0	0	317.309	0.507	10	5		DCBERN
Nc1c(C(=O)NCCCn2ccnn2)cc(F)cc1[N+](=O)[O-]	ZINC000184989726	237294428	/nfs/dbraw/zinc/29/44/28/237294428.db2.gz	PZGJVOPWVSKHIE-UHFFFAOYSA-N	0	0	308.273	0.728	10	5		DCBERN
CN1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1=O	ZINC000160087357	291237547	/nfs/dbraw/zinc/23/75/47/291237547.db2.gz	OMEJIXDJLWCUMV-SSDOTTSWSA-N	0	0	319.364	0.555	10	5		DCBERN
C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000106889241	296262687	/nfs/dbraw/zinc/26/26/87/296262687.db2.gz	IWXIFEDBFASEME-ZCFIWIBFSA-N	0	0	305.337	0.165	10	5		DCBERN
O=[N+]([O-])c1ccc(N2CCN3CCOC[C@@H]3C2)c2nonc21	ZINC000364888020	285126305	/nfs/dbraw/zinc/12/63/05/285126305.db2.gz	XVOCXIKZKDXNRF-VIFPVBQESA-N	0	0	305.294	0.652	10	5		DCBERN
C[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000106382275	395783029	/nfs/dbraw/zinc/78/30/29/395783029.db2.gz	QURSGHQPKUXLAD-LQWYWTJKSA-N	0	0	319.697	0.455	10	5		DCBERN
CS(=O)(=O)N[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1	ZINC000116872953	395847957	/nfs/dbraw/zinc/84/79/57/395847957.db2.gz	SFSGVQADSFINNR-VIFPVBQESA-N	0	0	303.315	0.862	10	5		DCBERN
CNC(=O)c1ccc(N2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1	ZINC000274354893	395941544	/nfs/dbraw/zinc/94/15/44/395941544.db2.gz	BWABRTUSUHANBF-HNNXBMFYSA-N	0	0	321.333	0.950	10	5		DCBERN
C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)N1CCCCC1	ZINC000068430455	396055449	/nfs/dbraw/zinc/05/54/49/396055449.db2.gz	QESJGVCCPQMRHK-NSHDSACASA-N	0	0	323.353	0.699	10	5		DCBERN
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000249510423	396009178	/nfs/dbraw/zinc/00/91/78/396009178.db2.gz	ZRZQAXJQZVFZFZ-LAEOZQHASA-N	0	0	308.294	0.732	10	5		DCBERN
O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@]1(CCO)CCOC1	ZINC000152474627	396010537	/nfs/dbraw/zinc/01/05/37/396010537.db2.gz	HSCZGFPEPHPQCT-OAHLLOKOSA-N	0	0	323.349	0.912	10	5		DCBERN
C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000175749537	396141259	/nfs/dbraw/zinc/14/12/59/396141259.db2.gz	OCVPFFQFABDHHF-VIFPVBQESA-N	0	0	312.326	0.980	10	5		DCBERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](O)C1CC1	ZINC000071304967	396112453	/nfs/dbraw/zinc/11/24/53/396112453.db2.gz	QPGGNQXEQVHOLG-SNVBAGLBSA-N	0	0	316.335	0.653	10	5		DCBERN
CC(C)C[C@@H](CO)N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000186658158	396354907	/nfs/dbraw/zinc/35/49/07/396354907.db2.gz	UVCOGSHZPLEVTI-LBPRGKRZSA-N	0	0	311.338	0.622	10	5		DCBERN
COc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(C)C(=O)C2)c1	ZINC000190636915	396408838	/nfs/dbraw/zinc/40/88/38/396408838.db2.gz	QAJOLCZQZACGMI-UHFFFAOYSA-N	0	0	307.306	0.908	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(CC)C(=O)C2(C)C)n1	ZINC000191717935	396423428	/nfs/dbraw/zinc/42/34/28/396423428.db2.gz	SFMQTZRVGZJVHF-UHFFFAOYSA-N	0	0	323.353	0.894	10	5		DCBERN
O=C1CC2(CCCCC2)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)N1	ZINC000289255980	396457610	/nfs/dbraw/zinc/45/76/10/396457610.db2.gz	CTAVMYPGVJJRJL-GFCCVEGCSA-N	0	0	323.353	0.592	10	5		DCBERN
O=C(Cc1ccccc1[N+](=O)[O-])N1CCN2CCOC[C@H]2C1	ZINC000374935795	396699579	/nfs/dbraw/zinc/69/95/79/396699579.db2.gz	ZQXWBJYIKHZEEN-CYBMUJFWSA-N	0	0	305.334	0.680	10	5		DCBERN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN1S(C)(=O)=O	ZINC000596477050	396783626	/nfs/dbraw/zinc/78/36/26/396783626.db2.gz	AUEBEGOQLYGHBP-SECBINFHSA-N	0	0	300.340	0.460	10	5		DCBERN
CCOc1cccc(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)n1	ZINC000610760470	396760187	/nfs/dbraw/zinc/76/01/87/396760187.db2.gz	MLTJWOWSWMSKCI-UHFFFAOYSA-N	0	0	319.321	0.944	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H](C[C@H]2CCOC2)C1	ZINC000611355995	396857066	/nfs/dbraw/zinc/85/70/66/396857066.db2.gz	OMNAIBRCQQFRQB-VXGBXAGGSA-N	0	0	323.353	0.852	10	5		DCBERN
COC(=O)[C@@H]1CCCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000611577432	396889256	/nfs/dbraw/zinc/88/92/56/396889256.db2.gz	BWUBHHDTUTXJRN-VIFPVBQESA-N	0	0	311.298	0.131	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCc2cc(O)ccc2C1	ZINC000618250328	396941192	/nfs/dbraw/zinc/94/11/92/396941192.db2.gz	WSDPEMNAABBBCS-LLVKDONJSA-N	0	0	317.305	0.566	10	5		DCBERN
Cn1cc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)nn1	ZINC000611935476	396951416	/nfs/dbraw/zinc/95/14/16/396951416.db2.gz	SRBWZELWZMLXDE-UHFFFAOYSA-N	0	0	311.323	0.343	10	5		DCBERN
CCN1CC[C@@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1=O	ZINC000619801625	397194974	/nfs/dbraw/zinc/19/49/74/397194974.db2.gz	IOSRXBWTVNTWHW-LLVKDONJSA-N	0	0	321.333	0.883	10	5		DCBERN
CCN1CC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1=O	ZINC000619824923	397198095	/nfs/dbraw/zinc/19/80/95/397198095.db2.gz	CJGRBVHIUDEMDB-LLVKDONJSA-N	0	0	306.322	0.744	10	5		DCBERN
CN(C)c1nc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)cs1	ZINC000610466894	397822855	/nfs/dbraw/zinc/82/28/55/397822855.db2.gz	UIENREFRIMTSOY-UHFFFAOYSA-N	0	0	311.327	0.025	10	5		DCBERN
C[C@@](O)(CO)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000090287830	158102930	/nfs/dbraw/zinc/10/29/30/158102930.db2.gz	MTUWVALXMDURJP-NSHDSACASA-N	0	0	304.324	0.154	10	5		DCBERN
CCCc1n[nH]c(C(=O)N[C@H]2CCc3ncnn3C2)c1[N+](=O)[O-]	ZINC000112725239	158143577	/nfs/dbraw/zinc/14/35/77/158143577.db2.gz	XEOZXQKKTJXOGE-QMMMGPOBSA-N	0	0	319.325	0.607	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN(C2CC2)CCO1	ZINC000127481913	158274757	/nfs/dbraw/zinc/27/47/57/158274757.db2.gz	ZDPNBBMYMYZPCT-CYBMUJFWSA-N	0	0	320.349	0.891	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000177981829	158452668	/nfs/dbraw/zinc/45/26/68/158452668.db2.gz	KNCLJUQVMNJYNM-SMDDNHRTSA-N	0	0	308.338	0.945	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC(=O)NC(C)(C)C)n1	ZINC000191474627	158568639	/nfs/dbraw/zinc/56/86/39/158568639.db2.gz	AZIRWWZLTLTILK-UHFFFAOYSA-N	0	0	311.342	0.798	10	5		DCBERN
CN1CCO[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]21	ZINC000408290330	160077614	/nfs/dbraw/zinc/07/76/14/160077614.db2.gz	OMWLWPDARKXCAC-CHWSQXEVSA-N	0	0	309.297	0.889	10	5		DCBERN
CN1CCO[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@H]21	ZINC000408296640	160079010	/nfs/dbraw/zinc/07/90/10/160079010.db2.gz	FNGUJCWBXMLHIE-VXGBXAGGSA-N	0	0	324.312	0.471	10	5		DCBERN
CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@]2(CCOC2)O1	ZINC000408326013	160085237	/nfs/dbraw/zinc/08/52/37/160085237.db2.gz	HUWGCFFVVGJXND-IINYFYTJSA-N	0	0	324.337	0.738	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)S(=O)[C@H](C)C2)n1	ZINC000408370449	160093776	/nfs/dbraw/zinc/09/37/76/160093776.db2.gz	LBPDPZUKDHFJFQ-RKDXNWHRSA-N	0	0	314.367	0.793	10	5		DCBERN
O=C([C@@H]1CNC(=O)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000194769408	287062449	/nfs/dbraw/zinc/06/24/49/287062449.db2.gz	QAJPTUBHHKVMHP-NSHDSACASA-N	0	0	318.333	0.380	10	5		DCBERN
Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1[N+](=O)[O-]	ZINC000266161060	287129762	/nfs/dbraw/zinc/12/97/62/287129762.db2.gz	ITKBYEMCKITHPR-KOLCDFICSA-N	0	0	323.353	0.419	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCSc2ncccc21	ZINC000358787871	287213223	/nfs/dbraw/zinc/21/32/23/287213223.db2.gz	FCQBXSVIZXNPCV-UHFFFAOYSA-N	0	0	306.307	0.720	10	5		DCBERN
NC(=O)[C@@H]1COCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1	ZINC000091782875	415538223	/nfs/dbraw/zinc/53/82/23/415538223.db2.gz	IVSXCIDTNCQCSC-JTQLQIEISA-N	0	0	313.697	0.575	10	5		DCBERN
O=[N+]([O-])c1ccc2nc(S(=O)(=O)C3CC[NH2+]CC3)[n-]c2c1	ZINC000095092096	415550251	/nfs/dbraw/zinc/55/02/51/415550251.db2.gz	HDLBMELXASHADJ-UHFFFAOYSA-N	0	0	310.335	0.997	10	5		DCBERN
Cc1c(NC(=O)C(=O)N2CCC[C@@H]2CO)cccc1[N+](=O)[O-]	ZINC000121232062	415796136	/nfs/dbraw/zinc/79/61/36/415796136.db2.gz	WXHPWLPVRWXXBN-SNVBAGLBSA-N	0	0	307.306	0.825	10	5		DCBERN
COC1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1	ZINC000358118115	416195461	/nfs/dbraw/zinc/19/54/61/416195461.db2.gz	ILNFIIVXMPBPLN-JTQLQIEISA-N	0	0	323.305	0.650	10	5		DCBERN
CCNC(=O)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C1	ZINC000178134706	416157825	/nfs/dbraw/zinc/15/78/25/416157825.db2.gz	SKJHOIQQEWQVFM-UHFFFAOYSA-N	0	0	307.306	0.812	10	5		DCBERN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H]1CN2CCN1CC2	ZINC000178621750	416165771	/nfs/dbraw/zinc/16/57/71/416165771.db2.gz	PCKKJEMAIMCEBI-MBVDDHJVSA-N	0	0	316.361	0.724	10	5		DCBERN
Cc1cnc(COc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])nc1	ZINC000361072165	416419994	/nfs/dbraw/zinc/41/99/94/416419994.db2.gz	FFZFICOYIVNVAM-UHFFFAOYSA-N	0	0	324.318	0.920	10	5		DCBERN
COc1cc(C(=O)N2CCN3CCOC[C@H]3C2)ccc1[N+](=O)[O-]	ZINC000368825143	416694704	/nfs/dbraw/zinc/69/47/04/416694704.db2.gz	NFJIWYHCWVDBFK-GFCCVEGCSA-N	0	0	321.333	0.760	10	5		DCBERN
CCOC1CC(O)(CNc2ccc3ncc([N+](=O)[O-])n3n2)C1	ZINC000443965343	416793461	/nfs/dbraw/zinc/79/34/61/416793461.db2.gz	RGABGXYPJFVGTQ-UHFFFAOYSA-N	0	0	307.310	0.979	10	5		DCBERN
O=C(NCC1CC1)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000616018762	416956375	/nfs/dbraw/zinc/95/63/75/416956375.db2.gz	FOVRSZJNECHKPX-UHFFFAOYSA-N	0	0	304.306	0.401	10	5		DCBERN
CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000447062862	416959437	/nfs/dbraw/zinc/95/94/37/416959437.db2.gz	FSZHNASGMAQLSC-UHFFFAOYSA-N	0	0	321.341	0.866	10	5		DCBERN
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O	ZINC000408031230	304503030	/nfs/dbraw/zinc/50/30/30/304503030.db2.gz	LNGLTQQSRHFCQJ-CYZMBNFOSA-N	0	0	309.322	0.925	10	5		DCBERN
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1(CCO)CC1	ZINC000302432308	230244837	/nfs/dbraw/zinc/24/48/37/230244837.db2.gz	LLBXTEGTZCKSNA-UHFFFAOYSA-N	0	0	315.351	0.817	10	5		DCBERN
C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCN1CCO	ZINC000187263330	261122761	/nfs/dbraw/zinc/12/27/61/261122761.db2.gz	ZSRZFLKRWDWRRH-GFCCVEGCSA-N	0	0	322.365	0.532	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCCNS(C)(=O)=O	ZINC000194777255	261148276	/nfs/dbraw/zinc/14/82/76/261148276.db2.gz	ZHRYYTFCXICXCY-UHFFFAOYSA-N	0	0	301.324	0.182	10	5		DCBERN
C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])S(N)(=O)=O	ZINC000359608517	271131251	/nfs/dbraw/zinc/13/12/51/271131251.db2.gz	DQAJFUSOPRYWFE-LURJTMIESA-N	0	0	321.742	0.655	10	5		DCBERN
COC[C@](C)(O)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000532777881	272795271	/nfs/dbraw/zinc/79/52/71/272795271.db2.gz	WOWBYLHKUDGINH-GFCCVEGCSA-N	0	0	318.351	0.412	10	5		DCBERN
CCNC(=O)CN1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1	ZINC000302825298	276416228	/nfs/dbraw/zinc/41/62/28/276416228.db2.gz	YPBLJFWXNCMITJ-UHFFFAOYSA-N	0	0	310.329	0.992	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCOCC1CCC1	ZINC000562279504	288562526	/nfs/dbraw/zinc/56/25/26/288562526.db2.gz	XAIGCGSDXXLMNQ-UHFFFAOYSA-N	0	0	309.322	0.689	10	5		DCBERN
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@@H]2C1	ZINC000285834245	290235871	/nfs/dbraw/zinc/23/58/71/290235871.db2.gz	POBHXXSRIFJTFP-TZMCWYRMSA-N	0	0	321.333	0.846	10	5		DCBERN
C[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC(=O)N1C	ZINC000407970341	300106738	/nfs/dbraw/zinc/10/67/38/300106738.db2.gz	KZJRHNZRHMGANR-VIFPVBQESA-N	0	0	309.326	0.216	10	5		DCBERN
NC(=O)[C@]1(O)CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1	ZINC000284517090	303338201	/nfs/dbraw/zinc/33/82/01/303338201.db2.gz	FDOSFXYJQOOQEH-NSHDSACASA-N	0	0	300.702	0.460	10	5		DCBERN
CCS(=O)(=O)NCCCn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000155985586	521675522	/nfs/dbraw/zinc/67/55/22/521675522.db2.gz	VQRCIPCMZBTLTM-UHFFFAOYSA-N	0	0	303.340	0.394	10	5		DCBERN
O=C1NC(C2CC2)(C2CC2)C(=O)N1CCn1cc([N+](=O)[O-])cn1	ZINC000153828460	527057834	/nfs/dbraw/zinc/05/78/34/527057834.db2.gz	RJRIMDMTNFGDGN-UHFFFAOYSA-N	0	0	319.321	0.902	10	5		DCBERN
CCOC(=O)C(C)(C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000173461494	528559383	/nfs/dbraw/zinc/55/93/83/528559383.db2.gz	XOIJETUNKBBGGZ-JTQLQIEISA-N	0	0	300.315	0.084	10	5		DCBERN
COc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)O)c([N+](=O)[O-])c1	ZINC000344920370	657931602	/nfs/dbraw/zinc/93/16/02/657931602.db2.gz	PLQONIQZNPAFTJ-HTQZYQBOSA-N	0	0	304.324	0.651	10	5		DCBERN
CNC(=O)[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1N)C(C)C	ZINC000178589785	661338704	/nfs/dbraw/zinc/33/87/04/661338704.db2.gz	DAMPXICKBIVCCJ-LBPRGKRZSA-N	0	0	308.338	0.986	10	5		DCBERN
C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCO1	ZINC000262182854	662151682	/nfs/dbraw/zinc/15/16/82/662151682.db2.gz	XAABUXMQONOKRF-NSHDSACASA-N	0	0	324.337	0.399	10	5		DCBERN
CCN(CCS(C)(=O)=O)C(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000152215877	664740341	/nfs/dbraw/zinc/74/03/41/664740341.db2.gz	OAAYICIPZQAEBO-UHFFFAOYSA-N	0	0	315.351	0.805	10	5		DCBERN
CC[S@@](=O)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000733880863	666823799	/nfs/dbraw/zinc/82/37/99/666823799.db2.gz	WIXAAGSLUXPPAE-OAQYLSRUSA-N	0	0	310.335	0.970	10	5		DCBERN
CC[S@](=O)CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000733899008	666824446	/nfs/dbraw/zinc/82/44/46/666824446.db2.gz	BHWAYJVVHPBKDN-IBGZPJMESA-N	0	0	320.392	0.950	10	5		DCBERN
CC[S@](=O)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000733900514	666824779	/nfs/dbraw/zinc/82/47/79/666824779.db2.gz	ZXMFNBMLHWBWIZ-IBGZPJMESA-N	0	0	320.392	0.783	10	5		DCBERN
CCNC(=O)C1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1	ZINC000121478787	671840560	/nfs/dbraw/zinc/84/05/60/671840560.db2.gz	UHDVVGYZRBLMSJ-UHFFFAOYSA-N	0	0	322.277	0.711	10	5		DCBERN
O=C(Cc1ccccc1[N+](=O)[O-])NCCn1cnccc1=O	ZINC000585238159	1158110721	/nfs/dbraw/zinc/11/07/21/1158110721.db2.gz	PVAUCNINTLXXRO-UHFFFAOYSA-N	0	0	302.290	0.510	10	5		DCBERN
O=C(Cn1nc([N+](=O)[O-])nc1Br)[C@H]1CCOC1	ZINC000231803474	1180556145	/nfs/dbraw/zinc/55/61/45/1180556145.db2.gz	XAKBHOPSCPNZIE-YFKPBYRVSA-N	0	0	305.088	0.554	10	5		DCBERN
NC(=O)[C@@H](O)CNc1cccc(Br)c1[N+](=O)[O-]	ZINC000310327414	774336825	/nfs/dbraw/zinc/33/68/25/774336825.db2.gz	JDQHBABUVGXKCW-ZETCQYMHSA-N	0	0	304.100	0.615	10	5		DCBERN
CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1	ZINC000171489533	186168437	/nfs/dbraw/zinc/16/84/37/186168437.db2.gz	CXZMAMOPYYTYCK-NSHDSACASA-N	0	0	307.306	0.954	10	5		DCBERN
Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCN(c2ccnn2C)C1=O	ZINC000568824765	291447933	/nfs/dbraw/zinc/44/79/33/291447933.db2.gz	ZWYDSOLCPOAJEM-VIFPVBQESA-N	0	0	319.325	0.669	10	5		DCBERN
CNC(=O)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000104358801	194001778	/nfs/dbraw/zinc/00/17/78/194001778.db2.gz	BGBJQCVKRVIYNK-NSHDSACASA-N	0	0	322.277	0.854	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccnn1C	ZINC000041880173	395739781	/nfs/dbraw/zinc/73/97/81/395739781.db2.gz	JWPYCXWFEQVGPH-UHFFFAOYSA-N	0	0	317.305	0.892	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(n2cncn2)CC1	ZINC000194711222	395804457	/nfs/dbraw/zinc/80/44/57/395804457.db2.gz	SKGOVORAEFXNFE-UHFFFAOYSA-N	0	0	305.298	0.247	10	5		DCBERN
Cc1c(NC(=O)C(=O)NCC2(C)COC2)cccc1[N+](=O)[O-]	ZINC000112757921	395824204	/nfs/dbraw/zinc/82/42/04/395824204.db2.gz	ZQVSRWRVUADIES-UHFFFAOYSA-N	0	0	307.306	0.994	10	5		DCBERN
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@@+]2([O-])CCC[C@@H]12)[C@@H](C)O	ZINC000253623450	396031177	/nfs/dbraw/zinc/03/11/77/396031177.db2.gz	ZRIYCGOWLRWLAO-GADBESIXSA-N	0	0	302.391	0.686	10	5		DCBERN
Cc1nnc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)[nH]1	ZINC000173528064	396135734	/nfs/dbraw/zinc/13/57/34/396135734.db2.gz	ACEGOEDUSLRWSL-SECBINFHSA-N	0	0	307.266	0.828	10	5		DCBERN
COCCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C	ZINC000176755316	396160029	/nfs/dbraw/zinc/16/00/29/396160029.db2.gz	KVDNMSVNISMIFY-LLVKDONJSA-N	0	0	322.365	0.970	10	5		DCBERN
Cc1sc(C(=O)NC[C@@H]2CN3CCN2CC3)cc1[N+](=O)[O-]	ZINC000178604595	396200040	/nfs/dbraw/zinc/20/00/40/396200040.db2.gz	KGABOSZZVKMINO-SNVBAGLBSA-N	0	0	310.379	0.694	10	5		DCBERN
CCN1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1=O	ZINC000190644662	396408846	/nfs/dbraw/zinc/40/88/46/396408846.db2.gz	RIISFMZDSXYSKX-UHFFFAOYSA-N	0	0	313.335	0.714	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCC(=O)NC2CCCCC2)n1	ZINC000191581247	396421983	/nfs/dbraw/zinc/42/19/83/396421983.db2.gz	XQQPJYMYXKLDDC-UHFFFAOYSA-N	0	0	323.353	0.990	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCN2CCOCC2)n1	ZINC000191797425	396425007	/nfs/dbraw/zinc/42/50/07/396425007.db2.gz	HWVAZMIEIDYEJE-UHFFFAOYSA-N	0	0	311.342	0.215	10	5		DCBERN
COc1cccc(C(=O)N2CCN(CCO)[C@H](C)C2)c1[N+](=O)[O-]	ZINC000192909956	396440539	/nfs/dbraw/zinc/44/05/39/396440539.db2.gz	OTGMFEKGZHDRNN-LLVKDONJSA-N	0	0	323.349	0.742	10	5		DCBERN
C[C@@H]1C(=O)NCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000188089874	396378978	/nfs/dbraw/zinc/37/89/78/396378978.db2.gz	ABPQXQLITXMOFH-MRVPVSSYSA-N	0	0	317.305	0.822	10	5		DCBERN
NS(=O)(=O)C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl	ZINC000611398660	396861545	/nfs/dbraw/zinc/86/15/45/396861545.db2.gz	AQGTZKGCXWSHQZ-ZETCQYMHSA-N	0	0	320.758	0.901	10	5		DCBERN
Cn1cc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)nn1	ZINC000611940374	396953001	/nfs/dbraw/zinc/95/30/01/396953001.db2.gz	ZLZVMWRXIDCRBJ-UHFFFAOYSA-N	0	0	304.310	0.765	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC([C@H]2CCOC2)CC1	ZINC000612346004	397033092	/nfs/dbraw/zinc/03/30/92/397033092.db2.gz	IVJWWJAZUCEXMZ-NSHDSACASA-N	0	0	309.326	0.461	10	5		DCBERN
Cn1nc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c2ccccc21	ZINC000612713230	397125412	/nfs/dbraw/zinc/12/54/12/397125412.db2.gz	OVVLLIOODICKHD-UHFFFAOYSA-N	0	0	315.293	0.389	10	5		DCBERN
CCN1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000619802427	397195154	/nfs/dbraw/zinc/19/51/54/397195154.db2.gz	COUSNNXJRCXIKX-LBPRGKRZSA-N	0	0	307.306	0.711	10	5		DCBERN
CC(=O)CN(CC(C)C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599325283	397407345	/nfs/dbraw/zinc/40/73/45/397407345.db2.gz	CMKSEBZFPXMYOM-UHFFFAOYSA-N	0	0	318.355	0.564	10	5		DCBERN
CO[C@](C)(CO)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000594485390	397561933	/nfs/dbraw/zinc/56/19/33/397561933.db2.gz	RQHMXZPZVHDRKK-NSHDSACASA-N	0	0	304.324	0.271	10	5		DCBERN
CCCN(CCO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000048922046	158008630	/nfs/dbraw/zinc/00/86/30/158008630.db2.gz	JFNWSGUZDBVTJF-UHFFFAOYSA-N	0	0	318.351	0.996	10	5		DCBERN
O=C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCN1	ZINC000065955080	158034063	/nfs/dbraw/zinc/03/40/63/158034063.db2.gz	CBRVDHXOJCDMCS-UHFFFAOYSA-N	0	0	317.305	0.967	10	5		DCBERN
CO[C@@H]1CC[C@@H]2OCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@@H]2C1	ZINC000120157195	158194939	/nfs/dbraw/zinc/19/49/39/158194939.db2.gz	WXGIHSDPHPKHIQ-UTUOFQBUSA-N	0	0	324.337	0.586	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCS(=O)(=O)[C@H](C)C1	ZINC000122465009	158220711	/nfs/dbraw/zinc/22/07/11/158220711.db2.gz	XRMOEJLWQAMRKL-MRVPVSSYSA-N	0	0	313.335	0.557	10	5		DCBERN
O=C(NCc1ccnc(-n2ccnc2)c1)c1[nH]ncc1[N+](=O)[O-]	ZINC000137287313	158345530	/nfs/dbraw/zinc/34/55/30/158345530.db2.gz	XPSUAFWAIGKCIU-UHFFFAOYSA-N	0	0	313.277	0.829	10	5		DCBERN
CN1C(=O)N[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)CC[C@@H]21	ZINC000408051140	160023874	/nfs/dbraw/zinc/02/38/74/160023874.db2.gz	NQNRSVGNUZXEJC-SFYZADRCSA-N	0	0	310.335	0.894	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1	ZINC000152507027	287042084	/nfs/dbraw/zinc/04/20/84/287042084.db2.gz	DDZPVOUBTGQQQD-JQWIXIFHSA-N	0	0	307.306	0.666	10	5		DCBERN
COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC(=O)N(C)C2)c1	ZINC000133352426	415943997	/nfs/dbraw/zinc/94/39/97/415943997.db2.gz	AGMXYAUMAKIXDI-VIFPVBQESA-N	0	0	307.306	0.954	10	5		DCBERN
CN(CCN1CCCC1=O)c1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000301226037	416077814	/nfs/dbraw/zinc/07/78/14/416077814.db2.gz	FXZFBZYQMDHTKO-UHFFFAOYSA-N	0	0	307.310	0.147	10	5		DCBERN
C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCS1(=O)=O	ZINC000160761899	416009091	/nfs/dbraw/zinc/00/90/91/416009091.db2.gz	SUSYOFZFFPKEIJ-MRVPVSSYSA-N	0	0	311.323	0.261	10	5		DCBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@H](CO)C2)c(F)c1	ZINC000167698804	416022852	/nfs/dbraw/zinc/02/28/52/416022852.db2.gz	CPMMNWSZXFVNCW-VIFPVBQESA-N	0	0	320.298	0.116	10	5		DCBERN
COc1cc(C(=O)N(C)Cc2nnnn2C)cc([N+](=O)[O-])c1C	ZINC000357785197	416131719	/nfs/dbraw/zinc/13/17/19/416131719.db2.gz	GOXMWQBBNJJIEX-UHFFFAOYSA-N	0	0	320.309	0.708	10	5		DCBERN
CNC(=O)[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(C)C	ZINC000178710552	416170602	/nfs/dbraw/zinc/17/06/02/416170602.db2.gz	KOCVNUUDUKXNDQ-CQSZACIVSA-N	0	0	322.365	0.918	10	5		DCBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCN2CCCC[C@H]2C1	ZINC000180549956	416198117	/nfs/dbraw/zinc/19/81/17/416198117.db2.gz	UBPFYFTZTLZWKF-JTQLQIEISA-N	0	0	305.338	0.882	10	5		DCBERN
Cc1cc(C(=O)NCC(=O)N[C@@H]2CCCOC2)ccc1[N+](=O)[O-]	ZINC000183432937	416242444	/nfs/dbraw/zinc/24/24/44/416242444.db2.gz	XVXAQDYQFTUBMW-GFCCVEGCSA-N	0	0	321.333	0.928	10	5		DCBERN
COC(=O)C[C@H]1C(=O)NCCN1Cc1ccc([N+](=O)[O-])cc1C	ZINC000183228932	416238703	/nfs/dbraw/zinc/23/87/03/416238703.db2.gz	XBQHTBLLISSRHI-ZDUSSCGKSA-N	0	0	321.333	0.767	10	5		DCBERN
COc1cccc(CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)n1	ZINC000194618618	416323297	/nfs/dbraw/zinc/32/32/97/416323297.db2.gz	SBQSGZYRJXUTFU-UHFFFAOYSA-N	0	0	305.294	0.970	10	5		DCBERN
NC(=O)N[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1	ZINC000536481637	416540931	/nfs/dbraw/zinc/54/09/31/416540931.db2.gz	PLPIIJFYMXZMIW-SNVBAGLBSA-N	0	0	307.310	0.547	10	5		DCBERN
COc1cc(C(=O)NCc2cn(C)nn2)cc([N+](=O)[O-])c1C	ZINC000616432976	417045862	/nfs/dbraw/zinc/04/58/62/417045862.db2.gz	OYICUOALGOQTKQ-UHFFFAOYSA-N	0	0	305.294	0.970	10	5		DCBERN
C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC(=O)N1	ZINC000451883608	417410867	/nfs/dbraw/zinc/41/08/67/417410867.db2.gz	UTSDAXSSYGGJOG-VIFPVBQESA-N	0	0	313.335	0.245	10	5		DCBERN
CCOC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC12COC2	ZINC000452620710	417493800	/nfs/dbraw/zinc/49/38/00/417493800.db2.gz	ZGQMZGAZDTYIEP-SNVBAGLBSA-N	0	0	323.305	0.575	10	5		DCBERN
NS(=O)(=O)c1cc(NCC2(CCO)CC2)cc([N+](=O)[O-])c1	ZINC000302460152	230252938	/nfs/dbraw/zinc/25/29/38/230252938.db2.gz	RFWVJMZWIWWIBK-UHFFFAOYSA-N	0	0	315.351	0.817	10	5		DCBERN
Cc1nn(CCC(=O)N2CC(n3ccnn3)C2)c(C)c1[N+](=O)[O-]	ZINC000360336366	261823600	/nfs/dbraw/zinc/82/36/00/261823600.db2.gz	PCXZXWDODRUXDJ-UHFFFAOYSA-N	0	0	319.325	0.473	10	5		DCBERN
CN1C(=O)CN(c2ccc([N+](=O)[O-])c3cnccc32)CC1=O	ZINC000184294092	276876194	/nfs/dbraw/zinc/87/61/94/276876194.db2.gz	FRTJURIZTDHSBY-UHFFFAOYSA-N	0	0	300.274	0.948	10	5		DCBERN
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCO[C@H](C(=O)C2CC2)C1	ZINC000548719260	288170148	/nfs/dbraw/zinc/17/01/48/288170148.db2.gz	UGAWXVHCAPNPDI-JTQLQIEISA-N	0	0	308.294	0.148	10	5		DCBERN
Cc1cc(C(=O)NC[C@@H](O)CN2CCOCC2)cc([N+](=O)[O-])c1	ZINC000121980043	280349543	/nfs/dbraw/zinc/34/95/43/280349543.db2.gz	XYOXJFSHMNTQOU-CQSZACIVSA-N	0	0	323.349	0.326	10	5		DCBERN
CO[C@H]1C[C@@H](C(N)=O)N(c2ncc(Cl)cc2[N+](=O)[O-])C1	ZINC000284500364	294604376	/nfs/dbraw/zinc/60/43/76/294604376.db2.gz	KJATVKQPZVGXPS-YUMQZZPRSA-N	0	0	300.702	0.722	10	5		DCBERN
[NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000038050099	303453721	/nfs/dbraw/zinc/45/37/21/303453721.db2.gz	YEKQFJODDVHXPD-NXEZZACHSA-N	0	0	315.351	0.849	10	5		DCBERN
CCCc1n[nH]c(C(=O)N2CC(NC(=O)C3CC3)C2)c1[N+](=O)[O-]	ZINC000189368965	521326367	/nfs/dbraw/zinc/32/63/67/521326367.db2.gz	DOUYKALMSUHAGI-UHFFFAOYSA-N	0	0	321.337	0.621	10	5		DCBERN
C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCO1	ZINC000160432264	521851180	/nfs/dbraw/zinc/85/11/80/521851180.db2.gz	JEGKONSODJXMJR-LLVKDONJSA-N	0	0	309.322	0.703	10	5		DCBERN
CN(CC1(CO)CC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000189110878	522595160	/nfs/dbraw/zinc/59/51/60/522595160.db2.gz	IFGAQYIUJPUQBP-UHFFFAOYSA-N	0	0	321.333	0.556	10	5		DCBERN
COCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1=O	ZINC000120782751	523851911	/nfs/dbraw/zinc/85/19/11/523851911.db2.gz	HHMJZRYMWZMHQS-UHFFFAOYSA-N	0	0	321.333	0.834	10	5		DCBERN
C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])N1CCOCC1	ZINC000124573910	524691457	/nfs/dbraw/zinc/69/14/57/524691457.db2.gz	NPIJZFONTGKKCK-JTQLQIEISA-N	0	0	309.326	0.832	10	5		DCBERN
Cc1ccc(NCCCNC(=O)[C@@H]2CNC(=O)C2)c([N+](=O)[O-])c1	ZINC000156931380	525277415	/nfs/dbraw/zinc/27/74/15/525277415.db2.gz	YGRJVZUXSSMEJM-NSHDSACASA-N	0	0	320.349	0.958	10	5		DCBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCC[C@@H]1O	ZINC000161539128	526467227	/nfs/dbraw/zinc/46/72/27/526467227.db2.gz	XKVDSHGNUPACCV-JQWIXIFHSA-N	0	0	311.342	0.642	10	5		DCBERN
O=C(COc1cccc([N+](=O)[O-])c1)N1CC(NC(=O)C2CC2)C1	ZINC000189415399	526978336	/nfs/dbraw/zinc/97/83/36/526978336.db2.gz	CTHOLRDGTPIDKJ-UHFFFAOYSA-N	0	0	319.317	0.711	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000112648182	527090616	/nfs/dbraw/zinc/09/06/16/527090616.db2.gz	PDLJTWRIQNAPTD-SNVBAGLBSA-N	0	0	319.325	0.213	10	5		DCBERN
Nc1ccc(C(=O)NCCCN2CCCC2=O)cc1[N+](=O)[O-]	ZINC000010135205	666275146	/nfs/dbraw/zinc/27/51/46/666275146.db2.gz	XUMATSPUBZTQIS-UHFFFAOYSA-N	0	0	306.322	0.919	10	5		DCBERN
Nc1ccc(C(=O)NC[C@@]2(CCO)CCOC2)cc1[N+](=O)[O-]	ZINC000119086582	667083540	/nfs/dbraw/zinc/08/35/40/667083540.db2.gz	SUZQJXSKOYVKBD-CQSZACIVSA-N	0	0	309.322	0.696	10	5		DCBERN
C[N@H+](CCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1	ZINC000062010865	1157809902	/nfs/dbraw/zinc/80/99/02/1157809902.db2.gz	HBSOSRBIMTWLDY-UHFFFAOYSA-N	0	0	315.351	0.673	10	5		DCBERN
C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000037647599	1171441346	/nfs/dbraw/zinc/44/13/46/1171441346.db2.gz	ODXQMGRCWNXHEF-SECBINFHSA-N	0	0	315.351	0.530	10	5		DCBERN
O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2C[C@@H](CO)C2)cc1	ZINC000707510353	939270236	/nfs/dbraw/zinc/27/02/36/939270236.db2.gz	ZSRRUMRPUVXDGP-PHIMTYICSA-N	0	0	300.336	0.785	10	5		DCBERN
CO[C@@]1(CNc2ccc([N+](=O)[O-])cn2)CCS(=O)(=O)C1	ZINC000721212089	944697215	/nfs/dbraw/zinc/69/72/15/944697215.db2.gz	USQQKXFMRNXTBI-LLVKDONJSA-N	0	0	301.324	0.605	10	5		DCBERN
CN(C)c1ncccc1N(C)C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000176778357	529814575	/nfs/dbraw/zinc/81/45/75/529814575.db2.gz	VFXRPCHKZLUQBN-UHFFFAOYSA-N	0	0	304.310	0.915	10	5		DCBERN
Cc1c(CC(=O)N2CCOC[C@@H]2C(N)=O)cccc1[N+](=O)[O-]	ZINC000091781513	193106619	/nfs/dbraw/zinc/10/66/19/193106619.db2.gz	JAJHHHCPUJUUPE-GFCCVEGCSA-N	0	0	307.306	0.158	10	5		DCBERN
COC(=O)c1cnc(N[C@@H]2CCc3ncnn3C2)c([N+](=O)[O-])c1	ZINC000276899835	130558028	/nfs/dbraw/zinc/55/80/28/130558028.db2.gz	NCVDIUOIKNGDJS-SECBINFHSA-N	0	0	318.293	0.795	10	5		DCBERN
CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)CO)c1	ZINC000090285093	395718521	/nfs/dbraw/zinc/71/85/21/395718521.db2.gz	NPKHLWFQAGUZEH-GFCCVEGCSA-N	0	0	300.336	0.790	10	5		DCBERN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1CC(O)C1	ZINC000091525646	395726067	/nfs/dbraw/zinc/72/60/67/395726067.db2.gz	YBJBVWWBGDGYRF-UHFFFAOYSA-N	0	0	300.336	0.952	10	5		DCBERN
O=C(N[C@@H]1CCc2ncnn2C1)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000193579640	395772968	/nfs/dbraw/zinc/77/29/68/395772968.db2.gz	OSBYUKDRUQHVIM-MRVPVSSYSA-N	0	0	304.266	0.032	10	5		DCBERN
CS(=O)(=O)N[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1	ZINC000116890062	395848564	/nfs/dbraw/zinc/84/85/64/395848564.db2.gz	MLSJGXOJNYJTDE-SECBINFHSA-N	0	0	317.342	0.857	10	5		DCBERN
Cc1cnn(CCNC(=O)CCn2cc([N+](=O)[O-])nc2C)c1	ZINC000117818259	395855174	/nfs/dbraw/zinc/85/51/74/395855174.db2.gz	WOWSLFFVBZXREK-UHFFFAOYSA-N	0	0	306.326	0.811	10	5		DCBERN
CN1CCO[C@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@H]21	ZINC000152952966	396018950	/nfs/dbraw/zinc/01/89/50/396018950.db2.gz	YOJUVEFHGFHINC-NEPJUHHUSA-N	0	0	323.353	0.068	10	5		DCBERN
CC(C)C[C@@H](CO)N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000185687056	396333507	/nfs/dbraw/zinc/33/35/07/396333507.db2.gz	OBOKJJMZCPKFIY-NSHDSACASA-N	0	0	313.358	0.840	10	5		DCBERN
Cc1nn(CCC(=O)N2CCCNC(=O)[C@H]2C)c(C)c1[N+](=O)[O-]	ZINC000188936355	396388396	/nfs/dbraw/zinc/38/83/96/396388396.db2.gz	LLFYQQAXSSVWAN-LLVKDONJSA-N	0	0	323.353	0.535	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)O[C@H](COC)C2)n1	ZINC000191899257	396427168	/nfs/dbraw/zinc/42/71/68/396427168.db2.gz	UAMLVGWFAQRWEN-ZJUUUORDSA-N	0	0	312.326	0.687	10	5		DCBERN
CC(=O)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)[C@@H](C)C1	ZINC000588000438	396674038	/nfs/dbraw/zinc/67/40/38/396674038.db2.gz	XAOXEYSVRCDSMH-VIFPVBQESA-N	0	0	308.338	0.726	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN2CCOC[C@@H]2C1	ZINC000374960693	396701368	/nfs/dbraw/zinc/70/13/68/396701368.db2.gz	DFTQKGVLSRAPLL-LBPRGKRZSA-N	0	0	323.353	0.033	10	5		DCBERN
Cc1cnc(N2CCN(S(C)(=O)=O)[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000596478835	396783276	/nfs/dbraw/zinc/78/32/76/396783276.db2.gz	NXZZYIBIMNGKSF-SNVBAGLBSA-N	0	0	314.367	0.768	10	5		DCBERN
Cc1cc(N2CCN(S(C)(=O)=O)[C@H](C)C2)ncc1[N+](=O)[O-]	ZINC000596479870	396783916	/nfs/dbraw/zinc/78/39/16/396783916.db2.gz	VEQUWIRGHNDIRD-SNVBAGLBSA-N	0	0	314.367	0.768	10	5		DCBERN
Cc1cc(N2CCC[C@@H]2CS(N)(=O)=O)ncc1[N+](=O)[O-]	ZINC000611398677	396861661	/nfs/dbraw/zinc/86/16/61/396861661.db2.gz	FDTFJTPTHZRACN-SECBINFHSA-N	0	0	300.340	0.556	10	5		DCBERN
NS(=O)(=O)C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl	ZINC000611398659	396862213	/nfs/dbraw/zinc/86/22/13/396862213.db2.gz	AQGTZKGCXWSHQZ-SSDOTTSWSA-N	0	0	320.758	0.901	10	5		DCBERN
O=C(CCn1cc([N+](=O)[O-])cn1)NC1(CCO)CCOCC1	ZINC000611526866	396880694	/nfs/dbraw/zinc/88/06/94/396880694.db2.gz	VGKYEQDHVNDPPZ-UHFFFAOYSA-N	0	0	312.326	0.229	10	5		DCBERN
Cn1cc(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)nn1	ZINC000611931430	396950700	/nfs/dbraw/zinc/95/07/00/396950700.db2.gz	STAAYVKWFOTTDX-UHFFFAOYSA-N	0	0	305.294	0.784	10	5		DCBERN
C[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000401566497	533675969	/nfs/dbraw/zinc/67/59/69/533675969.db2.gz	BNBMWSUOZRKKGW-MWLCHTKSSA-N	0	0	300.336	0.986	10	5		DCBERN
CC(=O)N[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1	ZINC000067831820	158040520	/nfs/dbraw/zinc/04/05/20/158040520.db2.gz	DOIFDGJZWOCWDY-LLVKDONJSA-N	0	0	309.326	0.227	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C	ZINC000068575608	158042953	/nfs/dbraw/zinc/04/29/53/158042953.db2.gz	YOZUMKLGZJIVRO-GXSJLCMTSA-N	0	0	323.353	0.602	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN(C2CC2)CCO1	ZINC000127482147	158274662	/nfs/dbraw/zinc/27/46/62/158274662.db2.gz	ZDPNBBMYMYZPCT-ZDUSSCGKSA-N	0	0	320.349	0.891	10	5		DCBERN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCOCC2)C1	ZINC000172761415	158399809	/nfs/dbraw/zinc/39/98/09/158399809.db2.gz	UVCMOJNDRYNAFP-GFCCVEGCSA-N	0	0	320.349	0.845	10	5		DCBERN
O=C(CN1CCN2CCOC[C@H]2C1)Nc1ccccc1[N+](=O)[O-]	ZINC000368325588	159387213	/nfs/dbraw/zinc/38/72/13/159387213.db2.gz	BAZZIPPDPBZQRI-GFCCVEGCSA-N	0	0	320.349	0.550	10	5		DCBERN
COc1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1[N+](=O)[O-]	ZINC000371868349	159590269	/nfs/dbraw/zinc/59/02/69/159590269.db2.gz	AFCHLZYONQBOFV-LBPRGKRZSA-N	0	0	321.333	0.760	10	5		DCBERN
Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000408149514	160048679	/nfs/dbraw/zinc/04/86/79/160048679.db2.gz	IUMUWZBTYGJHEQ-OAHLLOKOSA-N	0	0	318.333	0.919	10	5		DCBERN
CNC(=O)C(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000119823270	415750783	/nfs/dbraw/zinc/75/07/83/415750783.db2.gz	UKQOMLYDWWQPMT-UHFFFAOYSA-N	0	0	321.380	0.707	10	5		DCBERN
O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1Cc2ccccc2[C@@H]1O	ZINC000178696993	416168900	/nfs/dbraw/zinc/16/89/00/416168900.db2.gz	KVXQEULRQLWSBG-RISCZKNCSA-N	0	0	302.290	0.566	10	5		DCBERN
Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCN2CCCC[C@@H]2C1	ZINC000180549934	416197256	/nfs/dbraw/zinc/19/72/56/416197256.db2.gz	UBPFYFTZTLZWKF-SNVBAGLBSA-N	0	0	305.338	0.882	10	5		DCBERN
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cn1ncn(C)c1=O	ZINC000182600851	416226657	/nfs/dbraw/zinc/22/66/57/416226657.db2.gz	XNGJJEXTEBUWQD-SECBINFHSA-N	0	0	317.305	0.468	10	5		DCBERN
O=C1CCc2cc([N+](=O)[O-])c(N3CCNC(=O)CC3)cc2N1	ZINC000193716402	416319378	/nfs/dbraw/zinc/31/93/78/416319378.db2.gz	SDDVFVBITARSEW-UHFFFAOYSA-N	0	0	304.306	0.806	10	5		DCBERN
CC[C@@H](C)NC(=O)CCNC(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000191563724	416286108	/nfs/dbraw/zinc/28/61/08/416286108.db2.gz	QEPJSJYJVKDROG-SECBINFHSA-N	0	0	311.342	0.846	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)n1	ZINC000191775979	416288727	/nfs/dbraw/zinc/28/87/27/416288727.db2.gz	MFFHZMQJRCVPKU-RKDXNWHRSA-N	0	0	309.326	0.537	10	5		DCBERN
Cc1c(CNC(=O)N2CC[C@@H](NC(N)=O)C2)cccc1[N+](=O)[O-]	ZINC000359545867	416350100	/nfs/dbraw/zinc/35/01/00/416350100.db2.gz	KBSOVSUXVQIUBI-LLVKDONJSA-N	0	0	321.337	0.855	10	5		DCBERN
COC(=O)c1cc(C)nc(NCc2nnc(C)o2)c1[N+](=O)[O-]	ZINC000587313820	416521348	/nfs/dbraw/zinc/52/13/48/416521348.db2.gz	XBESGZIMMIHKPK-UHFFFAOYSA-N	0	0	307.266	1.388	10	5		DCBERN
COc1ccc(CC(=O)N2CC[C@@H](NC(N)=O)C2)cc1[N+](=O)[O-]	ZINC000535713341	416525605	/nfs/dbraw/zinc/52/56/05/416525605.db2.gz	NDXASTDBFSRIEY-SNVBAGLBSA-N	0	0	322.321	0.415	10	5		DCBERN
O=C(CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)NC1CCCCC1	ZINC000361984293	416539379	/nfs/dbraw/zinc/53/93/79/416539379.db2.gz	SQGVQBVVHCKANM-UHFFFAOYSA-N	0	0	322.321	0.874	10	5		DCBERN
COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2CCOC[C@@H]2C1	ZINC000368895258	416703127	/nfs/dbraw/zinc/70/31/27/416703127.db2.gz	ITGCFKHEHKNTEN-LBPRGKRZSA-N	0	0	321.333	0.760	10	5		DCBERN
C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H](O)Cc1ccccc1	ZINC000438233240	287368655	/nfs/dbraw/zinc/36/86/55/287368655.db2.gz	FUAMFXPZCYWRHE-PWSUYJOCSA-N	0	0	319.321	0.295	10	5		DCBERN
CNC(=O)[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C	ZINC000183637393	261116697	/nfs/dbraw/zinc/11/66/97/261116697.db2.gz	YBLBUISHPLNTAU-LBPRGKRZSA-N	0	0	308.338	0.554	10	5		DCBERN
C[NH+](C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCO1	ZINC000186578774	289217394	/nfs/dbraw/zinc/21/73/94/289217394.db2.gz	XUPYGIOOMPWZKG-NSHDSACASA-N	0	0	309.322	0.703	10	5		DCBERN
NC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2[N+](=O)[O-])n1	ZINC000115966073	295175497	/nfs/dbraw/zinc/17/54/97/295175497.db2.gz	JMFANBTVKZIEQV-UHFFFAOYSA-N	0	0	308.681	0.952	10	5		DCBERN
O=C1NCCC[C@@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000051156569	304668293	/nfs/dbraw/zinc/66/82/93/304668293.db2.gz	ALUFAPUGGMENCW-QMMMGPOBSA-N	0	0	317.298	0.291	10	5		DCBERN
O=C(NC[C@@H](O)CN1CCOCC1)c1ccccc1[N+](=O)[O-]	ZINC000154103508	303785225	/nfs/dbraw/zinc/78/52/25/303785225.db2.gz	UYSZCNYTTNZONR-LLVKDONJSA-N	0	0	309.322	0.018	10	5		DCBERN
CN1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCC1=O	ZINC000134127232	524022304	/nfs/dbraw/zinc/02/23/04/524022304.db2.gz	ZCDPBRAYCSAZIM-SNVBAGLBSA-N	0	0	307.306	0.711	10	5		DCBERN
C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C(N)=O)O1	ZINC000157606244	524796053	/nfs/dbraw/zinc/79/60/53/524796053.db2.gz	WGYXAEGTVLXDGY-BXKDBHETSA-N	0	0	307.306	0.239	10	5		DCBERN
Cc1c(CC(=O)NC[C@H]2CN(C)CCO2)cccc1[N+](=O)[O-]	ZINC000163932381	525693785	/nfs/dbraw/zinc/69/37/85/525693785.db2.gz	ZDJTVPMYWJLCNW-ZDUSSCGKSA-N	0	0	307.350	0.893	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)n1	ZINC000270776625	527327748	/nfs/dbraw/zinc/32/77/48/527327748.db2.gz	RSWJPENRDVFULE-UHFFFAOYSA-N	0	0	323.353	0.659	10	5		DCBERN
Nc1cccc([N+](=O)[O-])c1C(=O)N1CC(NC(=O)C2CC2)C1	ZINC000189421648	527520603	/nfs/dbraw/zinc/52/06/03/527520603.db2.gz	IQTWDOUNEQCORE-UHFFFAOYSA-N	0	0	304.306	0.528	10	5		DCBERN
O=C(NC1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)C1CC1	ZINC000187975238	527542843	/nfs/dbraw/zinc/54/28/43/527542843.db2.gz	OGHSYVPRDGIGIC-AWEZNQCLSA-N	0	0	305.334	0.839	10	5		DCBERN
CNC(=O)[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1N)C(C)C	ZINC000178589797	661338809	/nfs/dbraw/zinc/33/88/09/661338809.db2.gz	DAMPXICKBIVCCJ-GFCCVEGCSA-N	0	0	308.338	0.986	10	5		DCBERN
C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)N1CCOCC1	ZINC000195156292	670471520	/nfs/dbraw/zinc/47/15/20/670471520.db2.gz	NKCDUZSQRSTZOA-SNVBAGLBSA-N	0	0	308.338	0.628	10	5		DCBERN
NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl	ZINC000160396201	685138021	/nfs/dbraw/zinc/13/80/21/685138021.db2.gz	SXVHZEVBEFRXLB-MUWHJKNJSA-N	0	0	313.697	0.309	10	5		DCBERN
CCS(=O)(=O)N(C)CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000175590078	1184107219	/nfs/dbraw/zinc/10/72/19/1184107219.db2.gz	YPOJXBJOGJPPEV-UHFFFAOYSA-N	0	0	319.314	0.954	10	5		DCBERN
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C[C@H](CO)[C@H](O)C1	ZINC000317595902	775103201	/nfs/dbraw/zinc/10/32/01/775103201.db2.gz	DNYMJZMJWWFZCY-LDYMZIIASA-N	0	0	300.698	0.673	10	5		DCBERN
CC(C)(O)CCN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O	ZINC000092800480	185342100	/nfs/dbraw/zinc/34/21/00/185342100.db2.gz	ZMLAHQMZTYPEHS-UHFFFAOYSA-N	0	0	314.319	0.900	10	5		DCBERN
CNS(=O)(=O)[C@@H]1CCN(c2cc(CO)ccc2[N+](=O)[O-])C1	ZINC000302067162	530023801	/nfs/dbraw/zinc/02/38/01/530023801.db2.gz	UQEHHSXOVIEDPM-SNVBAGLBSA-N	0	0	315.351	0.215	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]1Cn1ccnc1	ZINC000177814938	198782407	/nfs/dbraw/zinc/78/24/07/198782407.db2.gz	UEBSXGYPKZIOTK-GFCCVEGCSA-N	0	0	318.337	0.987	10	5		DCBERN
O=C(NC[C@]1(O)CCOC1)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000178938930	198956859	/nfs/dbraw/zinc/95/68/59/198956859.db2.gz	BQAOLRWOAZVPFT-CQSZACIVSA-N	0	0	305.290	0.957	10	5		DCBERN
NC(=O)c1cc([N+](=O)[O-])cn(Cc2cnc3ccccn23)c1=O	ZINC000155930938	291222544	/nfs/dbraw/zinc/22/25/44/291222544.db2.gz	BDZAQIGMFHQOOK-UHFFFAOYSA-N	0	0	313.273	0.551	10	5		DCBERN
O=[N+]([O-])c1ccc(OS(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000040166333	183042479	/nfs/dbraw/zinc/04/24/79/183042479.db2.gz	GMUAGAJUVKXMQR-JTQLQIEISA-N	0	0	321.332	0.491	10	5		DCBERN
CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H](O)CN1CCOCC1	ZINC000340161092	253209884	/nfs/dbraw/zinc/20/98/84/253209884.db2.gz	AFSVJAALZIPROY-CYBMUJFWSA-N	0	0	324.333	0.869	10	5		DCBERN
C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])S(N)(=O)=O	ZINC000350627751	254321386	/nfs/dbraw/zinc/32/13/86/254321386.db2.gz	FQYZIBDTVFGWRL-LURJTMIESA-N	0	0	321.742	0.655	10	5		DCBERN
CCS(=O)(=O)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000113130792	132174836	/nfs/dbraw/zinc/17/48/36/132174836.db2.gz	LHILMRMINBQZAD-QMMMGPOBSA-N	0	0	315.351	0.851	10	5		DCBERN
CCOC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000037565041	395727771	/nfs/dbraw/zinc/72/77/71/395727771.db2.gz	VLRSEDYRQUXOHJ-UHFFFAOYSA-N	0	0	318.307	0.445	10	5		DCBERN
CS(=O)(=O)N[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000116834356	395846936	/nfs/dbraw/zinc/84/69/36/395846936.db2.gz	VQUKXEHCLMQCTE-JTQLQIEISA-N	0	0	313.335	0.359	10	5		DCBERN
CS(=O)(=O)N1CCC[C@@H](Nc2ccncc2[N+](=O)[O-])C1	ZINC000066810606	396014284	/nfs/dbraw/zinc/01/42/84/396014284.db2.gz	IJPMRXMNCIBTKW-SECBINFHSA-N	0	0	300.340	0.826	10	5		DCBERN
Cc1cc([N+](=O)[O-])ccc1C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O	ZINC000171031443	396104081	/nfs/dbraw/zinc/10/40/81/396104081.db2.gz	VDQNECAISHXVJF-GFCCVEGCSA-N	0	0	317.301	0.923	10	5		DCBERN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](n2cncn2)C1	ZINC000171579727	396119306	/nfs/dbraw/zinc/11/93/06/396119306.db2.gz	ZLHQJBPZLMZKRA-SNVBAGLBSA-N	0	0	305.298	0.247	10	5		DCBERN
Cc1c(F)cc(S(=O)(=O)N2CC[C@@H](O)C2)cc1[N+](=O)[O-]	ZINC000184875676	396309477	/nfs/dbraw/zinc/30/94/77/396309477.db2.gz	VWERFRZSHJIVEA-MRVPVSSYSA-N	0	0	304.299	0.798	10	5		DCBERN
CNC(=O)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C	ZINC000185978003	396338484	/nfs/dbraw/zinc/33/84/84/396338484.db2.gz	IIBAVIJUULGMCC-LLVKDONJSA-N	0	0	315.351	0.644	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCNC(=O)[C@@H]1C	ZINC000188950326	396389406	/nfs/dbraw/zinc/38/94/06/396389406.db2.gz	HOLQHKCMORSICG-VIFPVBQESA-N	0	0	309.326	0.227	10	5		DCBERN
O=C(Cc1ccccc1[N+](=O)[O-])N1CCN2CCOC[C@@H]2C1	ZINC000374935796	396699523	/nfs/dbraw/zinc/69/95/23/396699523.db2.gz	ZQXWBJYIKHZEEN-ZDUSSCGKSA-N	0	0	305.334	0.680	10	5		DCBERN
CCN1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1=O	ZINC000302754851	396723468	/nfs/dbraw/zinc/72/34/68/396723468.db2.gz	WHSXSWXVHRIGER-UHFFFAOYSA-N	0	0	313.335	0.624	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1nccc(C)c1[N+](=O)[O-]	ZINC000596431799	396774492	/nfs/dbraw/zinc/77/44/92/396774492.db2.gz	CINITQSCVJFPBP-RKDXNWHRSA-N	0	0	301.324	0.522	10	5		DCBERN
CC(C)C(=O)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1	ZINC000611239236	396843514	/nfs/dbraw/zinc/84/35/14/396843514.db2.gz	TTZFUVQUTPJQOX-UHFFFAOYSA-N	0	0	318.337	0.942	10	5		DCBERN
Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C(=O)[C@H](C)O)CC2)n1	ZINC000611617468	396896451	/nfs/dbraw/zinc/89/64/51/396896451.db2.gz	YLAWXJRPVBZLKT-NSHDSACASA-N	0	0	308.338	0.636	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)n1	ZINC000619777322	397190904	/nfs/dbraw/zinc/19/09/04/397190904.db2.gz	DAZOLPJZWVIZBX-NSHDSACASA-N	0	0	322.321	0.631	10	5		DCBERN
O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC(n2ccnn2)C1	ZINC000364722293	397239011	/nfs/dbraw/zinc/23/90/11/397239011.db2.gz	NUHZZGKOSHFMBO-UHFFFAOYSA-N	0	0	313.277	0.760	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCOCC2(CCCC2)C1	ZINC000614119625	397385760	/nfs/dbraw/zinc/38/57/60/397385760.db2.gz	HEOBOHLDHPSEAL-UHFFFAOYSA-N	0	0	309.326	0.606	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc2c(c1)C(=O)NCC2	ZINC000609757871	397792039	/nfs/dbraw/zinc/79/20/39/397792039.db2.gz	ANSHZDIFEFZSCS-UHFFFAOYSA-N	0	0	316.277	0.111	10	5		DCBERN
CC(C)(NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(N)=O	ZINC000057258052	158025752	/nfs/dbraw/zinc/02/57/52/158025752.db2.gz	MXZWXKQAULMXSU-UHFFFAOYSA-N	0	0	317.305	0.774	10	5		DCBERN
C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])N1CCOCC1	ZINC000067291627	158039396	/nfs/dbraw/zinc/03/93/96/158039396.db2.gz	ZZHXJFQMWHSMDA-GFCCVEGCSA-N	0	0	322.365	0.844	10	5		DCBERN
CO[C@@H]1CC[C@H]2OCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@@H]2C1	ZINC000124347527	158240866	/nfs/dbraw/zinc/24/08/66/158240866.db2.gz	YFXXXXYKBYDQCC-FXPVBKGRSA-N	0	0	310.310	0.726	10	5		DCBERN
CS(=O)(=O)c1cc(N2CC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-]	ZINC000124660230	158244953	/nfs/dbraw/zinc/24/49/53/158244953.db2.gz	JVBBFEIEKKQXDL-QMMMGPOBSA-N	0	0	313.335	0.310	10	5		DCBERN
CS(=O)(=O)c1cc(N2CC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-]	ZINC000124660438	158245055	/nfs/dbraw/zinc/24/50/55/158245055.db2.gz	JVBBFEIEKKQXDL-MRVPVSSYSA-N	0	0	313.335	0.310	10	5		DCBERN
CCN(CC)C(=O)CN(C)c1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000124622895	158245536	/nfs/dbraw/zinc/24/55/36/158245536.db2.gz	XLCVGULGFFDBOP-UHFFFAOYSA-N	0	0	309.326	0.393	10	5		DCBERN
CNC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CCO1	ZINC000183997205	158504264	/nfs/dbraw/zinc/50/42/64/158504264.db2.gz	KNZXRXLFKXZINU-SECBINFHSA-N	0	0	313.335	0.552	10	5		DCBERN
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000249379395	158706823	/nfs/dbraw/zinc/70/68/23/158706823.db2.gz	QCJQNAAQKKXHHN-CWSCBRNRSA-N	0	0	322.321	0.591	10	5		DCBERN
CC(C)[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(N)=O	ZINC000107311408	415663938	/nfs/dbraw/zinc/66/39/38/415663938.db2.gz	JSPDRGPWDAWQBX-VIFPVBQESA-N	0	0	319.314	0.522	10	5		DCBERN
O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCc2ncnn2C1	ZINC000112654247	415710580	/nfs/dbraw/zinc/71/05/80/415710580.db2.gz	OFLPGPXDDGBYRO-JTQLQIEISA-N	0	0	316.321	0.729	10	5		DCBERN
CN1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1=O	ZINC000172617180	416048045	/nfs/dbraw/zinc/04/80/45/416048045.db2.gz	BZGDLKIULPTPJE-ZCFIWIBFSA-N	0	0	305.337	0.165	10	5		DCBERN
O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCCOC1	ZINC000171694206	416040944	/nfs/dbraw/zinc/04/09/44/416040944.db2.gz	ZFWQTWRFQXEPDX-SECBINFHSA-N	0	0	321.289	0.798	10	5		DCBERN
CN(C)C(=O)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000174650280	416084207	/nfs/dbraw/zinc/08/42/07/416084207.db2.gz	ZDOIWGNQDHZFER-UHFFFAOYSA-N	0	0	320.349	0.722	10	5		DCBERN
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc([N+](=O)[O-])c1N	ZINC000178169787	416157223	/nfs/dbraw/zinc/15/72/23/416157223.db2.gz	LEPKOAUQBANSFI-BDAKNGLRSA-N	0	0	306.322	0.903	10	5		DCBERN
CO[C@@H]1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1	ZINC000179298120	416184065	/nfs/dbraw/zinc/18/40/65/416184065.db2.gz	RMWBVYHBLUPGPL-JHJVBQTASA-N	0	0	324.337	0.586	10	5		DCBERN
CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)CCCOC)n1	ZINC000191826238	416290086	/nfs/dbraw/zinc/29/00/86/416290086.db2.gz	VVUPCVZEXWGBCD-UHFFFAOYSA-N	0	0	313.358	0.509	10	5		DCBERN
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](O)C(F)F	ZINC000435584343	416526286	/nfs/dbraw/zinc/52/62/86/416526286.db2.gz	NXYSMARGJFRCDY-SSDOTTSWSA-N	0	0	311.266	0.280	10	5		DCBERN
NC(=O)N[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1	ZINC000536481624	416542151	/nfs/dbraw/zinc/54/21/51/416542151.db2.gz	PLPIIJFYMXZMIW-JTQLQIEISA-N	0	0	307.310	0.547	10	5		DCBERN
COC(=O)c1cc(C)nc(NCCc2cncn2C)c1[N+](=O)[O-]	ZINC000553160194	416702946	/nfs/dbraw/zinc/70/29/46/416702946.db2.gz	ATKKFSPCQAMNKH-UHFFFAOYSA-N	0	0	319.321	1.473	10	5		DCBERN
CCN(CC(=O)OC)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443784183	416781738	/nfs/dbraw/zinc/78/17/38/416781738.db2.gz	YYYSPGMRRREWBN-UHFFFAOYSA-N	0	0	316.335	0.920	10	5		DCBERN
CO[C@@H]1COCC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1	ZINC000450698026	417261812	/nfs/dbraw/zinc/26/18/12/417261812.db2.gz	IXEXYPDAAYYSKT-NXEZZACHSA-N	0	0	307.310	1.101	10	5		DCBERN
CO[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)Cc1ccccc1	ZINC000452804126	287486856	/nfs/dbraw/zinc/48/68/56/287486856.db2.gz	BQRAXULQEJEADR-GFCCVEGCSA-N	0	0	319.321	0.560	10	5		DCBERN
CN(C(=O)CNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CCCCC1	ZINC000362603325	262051374	/nfs/dbraw/zinc/05/13/74/262051374.db2.gz	SJBOSSCPZCOLCU-UHFFFAOYSA-N	0	0	324.341	0.094	10	5		DCBERN
Cc1ccc2[nH]c(CNC(=O)Cn3cnc([N+](=O)[O-])n3)nc2c1	ZINC000362642147	262055079	/nfs/dbraw/zinc/05/50/79/262055079.db2.gz	QBZCNKFYYFDRSA-UHFFFAOYSA-N	0	0	315.293	0.687	10	5		DCBERN
CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])cn1	ZINC000362656050	262056524	/nfs/dbraw/zinc/05/65/24/262056524.db2.gz	KHJKJOKQDFMAAN-IUCAKERBSA-N	0	0	310.310	0.858	10	5		DCBERN
CC(=O)N1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@H](C)C1	ZINC000359020935	271091371	/nfs/dbraw/zinc/09/13/71/271091371.db2.gz	RYNBNTAMPJJFTP-SECBINFHSA-N	0	0	307.310	0.496	10	5		DCBERN
CO[C@H]1CC[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1	ZINC000530408815	287747636	/nfs/dbraw/zinc/74/76/36/287747636.db2.gz	CNMKLXIIMNCGGS-BDAKNGLRSA-N	0	0	301.324	0.836	10	5		DCBERN
CC(C)(C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)n1cc([N+](=O)[O-])cn1	ZINC000408185078	277124214	/nfs/dbraw/zinc/12/42/14/277124214.db2.gz	AYCQBCOZRNISBL-WCQGTBRESA-N	0	0	308.338	0.756	10	5		DCBERN
CC(C)N1C(=O)N[C@@H]2CN(c3c([N+](=O)[O-])ncn3C)CC[C@@H]21	ZINC000284654378	279470958	/nfs/dbraw/zinc/47/09/58/279470958.db2.gz	VPIYXXYGYCMZTQ-ZJUUUORDSA-N	0	0	308.342	0.709	10	5		DCBERN
CC(C)(NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(N)=O	ZINC000158498491	519306314	/nfs/dbraw/zinc/30/63/14/519306314.db2.gz	AJOPYMPECKEMEC-UHFFFAOYSA-N	0	0	304.306	0.999	10	5		DCBERN
CC(=O)NC1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1	ZINC000191478297	519648622	/nfs/dbraw/zinc/64/86/22/519648622.db2.gz	ATJJWCRLJNWACE-UHFFFAOYSA-N	0	0	306.322	0.621	10	5		DCBERN
COCC(=O)NC1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000189200999	522758479	/nfs/dbraw/zinc/75/84/79/522758479.db2.gz	QACOGWGZSRALGG-UHFFFAOYSA-N	0	0	307.306	0.111	10	5		DCBERN
CCc1n[nH]c(C(=O)N2CC(NC(=O)C3CC3)C2)c1[N+](=O)[O-]	ZINC000189046262	523665731	/nfs/dbraw/zinc/66/57/31/523665731.db2.gz	PFABSGSRKZDDBT-UHFFFAOYSA-N	0	0	307.310	0.231	10	5		DCBERN
CS(=O)(=O)NCCCNc1ncc([N+](=O)[O-])cc1Cl	ZINC000227648921	525191070	/nfs/dbraw/zinc/19/10/70/525191070.db2.gz	YPEVFPYBGNYKFR-UHFFFAOYSA-N	0	0	308.747	0.994	10	5		DCBERN
O=C(N[C@H]1CCCn2ncnc21)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000193682451	527042779	/nfs/dbraw/zinc/04/27/79/527042779.db2.gz	RCTDQCCYKHEPSR-QMMMGPOBSA-N	0	0	304.266	0.552	10	5		DCBERN
O=[N+]([O-])c1ccc(OC[C@H](O)C(F)(F)F)c(-n2cnnn2)c1	ZINC000158489537	527372823	/nfs/dbraw/zinc/37/28/23/527372823.db2.gz	WSVKYDYKWLCDNR-VIFPVBQESA-N	0	0	319.199	0.873	10	5		DCBERN
Cn1cccc1C(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000130084014	527389689	/nfs/dbraw/zinc/38/96/89/527389689.db2.gz	AJPUKDANOWRCOD-GXTWGEPZSA-N	0	0	319.317	0.758	10	5		DCBERN
CCCc1n[nH]c(C(=O)N[C@H](C(=O)NC)C(C)C)c1[N+](=O)[O-]	ZINC000178588800	528549307	/nfs/dbraw/zinc/54/93/07/528549307.db2.gz	XHISYJSWYCPQSC-VIFPVBQESA-N	0	0	311.342	0.771	10	5		DCBERN
Cn1cc(C(N)=O)cc1C(=O)OCCn1cc([N+](=O)[O-])cn1	ZINC000176829391	658058734	/nfs/dbraw/zinc/05/87/34/658058734.db2.gz	HUZRHYWFLIBRHL-UHFFFAOYSA-N	0	0	307.266	0.086	10	5		DCBERN
CCNC(=O)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1	ZINC000178138690	685149782	/nfs/dbraw/zinc/14/97/82/685149782.db2.gz	LHZMMJZKSDBPCI-UHFFFAOYSA-N	0	0	320.349	0.869	10	5		DCBERN
C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000168923844	1159078497	/nfs/dbraw/zinc/07/84/97/1159078497.db2.gz	RKIDJVBZBSYMAR-QMMMGPOBSA-N	0	0	303.340	0.529	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CN(S(C)(=O)=O)C1	ZINC000070817612	1173818210	/nfs/dbraw/zinc/81/82/10/1173818210.db2.gz	DTUNERNMEMQCNK-UHFFFAOYSA-N	0	0	313.335	0.733	10	5		DCBERN
O=C(N[C@@H]1CCC[C@H]1O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000132344176	1177523646	/nfs/dbraw/zinc/52/36/46/1177523646.db2.gz	VKBULUSUDQOKCC-ZWNOBZJWSA-N	0	0	317.305	0.819	10	5		DCBERN
O=C(NC[C@@H](O)CO)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000165756802	1183215021	/nfs/dbraw/zinc/21/50/21/1183215021.db2.gz	XRYHOZVWAMRMFJ-SECBINFHSA-N	0	0	319.111	0.440	10	5		DCBERN
O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1C[C@H](CO)[C@H](O)C1	ZINC000317661654	1190422715	/nfs/dbraw/zinc/42/27/15/1190422715.db2.gz	NAXUEJJBXDOFRX-RDDDGLTNSA-N	0	0	300.698	0.673	10	5		DCBERN
Nc1c(Cl)cc(C(=O)N[C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-]	ZINC000323293894	776030725	/nfs/dbraw/zinc/03/07/25/776030725.db2.gz	MLYHBURAWZEGKM-APPZFPTMSA-N	0	0	301.686	0.320	10	5		DCBERN
CCCc1n[nH]c(C(=O)N2CCO[C@]3(CCOC3)C2)c1[N+](=O)[O-]	ZINC000183827300	186221895	/nfs/dbraw/zinc/22/18/95/186221895.db2.gz	YWUBMMMZSSCJPJ-CQSZACIVSA-N	0	0	324.337	0.902	10	5		DCBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)[C@H](C)CO	ZINC000177792874	198778696	/nfs/dbraw/zinc/77/86/96/198778696.db2.gz	YZERTPRDYNTGOF-ZJUUUORDSA-N	0	0	309.322	0.975	10	5		DCBERN
CC[C@H](CO)N1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1	ZINC000180872859	199221773	/nfs/dbraw/zinc/22/17/73/199221773.db2.gz	NTZAWHAZJFUQMU-LLVKDONJSA-N	0	0	322.365	0.706	10	5		DCBERN
C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCN1CCO	ZINC000187274784	200087658	/nfs/dbraw/zinc/08/76/58/200087658.db2.gz	CCIRJJXESPYJHZ-SNVBAGLBSA-N	0	0	308.338	0.316	10	5		DCBERN
O=[N+]([O-])c1ccc(N[C@@H]2CS(=O)(=O)C[C@H]2O)c([N+](=O)[O-])c1	ZINC000016789857	182060960	/nfs/dbraw/zinc/06/09/60/182060960.db2.gz	NOWXTBJKXVUEJR-PSASIEDQSA-N	0	0	317.279	0.073	10	5		DCBERN
Nc1nnc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)s1	ZINC000020201587	182196992	/nfs/dbraw/zinc/19/69/92/182196992.db2.gz	GNTXEKBUKBOPCJ-UHFFFAOYSA-N	0	0	307.335	0.930	10	5		DCBERN
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000013541842	395688732	/nfs/dbraw/zinc/68/87/32/395688732.db2.gz	GMUZONCGCFZJPY-JTQLQIEISA-N	0	0	323.309	0.041	10	5		DCBERN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](c2cnn(C)c2)C1	ZINC000116113525	395842103	/nfs/dbraw/zinc/84/21/03/395842103.db2.gz	NOUVIYHXFJBJEI-NSHDSACASA-N	0	0	318.337	0.849	10	5		DCBERN
CS(=O)(=O)N[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1	ZINC000123034947	395891000	/nfs/dbraw/zinc/89/10/00/395891000.db2.gz	BMARKESJMUGXAX-SSDOTTSWSA-N	0	0	320.758	0.771	10	5		DCBERN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC[C@H]1CN1CCOCC1	ZINC000123192075	395891761	/nfs/dbraw/zinc/89/17/61/395891761.db2.gz	NMSQDHLSUPVFJV-NSHDSACASA-N	0	0	323.353	0.645	10	5		DCBERN
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000248867125	395999476	/nfs/dbraw/zinc/99/94/76/395999476.db2.gz	TZHCAUZPGXLIKA-GAFUQQFSSA-N	0	0	322.321	0.591	10	5		DCBERN
CO[C@H]1C[C@@H](c2nc(C)no2)N(c2ncc([N+](=O)[O-])c(N)n2)C1	ZINC000277594766	396076403	/nfs/dbraw/zinc/07/64/03/396076403.db2.gz	RNLXRRZDYKXXMN-YUMQZZPRSA-N	0	0	321.297	0.625	10	5		DCBERN
Cc1nc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])no1	ZINC000184576658	396299946	/nfs/dbraw/zinc/29/99/46/396299946.db2.gz	KNPPAILZYLQXKS-UHFFFAOYSA-N	0	0	312.307	0.906	10	5		DCBERN
CCN1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O	ZINC000191573377	396422131	/nfs/dbraw/zinc/42/21/31/396422131.db2.gz	COQCGNPYUVJYFQ-LBPRGKRZSA-N	0	0	309.322	0.456	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ncc(C)cc1[N+](=O)[O-]	ZINC000596432735	396774348	/nfs/dbraw/zinc/77/43/48/396774348.db2.gz	FERKHTVSCOCDLZ-WCBMZHEXSA-N	0	0	301.324	0.522	10	5		DCBERN
CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000596433527	396774555	/nfs/dbraw/zinc/77/45/55/396774555.db2.gz	HKOVZQTYWNWWIY-GXSJLCMTSA-N	0	0	304.299	0.958	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H](C[C@@H]2CCOC2)C1	ZINC000611355992	396857079	/nfs/dbraw/zinc/85/70/79/396857079.db2.gz	OMNAIBRCQQFRQB-NEPJUHHUSA-N	0	0	323.353	0.852	10	5		DCBERN
CCNC(=O)CN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000611032612	396809930	/nfs/dbraw/zinc/80/99/30/396809930.db2.gz	IDISCTBBPRZSAW-UHFFFAOYSA-N	0	0	315.351	0.493	10	5		DCBERN
CCNC(=O)C1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1	ZINC000611514760	396878040	/nfs/dbraw/zinc/87/80/40/396878040.db2.gz	REUCFXPUOFCYCO-UHFFFAOYSA-N	0	0	321.289	0.532	10	5		DCBERN
CCN1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O	ZINC000619797842	397193477	/nfs/dbraw/zinc/19/34/77/397193477.db2.gz	SZFFTOMIQDCVOX-LLVKDONJSA-N	0	0	313.335	0.494	10	5		DCBERN
CCC[C@@]1(COC)CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000487617343	397476371	/nfs/dbraw/zinc/47/63/71/397476371.db2.gz	JKMHTRKXYPXDPA-ZDUSSCGKSA-N	0	0	311.342	0.994	10	5		DCBERN
Cn1cnc([N+](=O)[O-])c1NCCCN1CCCS1(=O)=O	ZINC000608779321	397755645	/nfs/dbraw/zinc/75/56/45/397755645.db2.gz	XVLPDKBHEYCLDN-UHFFFAOYSA-N	0	0	303.344	0.166	10	5		DCBERN
CS(=O)(=O)N1CCCN(c2ccncc2[N+](=O)[O-])CC1	ZINC000608972597	397759311	/nfs/dbraw/zinc/75/93/11/397759311.db2.gz	ZEBUWVGKOBMYKW-UHFFFAOYSA-N	0	0	300.340	0.462	10	5		DCBERN
NC(=O)c1ccc(NC[C@H]2CN(C3CC3)CCO2)c([N+](=O)[O-])c1	ZINC000066745770	158037573	/nfs/dbraw/zinc/03/75/73/158037573.db2.gz	SIRVUCUFLSJPNG-LBPRGKRZSA-N	0	0	320.349	0.969	10	5		DCBERN
O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@@H]2c2nc[nH]n2)c1	ZINC000121761234	158214575	/nfs/dbraw/zinc/21/45/75/158214575.db2.gz	IUMLDQGBHYAARM-VXGBXAGGSA-N	0	0	321.341	0.498	10	5		DCBERN
Cc1sc(C(=O)N2CCN(CC(N)=O)CC2)cc1[N+](=O)[O-]	ZINC000171472614	158382735	/nfs/dbraw/zinc/38/27/35/158382735.db2.gz	BTGWJWDXILYJRJ-UHFFFAOYSA-N	0	0	312.351	0.208	10	5		DCBERN
CCc1nc2n(n1)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)CC2	ZINC000172258158	158391978	/nfs/dbraw/zinc/39/19/78/158391978.db2.gz	MPUFXGJVRAVDIM-SECBINFHSA-N	0	0	319.325	0.076	10	5		DCBERN
CCNC(=O)C1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000178123758	158453181	/nfs/dbraw/zinc/45/31/81/158453181.db2.gz	VSVRZBKJJPUUAE-UHFFFAOYSA-N	0	0	307.306	0.568	10	5		DCBERN
CNC(=O)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C	ZINC000185977983	158526085	/nfs/dbraw/zinc/52/60/85/158526085.db2.gz	IIBAVIJUULGMCC-NSHDSACASA-N	0	0	315.351	0.644	10	5		DCBERN
C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1N1CCOCC1	ZINC000408052987	160024249	/nfs/dbraw/zinc/02/42/49/160024249.db2.gz	NDNIJCPPQDBXPU-PWSUYJOCSA-N	0	0	323.353	0.121	10	5		DCBERN
CN1CCOC[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000408053993	160024588	/nfs/dbraw/zinc/02/45/88/160024588.db2.gz	JSOIFLKGZSFGPQ-ZDUSSCGKSA-N	0	0	306.322	0.205	10	5		DCBERN
Cc1nn(C)c(C(=O)N2CCC[C@@H]2C(=O)N(C)C)c1[N+](=O)[O-]	ZINC000408071745	160029220	/nfs/dbraw/zinc/02/92/20/160029220.db2.gz	LGXAMQURBJOELN-SECBINFHSA-N	0	0	309.326	0.330	10	5		DCBERN
Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@](O)(C(F)(F)F)C2)n1	ZINC000408095660	160035210	/nfs/dbraw/zinc/03/52/10/160035210.db2.gz	OZHZGDHWZVSBLN-SECBINFHSA-N	0	0	308.216	0.468	10	5		DCBERN
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1N1CCOCC1	ZINC000408233494	160065753	/nfs/dbraw/zinc/06/57/53/160065753.db2.gz	VDRRZIPYMHSOPS-GXFFZTMASA-N	0	0	308.338	0.716	10	5		DCBERN
CCCC(=O)N[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000195406091	287063024	/nfs/dbraw/zinc/06/30/24/287063024.db2.gz	DSLYSXLHEQFRKL-NSHDSACASA-N	0	0	323.353	0.699	10	5		DCBERN
CN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCC1=O	ZINC000133580729	415947691	/nfs/dbraw/zinc/94/76/91/415947691.db2.gz	BRICRDFWHJXXEE-VIFPVBQESA-N	0	0	322.277	0.854	10	5		DCBERN
O=[N+]([O-])c1ccc(OC[C@@H](O)C(F)(F)F)c(-n2cnnn2)c1	ZINC000158489679	415999837	/nfs/dbraw/zinc/99/98/37/415999837.db2.gz	WSVKYDYKWLCDNR-SECBINFHSA-N	0	0	319.199	0.873	10	5		DCBERN
CC(C)C(=O)N1CCC[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000164419515	416016572	/nfs/dbraw/zinc/01/65/72/416016572.db2.gz	NCNHXTPZQGVWEU-LBPRGKRZSA-N	0	0	323.353	0.555	10	5		DCBERN
C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N1CCCCC1=O	ZINC000357686905	416116492	/nfs/dbraw/zinc/11/64/92/416116492.db2.gz	GMMTXBOHOIVTNL-VIFPVBQESA-N	0	0	321.337	0.902	10	5		DCBERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000177679975	416150174	/nfs/dbraw/zinc/15/01/74/416150174.db2.gz	WQZJOLCXHZGMDF-SNVBAGLBSA-N	0	0	305.298	0.343	10	5		DCBERN
CNC(=O)[C@H](NC(=O)CCn1cc([N+](=O)[O-])nc1C)C(C)C	ZINC000178683550	416169135	/nfs/dbraw/zinc/16/91/35/416169135.db2.gz	OKGUNAPBSAXQLD-GFCCVEGCSA-N	0	0	311.342	0.377	10	5		DCBERN
Cc1c(NC(=O)[C@H](C)N2CC(=O)N(C)C2)cccc1[N+](=O)[O-]	ZINC000360505301	416393849	/nfs/dbraw/zinc/39/38/49/416393849.db2.gz	UDBUHOFONUUEOU-JTQLQIEISA-N	0	0	306.322	0.962	10	5		DCBERN
O=[N+]([O-])c1cnc2ccc(N[C@H]3CCO[C@@]4(CCOC4)C3)nn21	ZINC000362362942	416567326	/nfs/dbraw/zinc/56/73/26/416567326.db2.gz	XEZCFEKLRHHZMM-HZMBPMFUSA-N	0	0	319.321	1.388	10	5		DCBERN
CCn1nc(C)c(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c1C	ZINC000524057946	417096686	/nfs/dbraw/zinc/09/66/86/417096686.db2.gz	PQMMSKUGKHBPIX-UHFFFAOYSA-N	0	0	307.314	0.336	10	5		DCBERN
COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CCO)[C@@H](C)C2)c1	ZINC000187262583	261122620	/nfs/dbraw/zinc/12/26/20/261122620.db2.gz	SZEPNJSABVHLAJ-NSHDSACASA-N	0	0	323.349	0.742	10	5		DCBERN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCOC[C@H]1c1ccccc1	ZINC000362331341	262022734	/nfs/dbraw/zinc/02/27/34/262022734.db2.gz	BUWSFOBALVHJSZ-LBPRGKRZSA-N	0	0	317.305	0.786	10	5		DCBERN
CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1ncccc1[N+](=O)[O-]	ZINC000362662088	262056878	/nfs/dbraw/zinc/05/68/78/262056878.db2.gz	HHVMSPNOJCWSRP-DTWKUNHWSA-N	0	0	310.310	0.858	10	5		DCBERN
CCc1n[nH]c(C(=O)N2CCN3CCOC[C@@H]3C2)c1[N+](=O)[O-]	ZINC000364005842	262140261	/nfs/dbraw/zinc/14/02/61/262140261.db2.gz	YHCHRRVBHSQYFG-VIFPVBQESA-N	0	0	309.326	0.037	10	5		DCBERN
COC(=O)Cc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1	ZINC000358640667	271060087	/nfs/dbraw/zinc/06/00/87/271060087.db2.gz	XFNAEABDVKZOLD-UHFFFAOYSA-N	0	0	319.277	0.541	10	5		DCBERN
Cc1cc(CCNS(=O)(=O)c2cccnc2[N+](=O)[O-])on1	ZINC000552121920	288265675	/nfs/dbraw/zinc/26/56/75/288265675.db2.gz	SWAVTWACDSTWNO-UHFFFAOYSA-N	0	0	312.307	0.807	10	5		DCBERN
O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1c[nH]nc1[N+](=O)[O-]	ZINC000555346360	288349518	/nfs/dbraw/zinc/34/95/18/288349518.db2.gz	CLPWJHPKYWKJEK-GXSJLCMTSA-N	0	0	324.337	0.615	10	5		DCBERN
COCC(=O)NC1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1	ZINC000189201031	522761190	/nfs/dbraw/zinc/76/11/90/522761190.db2.gz	KAFRZGCRNZHMPH-UHFFFAOYSA-N	0	0	311.269	0.321	10	5		DCBERN
COCC(=O)NC1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1	ZINC000186311897	522762648	/nfs/dbraw/zinc/76/26/48/522762648.db2.gz	RRJHQMPNCRQFGN-UHFFFAOYSA-N	0	0	307.306	0.490	10	5		DCBERN
COc1ccc(C(=O)NCC(=O)N[C@@H]2C[C@H]2C)cc1[N+](=O)[O-]	ZINC000170807655	523689308	/nfs/dbraw/zinc/68/93/08/523689308.db2.gz	SFGHTNHZJMITKP-PSASIEDQSA-N	0	0	307.306	0.858	10	5		DCBERN
O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCC[C@H]1CO	ZINC000161780638	526467253	/nfs/dbraw/zinc/46/72/53/526467253.db2.gz	AKUQZPXGRGLQBH-CMPLNLGQSA-N	0	0	311.342	0.642	10	5		DCBERN
O=C(CNc1ccccc1[N+](=O)[O-])N1CC(NC(=O)C2CC2)C1	ZINC000189393255	526900625	/nfs/dbraw/zinc/90/06/25/526900625.db2.gz	LLVSAAFIVNGMFC-UHFFFAOYSA-N	0	0	318.333	0.744	10	5		DCBERN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](Cn2cncn2)C1	ZINC000162509481	526914024	/nfs/dbraw/zinc/91/40/24/526914024.db2.gz	FVXIAEVOMYHNQT-VIFPVBQESA-N	0	0	305.298	0.462	10	5		DCBERN
CCOC(=O)C(C)(C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000173461507	528558486	/nfs/dbraw/zinc/55/84/86/528558486.db2.gz	XOIJETUNKBBGGZ-SNVBAGLBSA-N	0	0	300.315	0.084	10	5		DCBERN
C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)C(N)=O	ZINC000045625550	664437236	/nfs/dbraw/zinc/43/72/36/664437236.db2.gz	IJKDIDVUYHUIFG-RXMQYKEDSA-N	0	0	316.111	0.961	10	5		DCBERN
CN(CCOC(=O)[C@H]1CNC(=O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000171498483	664609192	/nfs/dbraw/zinc/60/91/92/664609192.db2.gz	RAHHHQHGUHDSDV-SNVBAGLBSA-N	0	0	307.306	0.710	10	5		DCBERN
Cc1noc([C@H](C)N2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)n1	ZINC000152641030	664767380	/nfs/dbraw/zinc/76/73/80/664767380.db2.gz	UNUYGHHDBQXRGF-JTQLQIEISA-N	0	0	321.341	0.819	10	5		DCBERN
CCN1C[C@H](COC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1=O	ZINC000123806734	667854387	/nfs/dbraw/zinc/85/43/87/667854387.db2.gz	MRCMUDMTGJINTC-LLVKDONJSA-N	0	0	324.337	0.901	10	5		DCBERN
O=C(Cn1ccc([N+](=O)[O-])n1)OCCN1CCSCC1	ZINC000127291493	668915219	/nfs/dbraw/zinc/91/52/19/668915219.db2.gz	QEFKAXDPDVMRTA-UHFFFAOYSA-N	0	0	300.340	0.383	10	5		DCBERN
O=C(Cc1ccc([N+](=O)[O-])cc1)NCCn1cnccc1=O	ZINC000585238195	1158110769	/nfs/dbraw/zinc/11/07/69/1158110769.db2.gz	SIFXWLYSKWRQDS-UHFFFAOYSA-N	0	0	302.290	0.510	10	5		DCBERN
CC[C@H](C)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O	ZINC000248266021	1183393298	/nfs/dbraw/zinc/39/32/98/1183393298.db2.gz	OFFCNCJIQWIOTD-KWQFWETISA-N	0	0	315.351	0.773	10	5		DCBERN
O=[N+]([O-])c1cc(Br)cnc1N1C[C@H](CO)[C@H](O)C1	ZINC000317332269	1190421137	/nfs/dbraw/zinc/42/11/37/1190421137.db2.gz	CJHRCCAHSSQGCB-HZGVNTEJSA-N	0	0	318.127	0.542	10	5		DCBERN
CS(=O)(=O)c1ccc(N[C@@H]2COC[C@H]2O)c([N+](=O)[O-])c1	ZINC000323156115	1190445642	/nfs/dbraw/zinc/44/56/42/1190445642.db2.gz	GRLMTPLELDDYOW-MWLCHTKSSA-N	0	0	302.308	0.170	10	5		DCBERN