smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)CC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001093539070	810664848	/nfs/dbraw/zinc/66/48/48/810664848.db2.gz	SWXCBGFMXHMKPP-UHFFFAOYSA-N	-1	3	283.244	-0.901	20	5		CBBDHM
COc1ncnc(-n2[n-]c(=O)nc2CN)c1[N+](=O)[O-]	ZINC001157933701	815486528	/nfs/dbraw/zinc/48/65/28/815486528.db2.gz	HYRBDNYDFDOONO-UHFFFAOYSA-N	-1	3	267.205	-0.862	20	5		CBBDHM
Cc1[n-][nH]c(=O)c1CCNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC001136654048	814566176	/nfs/dbraw/zinc/56/61/76/814566176.db2.gz	PRCFOLBIRZMIPA-SECBINFHSA-N	-1	3	294.271	-0.581	20	5		CBBDHM
O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](c2nnn[n-]2)C1	ZINC001302936431	816758857	/nfs/dbraw/zinc/75/88/57/816758857.db2.gz	HWTIHPSHHAZFAY-RRKCRQDMSA-N	-1	3	252.234	-0.819	20	5		CBBDHM
COc1ncc([N+](=O)[O-])c(-n2[n-]c(=O)nc2CN)n1	ZINC001168755344	820174841	/nfs/dbraw/zinc/17/48/41/820174841.db2.gz	AAYNTDXKJXQQCQ-UHFFFAOYSA-N	-1	3	267.205	-0.862	20	5		CBBDHM
COc1ccnc(-n2[n-]c(=O)nc2CN)c1[N+](=O)[O-]	ZINC001168756327	820176176	/nfs/dbraw/zinc/17/61/76/820176176.db2.gz	PLHTWQZLYMEJEF-UHFFFAOYSA-N	-1	3	266.217	-0.257	20	5		CBBDHM
NS(=O)(=O)[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1	ZINC001328010652	885554619	/nfs/dbraw/zinc/55/46/19/885554619.db2.gz	ROIBMMQFXAASEX-ZCFIWIBFSA-N	-1	3	288.285	-0.437	20	5		CBBDHM
CN1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C(=O)[O-])C1	ZINC001328606408	885741379	/nfs/dbraw/zinc/74/13/79/885741379.db2.gz	JRXQKDYLTQGGFW-ZETCQYMHSA-N	-1	3	296.287	-0.580	20	5		CBBDHM
NC(=O)CN1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1	ZINC001333673517	887739390	/nfs/dbraw/zinc/73/93/90/887739390.db2.gz	FLPLDGYUOVBMKK-UHFFFAOYSA-N	-1	3	281.272	-0.697	20	5		CBBDHM
O=C([C@@H]1CC1[N+](=O)[O-])N1CCSC[C@H]1c1nnn[n-]1	ZINC001448015792	913191288	/nfs/dbraw/zinc/19/12/88/913191288.db2.gz	HAULEZIKRKFOGP-QYNIQEEDSA-N	-1	3	284.301	-0.519	20	5		CBBDHM
O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ncccc1[O-]	ZINC001522599632	922480273	/nfs/dbraw/zinc/48/02/73/922480273.db2.gz	HTQKMVKTLQVVFC-HTQZYQBOSA-N	-1	3	294.267	-0.702	20	5		CBBDHM
Cn1ncc([N+](=O)[O-])c1C(=O)NCCCc1c[n-][nH]c1=O	ZINC001557701095	924129467	/nfs/dbraw/zinc/12/94/67/924129467.db2.gz	GQZMSSIGAYYJQC-SSDOTTSWSA-N	-1	3	294.271	-0.430	20	5		CBBDHM
O=C(Cn1ccc([N+](=O)[O-])n1)NCCCc1c[n-][nH]c1=O	ZINC001557702119	924130597	/nfs/dbraw/zinc/13/05/97/924130597.db2.gz	STAMLEWTQZTHPX-MRVPVSSYSA-N	-1	3	294.271	-0.581	20	5		CBBDHM
CN(C)CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000188041997	352146684	/nfs/dbraw/zinc/14/66/84/352146684.db2.gz	UNFSNWNTBPWKQB-UHFFFAOYSA-N	-1	3	254.246	-0.013	20	5		CBBDHM
COc1cc(CNC[C@H](O)CO)c([N+](=O)[O-])cc1[O-]	ZINC000276704294	352560989	/nfs/dbraw/zinc/56/09/89/352560989.db2.gz	FRYKCWJDVKQTHQ-QMMMGPOBSA-N	-1	3	272.257	-0.248	20	5		CBBDHM
NC(=O)[C@H](CO)[N-]c1nc2sccn2c1[N+](=O)[O-]	ZINC000286288421	352641099	/nfs/dbraw/zinc/64/10/99/352641099.db2.gz	IOMKCTZHCXLSPM-BYPYZUCNSA-N	-1	3	271.258	-0.438	20	5		CBBDHM
NC(=O)C1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000156666785	188275290	/nfs/dbraw/zinc/27/52/90/188275290.db2.gz	GSILABOOXPBKHP-UHFFFAOYSA-N	-1	3	285.281	-0.109	20	5		CBBDHM
COc1nnc(NC(=O)c2cc([N+](=O)[O-])cnc2N)[n-]1	ZINC000353957703	353535959	/nfs/dbraw/zinc/53/59/59/353535959.db2.gz	BVKKHHDFNPRLTD-UHFFFAOYSA-N	-1	3	279.216	-0.049	20	5		CBBDHM
COc1nc(NC(=O)c2cc([N+](=O)[O-])cnc2N)n[n-]1	ZINC000353957703	353535963	/nfs/dbraw/zinc/53/59/63/353535963.db2.gz	BVKKHHDFNPRLTD-UHFFFAOYSA-N	-1	3	279.216	-0.049	20	5		CBBDHM
COc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])cnc2N)n1	ZINC000353957703	353535965	/nfs/dbraw/zinc/53/59/65/353535965.db2.gz	BVKKHHDFNPRLTD-UHFFFAOYSA-N	-1	3	279.216	-0.049	20	5		CBBDHM
CN1CC[C@](O)(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1	ZINC000445207102	354281127	/nfs/dbraw/zinc/28/11/27/354281127.db2.gz	BTWBDDAQXJXPGG-LBPRGKRZSA-N	-1	3	296.283	-0.508	20	5		CBBDHM
CN(C)C[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000588864643	355062138	/nfs/dbraw/zinc/06/21/38/355062138.db2.gz	KQOYVCCFTIFLEY-QMMMGPOBSA-N	-1	3	283.284	-0.047	20	5		CBBDHM
CN(C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000588865170	355062436	/nfs/dbraw/zinc/06/24/36/355062436.db2.gz	XMSSTLLEFCDXLJ-MRVPVSSYSA-N	-1	3	283.284	-0.047	20	5		CBBDHM
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(N)=O	ZINC000593532283	355208767	/nfs/dbraw/zinc/20/87/67/355208767.db2.gz	ZVYUPQYLYWNFSA-YFKPBYRVSA-N	-1	3	274.258	-0.858	20	5		CBBDHM
C[C@@H](CO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593550242	355209902	/nfs/dbraw/zinc/20/99/02/355209902.db2.gz	RUJDGECBDSALDT-SSDOTTSWSA-N	-1	3	275.286	-0.104	20	5		CBBDHM
COC[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593589983	355210385	/nfs/dbraw/zinc/21/03/85/355210385.db2.gz	WIABHZJCALHKCW-ZETCQYMHSA-N	-1	3	291.285	-0.725	20	5		CBBDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(N)=O	ZINC000593596525	355211384	/nfs/dbraw/zinc/21/13/84/355211384.db2.gz	DCPOQTXJVNJODY-SSDOTTSWSA-N	-1	3	288.285	-0.468	20	5		CBBDHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(CO)CC2)nc1	ZINC000595317907	355281768	/nfs/dbraw/zinc/28/17/68/355281768.db2.gz	GJGCGNCAOTXWSF-UHFFFAOYSA-N	-1	3	273.270	-0.207	20	5		CBBDHM
Cc1noc(CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1[N+](=O)[O-]	ZINC000595404207	355285369	/nfs/dbraw/zinc/28/53/69/355285369.db2.gz	OOGJFIPXHHXCIH-SSDOTTSWSA-N	-1	3	295.255	-0.373	20	5		CBBDHM
COC(=O)CN1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1	ZINC000596071038	355340902	/nfs/dbraw/zinc/34/09/02/355340902.db2.gz	WJFGWCXGJBRYLW-UHFFFAOYSA-N	-1	3	296.283	-0.010	20	5		CBBDHM
CN1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1=O	ZINC000596136261	355344886	/nfs/dbraw/zinc/34/48/86/355344886.db2.gz	RFZDSPHXSGCSKY-UHFFFAOYSA-N	-1	3	252.230	-0.026	20	5		CBBDHM
O=C(NCc1cn[nH]n1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000618381946	356188871	/nfs/dbraw/zinc/18/88/71/356188871.db2.gz	QRBLEYYEOVZLSI-UHFFFAOYSA-N	-1	3	264.201	-0.257	20	5		CBBDHM
O=C(NCc1c[nH]nn1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000618381946	356188873	/nfs/dbraw/zinc/18/88/73/356188873.db2.gz	QRBLEYYEOVZLSI-UHFFFAOYSA-N	-1	3	264.201	-0.257	20	5		CBBDHM
Cc1[n-][nH]c(=O)c1CCNc1ncc([N+](=O)[O-])c(N)n1	ZINC000609620274	420494367	/nfs/dbraw/zinc/49/43/67/420494367.db2.gz	DTJPPKRXCSELSF-LURJTMIESA-N	-1	3	279.260	-0.687	20	5		CBBDHM
C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C(N)=O	ZINC000119375783	582117496	/nfs/dbraw/zinc/11/74/96/582117496.db2.gz	AWXQNOHJNXSXGS-BYPYZUCNSA-N	-1	3	279.299	-0.192	20	5		CBBDHM
CCCc1n[nH]c(C(=O)[N-]OCCO)c1[N+](=O)[O-]	ZINC000776582361	582355379	/nfs/dbraw/zinc/35/53/79/582355379.db2.gz	SPUKKUAXMFCULU-UHFFFAOYSA-N	-1	3	258.234	-0.076	20	5		CBBDHM
O=C([N-]OCCO)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000787286113	582381047	/nfs/dbraw/zinc/38/10/47/582381047.db2.gz	ADRUVXYLWJGUBF-UHFFFAOYSA-N	-1	3	270.197	-0.023	20	5		CBBDHM
O=C1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCN1	ZINC000823535926	582672754	/nfs/dbraw/zinc/67/27/54/582672754.db2.gz	MNSSASVVYIWTQR-UHFFFAOYSA-N	-1	3	290.243	-0.894	20	5		CBBDHM
O=C1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCN1	ZINC000823535926	582672757	/nfs/dbraw/zinc/67/27/57/582672757.db2.gz	MNSSASVVYIWTQR-UHFFFAOYSA-N	-1	3	290.243	-0.894	20	5		CBBDHM
C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1O	ZINC000824999986	582718711	/nfs/dbraw/zinc/71/87/11/582718711.db2.gz	LYXYBFKZBCJCDO-IMTBSYHQSA-N	-1	3	291.271	-0.013	20	5		CBBDHM
C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1O	ZINC000824999986	582718715	/nfs/dbraw/zinc/71/87/15/582718715.db2.gz	LYXYBFKZBCJCDO-IMTBSYHQSA-N	-1	3	291.271	-0.013	20	5		CBBDHM
O=C([O-])N[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000832386796	583023382	/nfs/dbraw/zinc/02/33/82/583023382.db2.gz	MULTZLLTNZBDOU-WPRPVWTQSA-N	-1	3	299.287	-0.506	20	5		CBBDHM
O=C1OCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000845793757	583336069	/nfs/dbraw/zinc/33/60/69/583336069.db2.gz	LDSMRNMOAWHFCS-ZETCQYMHSA-N	-1	3	287.253	-0.416	20	5		CBBDHM
CNC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000845800042	583337937	/nfs/dbraw/zinc/33/79/37/583337937.db2.gz	XLZHMQMBUCXGII-UHFFFAOYSA-N	-1	3	274.258	-0.986	20	5		CBBDHM
NC(=O)C1=NO[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1	ZINC000853512851	583583551	/nfs/dbraw/zinc/58/35/51/583583551.db2.gz	NTEPQKKZMYLRTO-RXMQYKEDSA-N	-1	3	281.228	-0.263	20	5		CBBDHM
O=c1[n-]ccc(NCCn2cnnn2)c1[N+](=O)[O-]	ZINC000853709187	583588639	/nfs/dbraw/zinc/58/86/39/583588639.db2.gz	FXMGIHSUKWXRBZ-UHFFFAOYSA-N	-1	3	251.206	-0.206	20	5		CBBDHM
NC(=O)CO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000180375340	656090989	/nfs/dbraw/zinc/09/09/89/656090989.db2.gz	PJOKBGMLTLOZLF-UHFFFAOYSA-N	-1	3	253.214	-0.330	20	5		CBBDHM
CN1C(=O)[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]2C1=O	ZINC001163936044	819869619	/nfs/dbraw/zinc/86/96/19/819869619.db2.gz	RCCLKROCCMKQHN-KNVOCYPGSA-N	-1	3	292.251	-0.254	20	5		CBBDHM
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](Cc2nnn[n-]2)C1	ZINC001177869903	820546340	/nfs/dbraw/zinc/54/63/40/820546340.db2.gz	FICKITCWKUISOQ-IWSPIJDZSA-N	-1	3	280.288	-0.354	20	5		CBBDHM
CN(C)CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC001349308802	890792011	/nfs/dbraw/zinc/79/20/11/890792011.db2.gz	ZFUMJEHRNAYDEX-UHFFFAOYSA-N	-1	3	285.260	-0.594	20	5		CBBDHM
O=C1NC(=O)[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]12	ZINC001327715824	885459268	/nfs/dbraw/zinc/45/92/68/885459268.db2.gz	YYFADAYVSYXXMS-OLQVQODUSA-N	-1	3	278.224	-0.596	20	5		CBBDHM
CNC(=O)[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1	ZINC001330043299	886339006	/nfs/dbraw/zinc/33/90/06/886339006.db2.gz	QXPZCBBFBJDRCK-QMMMGPOBSA-N	-1	3	282.256	-0.353	20	5		CBBDHM
O=c1[n-]ccc(N2CC[C@@H](CO)[C@@H](O)C2)c1[N+](=O)[O-]	ZINC001333710849	887748972	/nfs/dbraw/zinc/74/89/72/887748972.db2.gz	XISDAIODZXVHNN-CBAPKCEASA-N	-1	3	269.257	-0.125	20	5		CBBDHM
O=C1NC[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CCN12	ZINC001333706874	887749818	/nfs/dbraw/zinc/74/98/18/887749818.db2.gz	GEXQFDMZYIXTHT-ZETCQYMHSA-N	-1	3	279.256	-0.091	20	5		CBBDHM
Cn1ncc([N+](=O)[O-])c1C(=O)NCCCc1c[n-][nH]c1=O	ZINC001557701096	924129233	/nfs/dbraw/zinc/12/92/33/924129233.db2.gz	GQZMSSIGAYYJQC-ZETCQYMHSA-N	-1	3	294.271	-0.430	20	5		CBBDHM
COc1nnc(NC(=O)Cn2ccc([N+](=O)[O-])n2)[n-]1	ZINC000126816108	187264072	/nfs/dbraw/zinc/26/40/72/187264072.db2.gz	RNQDPGJITGDDLP-UHFFFAOYSA-N	-1	3	267.205	-0.443	20	5		CBBDHM
COc1nc(NC(=O)Cn2ccc([N+](=O)[O-])n2)n[n-]1	ZINC000126816108	187264074	/nfs/dbraw/zinc/26/40/74/187264074.db2.gz	RNQDPGJITGDDLP-UHFFFAOYSA-N	-1	3	267.205	-0.443	20	5		CBBDHM
COc1n[n-]c(NC(=O)Cn2ccc([N+](=O)[O-])n2)n1	ZINC000126816108	187264076	/nfs/dbraw/zinc/26/40/76/187264076.db2.gz	RNQDPGJITGDDLP-UHFFFAOYSA-N	-1	3	267.205	-0.443	20	5		CBBDHM
C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O	ZINC000010518415	351329992	/nfs/dbraw/zinc/32/99/92/351329992.db2.gz	JGLICGWVWBQYCQ-ZCFIWIBFSA-N	-1	3	273.270	-0.253	20	5		CBBDHM
O=C1[N-]C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)C[C@H]12	ZINC000351902567	353477565	/nfs/dbraw/zinc/47/75/65/353477565.db2.gz	ZYOUQBQGCSPHAP-MRVPVSSYSA-N	-1	3	277.240	-0.270	20	5		CBBDHM
O=C(NCCn1cc([N+](=O)[O-])cn1)c1c[n-]nn1	ZINC000492890415	354483759	/nfs/dbraw/zinc/48/37/59/354483759.db2.gz	LVGGLGKNTJTYFA-UHFFFAOYSA-N	-1	3	251.206	-0.661	20	5		CBBDHM
O=C(NCCn1cc([N+](=O)[O-])cn1)c1cnn[n-]1	ZINC000492890415	354483763	/nfs/dbraw/zinc/48/37/63/354483763.db2.gz	LVGGLGKNTJTYFA-UHFFFAOYSA-N	-1	3	251.206	-0.661	20	5		CBBDHM
O=C(NCCn1cc([N+](=O)[O-])cn1)c1cn[n-]n1	ZINC000492890415	354483765	/nfs/dbraw/zinc/48/37/65/354483765.db2.gz	LVGGLGKNTJTYFA-UHFFFAOYSA-N	-1	3	251.206	-0.661	20	5		CBBDHM
CO[C@H]1C[C@H](C(=O)[O-])N(CCn2ccc([N+](=O)[O-])n2)C1	ZINC000568067126	354809335	/nfs/dbraw/zinc/80/93/35/354809335.db2.gz	MXEDICLMCNDOBQ-DTWKUNHWSA-N	-1	3	284.272	-0.035	20	5		CBBDHM
CN(C)C[C@H](CO)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000590369825	355076366	/nfs/dbraw/zinc/07/63/66/355076366.db2.gz	OMYGQKNMYHAQPE-MRVPVSSYSA-N	-1	3	284.272	-0.652	20	5		CBBDHM
CN(C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000588866124	355061935	/nfs/dbraw/zinc/06/19/35/355061935.db2.gz	AHXYJRDJERFGMX-VIFPVBQESA-N	-1	3	283.284	-0.047	20	5		CBBDHM
O=C(Cn1ccc([N+](=O)[O-])n1)NCCCc1cc(=O)[nH][n-]1	ZINC000588875846	355062152	/nfs/dbraw/zinc/06/21/52/355062152.db2.gz	IRTBCRSDQXVHDM-UHFFFAOYSA-N	-1	3	294.271	-0.436	20	5		CBBDHM
COC[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593593090	355211370	/nfs/dbraw/zinc/21/13/70/355211370.db2.gz	QNPFXGNOVVBNQW-MRVPVSSYSA-N	-1	3	291.285	-0.725	20	5		CBBDHM
O=C1NCC[C@@H]1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000594792593	355262360	/nfs/dbraw/zinc/26/23/60/355262360.db2.gz	UJALWLBERNKJHE-VIFPVBQESA-N	-1	3	299.308	-0.097	20	5		CBBDHM
O=C1NCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000594789782	355262378	/nfs/dbraw/zinc/26/23/78/355262378.db2.gz	FKBBUICTFFLVAV-ZETCQYMHSA-N	-1	3	286.269	-0.843	20	5		CBBDHM
O=C(CO)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1	ZINC000596180445	355347275	/nfs/dbraw/zinc/34/72/75/355347275.db2.gz	SSUDEERYQYDDQS-UHFFFAOYSA-N	-1	3	282.256	-0.664	20	5		CBBDHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2COC2)nc1	ZINC000599489190	355493524	/nfs/dbraw/zinc/49/35/24/355493524.db2.gz	RHAKAISBJLTDJS-UHFFFAOYSA-N	-1	3	273.270	-0.086	20	5		CBBDHM
CN(C)CC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599202731	355472162	/nfs/dbraw/zinc/47/21/62/355472162.db2.gz	GGCBFJARCHPOKL-UHFFFAOYSA-N	-1	3	277.306	-0.832	20	5		CBBDHM
Cc1nn(C)c(N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1[N+](=O)[O-]	ZINC000611509876	355803768	/nfs/dbraw/zinc/80/37/68/355803768.db2.gz	IKVFXEUWRBIWHJ-SSDOTTSWSA-N	-1	3	294.271	-0.623	20	5		CBBDHM
O=C(CN1CC(=O)[N-]C1=O)NCc1ccccc1[N+](=O)[O-]	ZINC000264831110	190137312	/nfs/dbraw/zinc/13/73/12/190137312.db2.gz	JFHOHRQMDGNDQD-UHFFFAOYSA-N	-1	3	292.251	-0.237	20	5		CBBDHM
Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000427137710	208055083	/nfs/dbraw/zinc/05/50/83/208055083.db2.gz	UBAYVIIASLJESW-UHFFFAOYSA-N	-1	3	294.227	-0.060	20	5		CBBDHM
O=C1[N-]C(=O)N2CCN(c3ccncc3[N+](=O)[O-])C[C@H]12	ZINC000361072084	420020209	/nfs/dbraw/zinc/02/02/09/420020209.db2.gz	BVOUYSBGZGRUBM-SECBINFHSA-N	-1	3	277.240	-0.270	20	5		CBBDHM
Cc1[n-][nH]c(=O)c1CCNc1ncc([N+](=O)[O-])cn1	ZINC000546886133	420417941	/nfs/dbraw/zinc/41/79/41/420417941.db2.gz	FYMMQYIHWUTUTB-MRVPVSSYSA-N	-1	3	264.245	0.309	20	5		CBBDHM
O=C1[N-]C(=O)N2CCN(c3ncccc3[N+](=O)[O-])C[C@@H]12	ZINC000351882336	280279151	/nfs/dbraw/zinc/27/91/51/280279151.db2.gz	FQZJQNURYYBGPF-QMMMGPOBSA-N	-1	3	277.240	-0.270	20	5		CBBDHM
NC(=O)CO[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000271417714	303252867	/nfs/dbraw/zinc/25/28/67/303252867.db2.gz	PLHYHWPXIQYPAP-UHFFFAOYSA-N	-1	3	297.223	-0.487	20	5		CBBDHM
O=C(NN1CC(=O)[N-]C1=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000731453504	582153170	/nfs/dbraw/zinc/15/31/70/582153170.db2.gz	IJYDORMCIDTXMN-UHFFFAOYSA-N	-1	3	282.187	-0.070	20	5		CBBDHM
C[S@@](=O)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1	ZINC000737172160	582235640	/nfs/dbraw/zinc/23/56/40/582235640.db2.gz	GYYOQEAVWSBUNW-HXUWFJFHSA-N	-1	3	297.300	-0.040	20	5		CBBDHM
C[S@@](=O)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1	ZINC000737172160	582235641	/nfs/dbraw/zinc/23/56/41/582235641.db2.gz	GYYOQEAVWSBUNW-HXUWFJFHSA-N	-1	3	297.300	-0.040	20	5		CBBDHM
NC(=O)NCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000737755148	582249082	/nfs/dbraw/zinc/24/90/82/582249082.db2.gz	JDLAULMGQOIVAM-UHFFFAOYSA-N	-1	3	292.259	-0.145	20	5		CBBDHM
NC(=O)NCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000737755148	582249083	/nfs/dbraw/zinc/24/90/83/582249083.db2.gz	JDLAULMGQOIVAM-UHFFFAOYSA-N	-1	3	292.259	-0.145	20	5		CBBDHM
NC(=O)CO[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000772948094	582346377	/nfs/dbraw/zinc/34/63/77/582346377.db2.gz	FDTSXRYYRGHFGN-UHFFFAOYSA-N	-1	3	284.184	-0.350	20	5		CBBDHM
CN1C(=O)CN([N-]C(=O)c2cc([N+](=O)[O-])ccc2N)C1=O	ZINC000787203914	582380518	/nfs/dbraw/zinc/38/05/18/582380518.db2.gz	ZQUSTKYMVSWYKF-UHFFFAOYSA-N	-1	3	293.239	-0.284	20	5		CBBDHM
C[C@H](CC(N)=O)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1	ZINC000820232127	582559725	/nfs/dbraw/zinc/55/97/25/582559725.db2.gz	DRGTZXNETOTEHE-RXMQYKEDSA-N	-1	3	292.259	-0.154	20	5		CBBDHM
C[C@H](CC(N)=O)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1	ZINC000820232127	582559727	/nfs/dbraw/zinc/55/97/27/582559727.db2.gz	DRGTZXNETOTEHE-RXMQYKEDSA-N	-1	3	292.259	-0.154	20	5		CBBDHM
CN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1	ZINC000821628293	582613201	/nfs/dbraw/zinc/61/32/01/582613201.db2.gz	FISMARQLTDAYME-UHFFFAOYSA-N	-1	3	290.287	-0.078	20	5		CBBDHM
CN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1	ZINC000821628293	582613203	/nfs/dbraw/zinc/61/32/03/582613203.db2.gz	FISMARQLTDAYME-UHFFFAOYSA-N	-1	3	290.287	-0.078	20	5		CBBDHM
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H](O)CO	ZINC000823630045	582675795	/nfs/dbraw/zinc/67/57/95/582675795.db2.gz	QIVRMXGPOIAKOK-ZETCQYMHSA-N	-1	3	280.244	-0.460	20	5		CBBDHM
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H](O)CO	ZINC000823630045	582675797	/nfs/dbraw/zinc/67/57/97/582675797.db2.gz	QIVRMXGPOIAKOK-ZETCQYMHSA-N	-1	3	280.244	-0.460	20	5		CBBDHM
O=C([O-])N[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000832386793	583023414	/nfs/dbraw/zinc/02/34/14/583023414.db2.gz	MULTZLLTNZBDOU-PSASIEDQSA-N	-1	3	299.287	-0.506	20	5		CBBDHM
O=C([O-])[C@H](O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1	ZINC000833771270	583082863	/nfs/dbraw/zinc/08/28/63/583082863.db2.gz	ZGZUTGAWQNLRAC-LLVKDONJSA-N	-1	3	298.299	-0.051	20	5		CBBDHM
CN(C)CCONC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000854945604	583629191	/nfs/dbraw/zinc/62/91/91/583629191.db2.gz	MSULHFVZCVWWSI-UHFFFAOYSA-N	-1	3	270.245	-0.082	20	5		CBBDHM
Cc1nc([N+](=O)[O-])cn1CC(=O)[N-]OCCN(C)C	ZINC000854945389	583629208	/nfs/dbraw/zinc/62/92/08/583629208.db2.gz	IIZZTDMCXVKEKM-UHFFFAOYSA-N	-1	3	271.277	-0.291	20	5		CBBDHM
O=C([N-]OCCN1CCCC1=O)c1[nH]ncc1[N+](=O)[O-]	ZINC000856042020	583654235	/nfs/dbraw/zinc/65/42/35/583654235.db2.gz	PHLWLCIDFKGEMK-UHFFFAOYSA-N	-1	3	283.244	-0.398	20	5		CBBDHM
O=[N+]([O-])c1ccc(NC(CO)CO)c(-c2nn[n-]n2)c1	ZINC000738368265	599322850	/nfs/dbraw/zinc/32/28/50/599322850.db2.gz	BEGWHDOWOOHMFX-UHFFFAOYSA-N	-1	3	280.244	-0.460	20	5		CBBDHM
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(CCO)CCO	ZINC000738358646	599322981	/nfs/dbraw/zinc/32/29/81/599322981.db2.gz	NVIAPEJNRKWOBF-UHFFFAOYSA-N	-1	3	294.271	-0.434	20	5		CBBDHM
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(CCO)CCO	ZINC000738358646	599322984	/nfs/dbraw/zinc/32/29/84/599322984.db2.gz	NVIAPEJNRKWOBF-UHFFFAOYSA-N	-1	3	294.271	-0.434	20	5		CBBDHM
O=[N+]([O-])c1ccc(NC(CO)CO)c(-c2nnn[n-]2)c1	ZINC000738368265	599322849	/nfs/dbraw/zinc/32/28/49/599322849.db2.gz	BEGWHDOWOOHMFX-UHFFFAOYSA-N	-1	3	280.244	-0.460	20	5		CBBDHM
NC(=O)C(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001107480454	811338462	/nfs/dbraw/zinc/33/84/62/811338462.db2.gz	JYJLRDRQJLVHQQ-UPHRSURJSA-N	-1	3	295.255	-0.735	20	5		CBBDHM
Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1[n-]c(=O)nc1CN	ZINC001157933726	815486025	/nfs/dbraw/zinc/48/60/25/815486025.db2.gz	IRKVDFHLGIYHPE-UHFFFAOYSA-N	-1	3	266.217	-0.718	20	5		CBBDHM
NCc1nc(=O)[n-]n1-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-]	ZINC001157933702	815486337	/nfs/dbraw/zinc/48/63/37/815486337.db2.gz	IABOSBQEMCTGLC-UHFFFAOYSA-N	-1	3	286.635	-0.373	20	5		CBBDHM
COC(=O)c1cnc(-n2[n-]c(=O)nc2CN)c([N+](=O)[O-])c1	ZINC001157933157	815486363	/nfs/dbraw/zinc/48/63/63/815486363.db2.gz	KXUXPPCTTKWOIZ-UHFFFAOYSA-N	-1	3	294.227	-0.479	20	5		CBBDHM
Cc1ncc([N+](=O)[O-])c(-n2[n-]c(=O)nc2CN)n1	ZINC001157933367	815486389	/nfs/dbraw/zinc/48/63/89/815486389.db2.gz	BBIAKTVIMOCZQQ-UHFFFAOYSA-N	-1	3	251.206	-0.562	20	5		CBBDHM
COc1nc(-n2[n-]c(=O)nc2CN)ccc1[N+](=O)[O-]	ZINC001157933325	815486405	/nfs/dbraw/zinc/48/64/05/815486405.db2.gz	TWVXKCYIPUYBHN-UHFFFAOYSA-N	-1	3	266.217	-0.257	20	5		CBBDHM
NCc1nc(=O)[n-]n1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-]	ZINC001157934404	815487148	/nfs/dbraw/zinc/48/71/48/815487148.db2.gz	XUNCTYPKFAKGIK-UHFFFAOYSA-N	-1	3	286.635	-0.373	20	5		CBBDHM
O=c1[n-]ccc(NC[C@@H](O)Cn2ccnn2)c1[N+](=O)[O-]	ZINC001118596892	812585678	/nfs/dbraw/zinc/58/56/78/812585678.db2.gz	SJOHAGDOTBBNTH-SSDOTTSWSA-N	-1	3	280.244	-0.240	20	5		CBBDHM
Cn1cc([N+](=O)[O-])c([N-]c2cnn(CC(N)=O)c2)n1	ZINC001162216335	815809362	/nfs/dbraw/zinc/80/93/62/815809362.db2.gz	QIECSESDMXZURW-UHFFFAOYSA-N	-1	3	265.233	-0.246	20	5		CBBDHM
CN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC001303625876	816771445	/nfs/dbraw/zinc/77/14/45/816771445.db2.gz	KGVSPZOCGNCJSF-UHFFFAOYSA-N	-1	3	283.284	-0.046	20	5		CBBDHM
O=c1[n-]ccc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)c1[N+](=O)[O-]	ZINC001307211088	816798561	/nfs/dbraw/zinc/79/85/61/816798561.db2.gz	MBMITJWDQUXUJE-YDNVCLBTSA-N	-1	3	255.230	-0.009	20	5		CBBDHM
NCc1nc(=O)[n-]n1-c1cccc2ncc([N+](=O)[O-])n21	ZINC001168762109	820180851	/nfs/dbraw/zinc/18/08/51/820180851.db2.gz	BZOFAWWQHISSCA-UHFFFAOYSA-N	-1	3	275.228	-0.013	20	5		CBBDHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2COCO2)nc1	ZINC001212107710	824500973	/nfs/dbraw/zinc/50/09/73/824500973.db2.gz	GNDORGGSYVTVIY-MRVPVSSYSA-N	-1	3	289.269	-0.359	20	5		CBBDHM
COC[C@H](CO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000234817717	293112381	/nfs/dbraw/zinc/11/23/81/293112381.db2.gz	UWLYAVMHGGSONA-QMMMGPOBSA-N	-1	3	290.297	-0.120	20	5		CBBDHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1COC[C@H]1O	ZINC000295259987	352705591	/nfs/dbraw/zinc/70/55/91/352705591.db2.gz	GUAYCRXSGFEJTE-VXNVDRBHSA-N	-1	3	288.281	-0.367	20	5		CBBDHM
NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000342568424	353222520	/nfs/dbraw/zinc/22/25/20/353222520.db2.gz	NOBRGZHEXVGRAD-UHFFFAOYSA-N	-1	3	288.285	-0.459	20	5		CBBDHM
O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000352443982	353485416	/nfs/dbraw/zinc/48/54/16/353485416.db2.gz	UXSSZIVIUQRPIW-ZETCQYMHSA-N	-1	3	293.239	-0.701	20	5		CBBDHM
O=C1[N-]C(=O)N2CCN(CCn3ccc([N+](=O)[O-])n3)C[C@@H]12	ZINC000352772475	353504941	/nfs/dbraw/zinc/50/49/41/353504941.db2.gz	QSFGTDCFADVIIB-QMMMGPOBSA-N	-1	3	294.271	-0.973	20	5		CBBDHM
CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593533938	355208973	/nfs/dbraw/zinc/20/89/73/355208973.db2.gz	DRAXSOOUJWYZFV-ZCFIWIBFSA-N	-1	3	288.285	-0.597	20	5		CBBDHM
C[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593549586	355209569	/nfs/dbraw/zinc/20/95/69/355209569.db2.gz	JHTNWODSUQKQID-ZCFIWIBFSA-N	-1	3	261.259	-0.351	20	5		CBBDHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COC[C@H]2O)nc1	ZINC000593610649	355211360	/nfs/dbraw/zinc/21/13/60/355211360.db2.gz	YBHGPHHUFWPSLN-HTQZYQBOSA-N	-1	3	289.269	-0.972	20	5		CBBDHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)CCF)nc1	ZINC000593658515	355214243	/nfs/dbraw/zinc/21/42/43/355214243.db2.gz	QNNFXJRAHWSDTO-ZETCQYMHSA-N	-1	3	293.276	-0.011	20	5		CBBDHM
CN1C(=O)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1=O	ZINC000596196010	355348059	/nfs/dbraw/zinc/34/80/59/355348059.db2.gz	QYBMLCVXBMVOKF-UHFFFAOYSA-N	-1	3	266.213	-0.500	20	5		CBBDHM
CNC(=O)C1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1	ZINC000596196025	355348313	/nfs/dbraw/zinc/34/83/13/355348313.db2.gz	PXOWHZKDGVESHH-UHFFFAOYSA-N	-1	3	252.230	-0.122	20	5		CBBDHM
CCNCC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599097070	355463485	/nfs/dbraw/zinc/46/34/85/355463485.db2.gz	FEWUQUKSMPEEIB-UHFFFAOYSA-N	-1	3	277.306	-0.784	20	5		CBBDHM
CS(=O)(=O)NC1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1	ZINC000599147599	355467733	/nfs/dbraw/zinc/46/77/33/355467733.db2.gz	KSNWRJRVRYJBOF-UHFFFAOYSA-N	-1	3	288.285	-0.567	20	5		CBBDHM
O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2c[nH]cn2)c1	ZINC000152823428	207380670	/nfs/dbraw/zinc/38/06/70/207380670.db2.gz	YXNXPNGRJPQLSA-UHFFFAOYSA-N	-1	3	286.273	-0.507	20	5		CBBDHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCO	ZINC000035610864	172296686	/nfs/dbraw/zinc/29/66/86/172296686.db2.gz	SWODJYFOHYJNFG-UHFFFAOYSA-N	-1	3	276.270	-0.126	20	5		CBBDHM
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(N)=O	ZINC000055214471	175573780	/nfs/dbraw/zinc/57/37/80/175573780.db2.gz	UAIDCGBGJQRAPK-RXMQYKEDSA-N	-1	3	291.260	-0.114	20	5		CBBDHM
Nc1nc(Sc2nnc(CO)[n-]2)ncc1[N+](=O)[O-]	ZINC000530352590	420403530	/nfs/dbraw/zinc/40/35/30/420403530.db2.gz	GPTGNWPSZVZTFG-UHFFFAOYSA-N	-1	3	269.246	-0.271	20	5		CBBDHM
Nc1nc(Sc2nc(CO)n[n-]2)ncc1[N+](=O)[O-]	ZINC000530352590	420403533	/nfs/dbraw/zinc/40/35/33/420403533.db2.gz	GPTGNWPSZVZTFG-UHFFFAOYSA-N	-1	3	269.246	-0.271	20	5		CBBDHM
Nc1nc(Sc2n[n-]c(CO)n2)ncc1[N+](=O)[O-]	ZINC000530352590	420403536	/nfs/dbraw/zinc/40/35/36/420403536.db2.gz	GPTGNWPSZVZTFG-UHFFFAOYSA-N	-1	3	269.246	-0.271	20	5		CBBDHM
CO[C@H]1C[C@H](C(=O)[O-])N(CCn2cc([N+](=O)[O-])cn2)C1	ZINC000574697360	327366793	/nfs/dbraw/zinc/36/67/93/327366793.db2.gz	RACPAJKPNWTRFX-VHSXEESVSA-N	-1	3	284.272	-0.035	20	5		CBBDHM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCNCC1	ZINC000581999720	336188058	/nfs/dbraw/zinc/18/80/58/336188058.db2.gz	DZEYHTWEBLEBNG-UHFFFAOYSA-N	-1	3	252.230	-0.259	20	5		CBBDHM
CNC(=O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000758973561	582309285	/nfs/dbraw/zinc/30/92/85/582309285.db2.gz	JIQZDQUAMQEULF-UHFFFAOYSA-N	-1	3	287.297	-0.240	20	5		CBBDHM
COC[C@H](CO)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000795281302	582408420	/nfs/dbraw/zinc/40/84/20/582408420.db2.gz	DKRMKNLNVSVQNC-LURJTMIESA-N	-1	3	296.326	-0.058	20	5		CBBDHM
CCn1ncn([N-]C(=O)c2ccc(N)c([N+](=O)[O-])c2)c1=O	ZINC000816736871	582483249	/nfs/dbraw/zinc/48/32/49/582483249.db2.gz	PGUYPIXOKPQTAA-UHFFFAOYSA-N	-1	3	292.255	-0.061	20	5		CBBDHM
CN(C[C@H](O)CO)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1	ZINC000825953693	582751749	/nfs/dbraw/zinc/75/17/49/582751749.db2.gz	LQRBHSKFLLJWSV-QMMMGPOBSA-N	-1	3	294.271	-0.436	20	5		CBBDHM
CN(C[C@H](O)CO)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1	ZINC000825953693	582751750	/nfs/dbraw/zinc/75/17/50/582751750.db2.gz	LQRBHSKFLLJWSV-QMMMGPOBSA-N	-1	3	294.271	-0.436	20	5		CBBDHM
COC[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000845928948	583342897	/nfs/dbraw/zinc/34/28/97/583342897.db2.gz	QNPFXGNOVVBNQW-QMMMGPOBSA-N	-1	3	291.285	-0.725	20	5		CBBDHM
CN(CCCNC(=O)C(N)=O)c1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001095719014	810758248	/nfs/dbraw/zinc/75/82/48/810758248.db2.gz	MCZBONXOLFGGIO-UHFFFAOYSA-N	-1	3	297.271	-0.877	20	5		CBBDHM
COc1cnc(-n2[n-]c(=O)nc2CN)c([N+](=O)[O-])c1	ZINC001157933558	815486235	/nfs/dbraw/zinc/48/62/35/815486235.db2.gz	FLEIQYLJQSSESC-UHFFFAOYSA-N	-1	3	266.217	-0.257	20	5		CBBDHM
CCC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nnn[n-]1	ZINC001294421695	816539434	/nfs/dbraw/zinc/53/94/34/816539434.db2.gz	FNVXOBDHCCOEAE-FSDSQADBSA-N	-1	3	254.250	-0.178	20	5		CBBDHM
O=C1NCC2(CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)O1	ZINC001261656572	826557908	/nfs/dbraw/zinc/55/79/08/826557908.db2.gz	DTJLIBZJISHXAE-UHFFFAOYSA-N	-1	3	266.213	-0.006	20	5		CBBDHM
O=C([C@@H]1CC1[N+](=O)[O-])N1CCSC[C@@H]1c1nnn[n-]1	ZINC001448015784	913190875	/nfs/dbraw/zinc/19/08/75/913190875.db2.gz	HAULEZIKRKFOGP-FSDSQADBSA-N	-1	3	284.301	-0.519	20	5		CBBDHM
Cc1cc(=O)[n-]c(CNC(=O)Cn2cc([N+](=O)[O-])cn2)n1	ZINC001452737417	914026086	/nfs/dbraw/zinc/02/60/86/914026086.db2.gz	OCOURWOIWYYZDO-UHFFFAOYSA-N	-1	3	292.255	-0.088	20	5		CBBDHM
Cn1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)nn1	ZINC001464017857	914949352	/nfs/dbraw/zinc/94/93/52/914949352.db2.gz	UJZOWWUIUVOQJW-UHFFFAOYSA-N	-1	3	298.284	-0.403	20	5		CBBDHM
NC(=O)[N-]C(=O)OCCCn1nccc1[N+](=O)[O-]	ZINC000269364044	352467142	/nfs/dbraw/zinc/46/71/42/352467142.db2.gz	NHZCCHRFQPEOTF-UHFFFAOYSA-N	-1	3	257.206	-0.014	20	5		CBBDHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccccc1[N+](=O)[O-]	ZINC000339973485	353139317	/nfs/dbraw/zinc/13/93/17/353139317.db2.gz	FDAFAPQOBWZWDG-QMMMGPOBSA-N	-1	3	292.251	-0.191	20	5		CBBDHM
CN(C)C[C@@H](CO)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000590369826	355075991	/nfs/dbraw/zinc/07/59/91/355075991.db2.gz	OMYGQKNMYHAQPE-QMMMGPOBSA-N	-1	3	284.272	-0.652	20	5		CBBDHM
CN(C)C[C@H](CO)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000588864449	355062170	/nfs/dbraw/zinc/06/21/70/355062170.db2.gz	JIFMVTNOHPERMR-SECBINFHSA-N	-1	3	283.284	-0.047	20	5		CBBDHM
CNC(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593534288	355208720	/nfs/dbraw/zinc/20/87/20/355208720.db2.gz	ICKABWZLUBIMRT-UHFFFAOYSA-N	-1	3	288.285	-0.596	20	5		CBBDHM
CC(=O)NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593525279	355209005	/nfs/dbraw/zinc/20/90/05/355209005.db2.gz	OQXQTDHOFUMORY-UHFFFAOYSA-N	-1	3	288.285	-0.596	20	5		CBBDHM
C[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593549436	355209747	/nfs/dbraw/zinc/20/97/47/355209747.db2.gz	HUOORRJCXCTWJQ-ZCFIWIBFSA-N	-1	3	261.259	-0.351	20	5		CBBDHM
C[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593549584	355209821	/nfs/dbraw/zinc/20/98/21/355209821.db2.gz	JHTNWODSUQKQID-LURJTMIESA-N	-1	3	261.259	-0.351	20	5		CBBDHM
COCC(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1	ZINC000596081252	355341059	/nfs/dbraw/zinc/34/10/59/355341059.db2.gz	SFHQJRRSVIKJQL-UHFFFAOYSA-N	-1	3	296.283	-0.010	20	5		CBBDHM
CN(C)C[C@@H](CO)NC(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000597653573	355403514	/nfs/dbraw/zinc/40/35/14/355403514.db2.gz	LWALPOMREKBALK-QMMMGPOBSA-N	-1	3	283.284	-0.047	20	5		CBBDHM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCNC2)n1	ZINC000599095981	355463649	/nfs/dbraw/zinc/46/36/49/355463649.db2.gz	JWMMTHAJJPEYLC-SSDOTTSWSA-N	-1	3	289.317	-0.641	20	5		CBBDHM
C[C@@H](CN(C)C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599306824	355478518	/nfs/dbraw/zinc/47/85/18/355478518.db2.gz	LMXSJYWBPWDOOA-ZETCQYMHSA-N	-1	3	291.333	-0.443	20	5		CBBDHM
O=C(NCCN1CC[C@H](O)C1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000600838564	355569018	/nfs/dbraw/zinc/56/90/18/355569018.db2.gz	RLCLXVUBFZJQHE-VIFPVBQESA-N	-1	3	296.283	-0.508	20	5		CBBDHM
Cc1nn(C)c(N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1[N+](=O)[O-]	ZINC000611509878	355804188	/nfs/dbraw/zinc/80/41/88/355804188.db2.gz	IKVFXEUWRBIWHJ-ZETCQYMHSA-N	-1	3	294.271	-0.623	20	5		CBBDHM
Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000552011146	283972954	/nfs/dbraw/zinc/97/29/54/283972954.db2.gz	YZQQWRRRKRDKFW-LURJTMIESA-N	-1	3	280.244	-0.440	20	5		CBBDHM
Cc1[n-][nH]c(=O)c1CCNc1ncc([N+](=O)[O-])c(N)n1	ZINC000609620275	420494501	/nfs/dbraw/zinc/49/45/01/420494501.db2.gz	DTJPPKRXCSELSF-ZCFIWIBFSA-N	-1	3	279.260	-0.687	20	5		CBBDHM
COc1cc(C(=O)[N-]N2CC(=O)NC2=O)ccc1[N+](=O)[O-]	ZINC000725879376	582135651	/nfs/dbraw/zinc/13/56/51/582135651.db2.gz	RKHPXUCYWIVTCH-UHFFFAOYSA-N	-1	3	294.223	-0.200	20	5		CBBDHM
COc1ccc(CC(=O)[N-]OCC(N)=O)cc1[N+](=O)[O-]	ZINC000772940848	582346385	/nfs/dbraw/zinc/34/63/85/582346385.db2.gz	WYIAEHVPFFHJCB-UHFFFAOYSA-N	-1	3	283.240	-0.321	20	5		CBBDHM
Cc1nc([N+](=O)[O-])cn1CCC(=O)[N-]c1nnnn1C	ZINC000779467456	582361305	/nfs/dbraw/zinc/36/13/05/582361305.db2.gz	RNFYTJWROIEPAL-UHFFFAOYSA-N	-1	3	280.248	-0.348	20	5		CBBDHM
COC[C@@H](CO)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000795281306	582408422	/nfs/dbraw/zinc/40/84/22/582408422.db2.gz	DKRMKNLNVSVQNC-ZCFIWIBFSA-N	-1	3	296.326	-0.058	20	5		CBBDHM
O=C([N-]N1CCCNC1=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000803052541	582427335	/nfs/dbraw/zinc/42/73/35/582427335.db2.gz	AJFDHMIZFZLXAK-UHFFFAOYSA-N	-1	3	254.206	-0.622	20	5		CBBDHM
O=C(OCCn1ccc([N+](=O)[O-])n1)c1cnn[n-]1	ZINC000805606871	582434668	/nfs/dbraw/zinc/43/46/68/582434668.db2.gz	CDXLNEJHXLCACS-UHFFFAOYSA-N	-1	3	252.190	-0.234	20	5		CBBDHM
O=C(OCCn1ccc([N+](=O)[O-])n1)c1c[n-]nn1	ZINC000805606871	582434669	/nfs/dbraw/zinc/43/46/69/582434669.db2.gz	CDXLNEJHXLCACS-UHFFFAOYSA-N	-1	3	252.190	-0.234	20	5		CBBDHM
COC(=O)CCCO[N-]C(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000811561624	582450928	/nfs/dbraw/zinc/45/09/28/582450928.db2.gz	SQRWOSBLOFJJJE-UHFFFAOYSA-N	-1	3	272.217	-0.068	20	5		CBBDHM
O=C([O-])C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000819281173	582531068	/nfs/dbraw/zinc/53/10/68/582531068.db2.gz	MDXYUHWOJGVQMH-NSHDSACASA-N	-1	3	298.299	-0.051	20	5		CBBDHM
CN(CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)[O-]	ZINC000820597496	582576052	/nfs/dbraw/zinc/57/60/52/582576052.db2.gz	UVOOKWIOJLLIDX-UHFFFAOYSA-N	-1	3	255.230	-0.227	20	5		CBBDHM
O=C([O-])N[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000832386795	583023444	/nfs/dbraw/zinc/02/34/44/583023444.db2.gz	MULTZLLTNZBDOU-WCBMZHEXSA-N	-1	3	299.287	-0.506	20	5		CBBDHM
O=C([O-])[C@@H](O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1	ZINC000833771271	583082791	/nfs/dbraw/zinc/08/27/91/583082791.db2.gz	ZGZUTGAWQNLRAC-NSHDSACASA-N	-1	3	298.299	-0.051	20	5		CBBDHM
CON(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000849409760	583481809	/nfs/dbraw/zinc/48/18/09/583481809.db2.gz	DRSXACBPYVDUTO-UHFFFAOYSA-N	-1	3	290.301	-0.239	20	5		CBBDHM
CCn1ncn([N-]C(=O)c2cc([N+](=O)[O-])cn2C)c1=O	ZINC000854631697	583614003	/nfs/dbraw/zinc/61/40/03/583614003.db2.gz	RDWRORHMDGAVPV-UHFFFAOYSA-N	-1	3	280.244	-0.305	20	5		CBBDHM
Cc1n[nH]c(C(=O)[N-]OCCN2CCCC2=O)c1[N+](=O)[O-]	ZINC000856039128	583654019	/nfs/dbraw/zinc/65/40/19/583654019.db2.gz	PUGMRYCEOYOGCH-UHFFFAOYSA-N	-1	3	297.271	-0.090	20	5		CBBDHM
CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC(N)=O	ZINC001101537080	811111286	/nfs/dbraw/zinc/11/12/86/811111286.db2.gz	MSVLZPPVINIASK-UHFFFAOYSA-N	-1	3	297.271	-0.559	20	5		CBBDHM
NCc1nc(=O)[n-]n1-c1ncc(F)cc1[N+](=O)[O-]	ZINC001157933473	815485751	/nfs/dbraw/zinc/48/57/51/815485751.db2.gz	XTGNJJWXMBXQAW-UHFFFAOYSA-N	-1	3	254.181	-0.126	20	5		CBBDHM
Nc1ncc([N+](=O)[O-])cc1C(=O)[N-]N1CCCC1=O	ZINC001116595120	812282283	/nfs/dbraw/zinc/28/22/83/812282283.db2.gz	UPBFMZUILUBLML-UHFFFAOYSA-N	-1	3	265.229	-0.161	20	5		CBBDHM
O=C1CO[C@H]2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@@H]2N1	ZINC001118537369	812570213	/nfs/dbraw/zinc/57/02/13/812570213.db2.gz	ZYEYYUSQFYPQKX-CBAPKCEASA-N	-1	3	294.267	-0.211	20	5		CBBDHM
NCc1nc(=O)[n-]n1-c1ccc([N+](=O)[O-])c2c1CNC2=O	ZINC001168762139	820181019	/nfs/dbraw/zinc/18/10/19/820181019.db2.gz	DYDMABNTJKKAGX-UHFFFAOYSA-N	-1	3	290.239	-0.417	20	5		CBBDHM
C[N+](C)(C)C[C@H](O)CC(=O)OCCP(=O)([O-])[O-]	ZINC001224603570	825243948	/nfs/dbraw/zinc/24/39/48/825243948.db2.gz	ADDIUYMPMHTFMF-MRVPVSSYSA-O	-1	3	270.242	-0.836	20	5		CBBDHM
C[N+](C)(C)C[C@H](O)CC(=O)OCCCCP(=O)([O-])[O-]	ZINC001225023256	825253368	/nfs/dbraw/zinc/25/33/68/825253368.db2.gz	WMVCQFHKELXTMK-SNVBAGLBSA-O	-1	3	298.296	-0.055	20	5		CBBDHM
O=[N+]([O-])c1c([O-])ccnc1OC1CS(=O)(=O)C1	ZINC001225664769	825261316	/nfs/dbraw/zinc/26/13/16/825261316.db2.gz	SZPUEKVHFHFSIP-UHFFFAOYSA-N	-1	3	260.227	-0.129	20	5		CBBDHM
NC(=O)N[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1	ZINC001327688861	885454079	/nfs/dbraw/zinc/45/40/79/885454079.db2.gz	RUISWGQHUZQPAD-LURJTMIESA-N	-1	3	267.245	-0.058	20	5		CBBDHM
NS(=O)(=O)[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1	ZINC001328010647	885556072	/nfs/dbraw/zinc/55/60/72/885556072.db2.gz	ROIBMMQFXAASEX-LURJTMIESA-N	-1	3	288.285	-0.437	20	5		CBBDHM
CNC(=O)[C@@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001328556753	885725492	/nfs/dbraw/zinc/72/54/92/885725492.db2.gz	MOMVDGGTNZONPN-LURJTMIESA-N	-1	3	256.218	-0.786	20	5		CBBDHM
CS(=O)(=O)C1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1	ZINC001330045056	886339214	/nfs/dbraw/zinc/33/92/14/886339214.db2.gz	HPWVBALTIDIFMF-UHFFFAOYSA-N	-1	3	273.270	-0.071	20	5		CBBDHM
O=C1CNC(=O)N1CCNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001333701241	887745668	/nfs/dbraw/zinc/74/56/68/887745668.db2.gz	UJONQTPEHBBGLX-UHFFFAOYSA-N	-1	3	281.228	-0.341	20	5		CBBDHM
O=C1NC[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CCN12	ZINC001333706872	887750769	/nfs/dbraw/zinc/75/07/69/887750769.db2.gz	GEXQFDMZYIXTHT-SSDOTTSWSA-N	-1	3	279.256	-0.091	20	5		CBBDHM
O=C(Cn1cc([N+](=O)[O-])cn1)NCCCc1c[n-][nH]c1=O	ZINC001454187223	914176490	/nfs/dbraw/zinc/17/64/90/914176490.db2.gz	RHWUFDUQEALXCG-MRVPVSSYSA-N	-1	3	294.271	-0.581	20	5		CBBDHM
NC(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1	ZINC001458285873	914638073	/nfs/dbraw/zinc/63/80/73/914638073.db2.gz	BVMAGPQMUOWDHW-UHFFFAOYSA-N	-1	3	267.245	-0.104	20	5		CBBDHM
O=C(NCCc1nc[nH]n1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000080582540	351698458	/nfs/dbraw/zinc/69/84/58/351698458.db2.gz	NVQHUWUUAAJXAC-UHFFFAOYSA-N	-1	3	278.228	-0.626	20	5		CBBDHM
COc1nc(NC(=O)c2c([N+](=O)[O-])cnn2C)n[n-]1	ZINC000352646883	353499029	/nfs/dbraw/zinc/49/90/29/353499029.db2.gz	NLPAIQFOUJOGIP-UHFFFAOYSA-N	-1	3	267.205	-0.293	20	5		CBBDHM
O=C(NCCc1nc[nH]n1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000444994919	354279837	/nfs/dbraw/zinc/27/98/37/354279837.db2.gz	FVWRWFPSAHBIET-UHFFFAOYSA-N	-1	3	278.228	-0.214	20	5		CBBDHM
CO[C@@H]1C[C@H](C(=O)[O-])N(CCn2ccc([N+](=O)[O-])n2)C1	ZINC000568067128	354809426	/nfs/dbraw/zinc/80/94/26/354809426.db2.gz	MXEDICLMCNDOBQ-RKDXNWHRSA-N	-1	3	284.272	-0.035	20	5		CBBDHM
COC(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593526954	355208743	/nfs/dbraw/zinc/20/87/43/355208743.db2.gz	AKSOZVGNXNGOFE-UHFFFAOYSA-N	-1	3	289.269	-0.169	20	5		CBBDHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCCO)nc1	ZINC000593549660	355209832	/nfs/dbraw/zinc/20/98/32/355209832.db2.gz	KUWOOACWYOGFCH-UHFFFAOYSA-N	-1	3	291.285	-0.723	20	5		CBBDHM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCOC2(CNC2)C1	ZINC000596104978	355344241	/nfs/dbraw/zinc/34/42/41/355344241.db2.gz	KTBWNECDMLSYCN-UHFFFAOYSA-N	-1	3	294.267	-0.490	20	5		CBBDHM
CN(C)C(=O)COC1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1	ZINC000596151527	355345946	/nfs/dbraw/zinc/34/59/46/355345946.db2.gz	RGHJZKALKWDASZ-UHFFFAOYSA-N	-1	3	296.283	-0.011	20	5		CBBDHM
CNS(=O)(=O)CCNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC000596204775	355348783	/nfs/dbraw/zinc/34/87/83/355348783.db2.gz	XOIISPXUVWVCKJ-UHFFFAOYSA-N	-1	3	276.274	-0.344	20	5		CBBDHM
CN(C)c1n[nH]c([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])n1	ZINC000515395692	373786414	/nfs/dbraw/zinc/78/64/14/373786414.db2.gz	VPVUPUKFXJEIIX-UHFFFAOYSA-N	-1	3	266.221	-0.246	20	5		CBBDHM
Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000427154826	208058271	/nfs/dbraw/zinc/05/82/71/208058271.db2.gz	ZFRPSPAEPGCPPY-UHFFFAOYSA-N	-1	3	295.215	-0.665	20	5		CBBDHM
Cc1ncc(CNc2ncc([N+](=O)[O-])c(N)n2)c(=O)[n-]1	ZINC000343595295	419763724	/nfs/dbraw/zinc/76/37/24/419763724.db2.gz	GGEVNPDXZMGEJH-UHFFFAOYSA-N	-1	3	277.244	-0.195	20	5		CBBDHM
CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)n[n-]1	ZINC000560631481	420432491	/nfs/dbraw/zinc/43/24/91/420432491.db2.gz	MZJLSCMFTNJHKC-UHFFFAOYSA-N	-1	3	294.227	0.470	20	5		CBBDHM
CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)[n-]n1	ZINC000560631481	420432497	/nfs/dbraw/zinc/43/24/97/420432497.db2.gz	MZJLSCMFTNJHKC-UHFFFAOYSA-N	-1	3	294.227	0.470	20	5		CBBDHM
C[S@](=O)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1	ZINC000737172159	582235598	/nfs/dbraw/zinc/23/55/98/582235598.db2.gz	GYYOQEAVWSBUNW-FQEVSTJZSA-N	-1	3	297.300	-0.040	20	5		CBBDHM
C[S@](=O)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1	ZINC000737172159	582235599	/nfs/dbraw/zinc/23/55/99/582235599.db2.gz	GYYOQEAVWSBUNW-FQEVSTJZSA-N	-1	3	297.300	-0.040	20	5		CBBDHM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCOCCO)cs1	ZINC000768850758	582334711	/nfs/dbraw/zinc/33/47/11/582334711.db2.gz	XMIZGBAYLXMNJM-UHFFFAOYSA-N	-1	3	296.326	-0.057	20	5		CBBDHM
CCCc1n[nH]c(C(=O)[N-]OCC(N)=O)c1[N+](=O)[O-]	ZINC000772936316	582346225	/nfs/dbraw/zinc/34/62/25/582346225.db2.gz	NEDMVZDSQWTQIJ-UHFFFAOYSA-N	-1	3	271.233	-0.583	20	5		CBBDHM
O=C(Cn1cc([N+](=O)[O-])cn1)[N-]c1nnnn1C1CC1	ZINC000821667410	582614515	/nfs/dbraw/zinc/61/45/15/582614515.db2.gz	IYHFELWMUWYBHL-UHFFFAOYSA-N	-1	3	278.232	-0.249	20	5		CBBDHM
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@@H](O)[C@@H](O)C1	ZINC000823630293	582675757	/nfs/dbraw/zinc/67/57/57/582675757.db2.gz	WDYAAHAEBDLRDW-AOOOYVTPSA-N	-1	3	292.255	-0.683	20	5		CBBDHM
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@@H](O)[C@@H](O)C1	ZINC000823630293	582675759	/nfs/dbraw/zinc/67/57/59/582675759.db2.gz	WDYAAHAEBDLRDW-AOOOYVTPSA-N	-1	3	292.255	-0.683	20	5		CBBDHM
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H](O)CO	ZINC000823630043	582675815	/nfs/dbraw/zinc/67/58/15/582675815.db2.gz	QIVRMXGPOIAKOK-SSDOTTSWSA-N	-1	3	280.244	-0.460	20	5		CBBDHM
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H](O)CO	ZINC000823630043	582675816	/nfs/dbraw/zinc/67/58/16/582675816.db2.gz	QIVRMXGPOIAKOK-SSDOTTSWSA-N	-1	3	280.244	-0.460	20	5		CBBDHM
O=[N+]([O-])c1cnc(SC[C@H](O)CO)c(-c2nnn[n-]2)c1	ZINC000823651995	582676577	/nfs/dbraw/zinc/67/65/77/582676577.db2.gz	VHPGDIZYEVLZIM-ZCFIWIBFSA-N	-1	3	298.284	-0.385	20	5		CBBDHM
CN(C)C1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1	ZINC000825854493	582748851	/nfs/dbraw/zinc/74/88/51/582748851.db2.gz	BSKIIQVYOOVSMB-UHFFFAOYSA-N	-1	3	290.287	-0.080	20	5		CBBDHM
CN(C)C1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1	ZINC000825854493	582748852	/nfs/dbraw/zinc/74/88/52/582748852.db2.gz	BSKIIQVYOOVSMB-UHFFFAOYSA-N	-1	3	290.287	-0.080	20	5		CBBDHM
CC(C)[C@@H](CO)O[N-]C(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000857286253	583669893	/nfs/dbraw/zinc/66/98/93/583669893.db2.gz	VZZGRWINYOHCJS-SSDOTTSWSA-N	-1	3	258.234	-0.004	20	5		CBBDHM
NC(=O)CC(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001094345651	810714917	/nfs/dbraw/zinc/71/49/17/810714917.db2.gz	CVTMNSDUUWDZLD-UHFFFAOYSA-N	-1	3	297.271	-0.511	20	5		CBBDHM
CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(N)=O	ZINC001109601174	811497997	/nfs/dbraw/zinc/49/79/97/811497997.db2.gz	KGYZESYBDNFYSY-UHFFFAOYSA-N	-1	3	297.271	-0.559	20	5		CBBDHM
NC(=O)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1	ZINC001110324199	811520705	/nfs/dbraw/zinc/52/07/05/811520705.db2.gz	CKFPOXNUVRUMCB-UHFFFAOYSA-N	-1	3	295.255	-0.759	20	5		CBBDHM
Cc1nc(-n2[n-]c(=O)nc2CN)ncc1[N+](=O)[O-]	ZINC001157940667	815489968	/nfs/dbraw/zinc/48/99/68/815489968.db2.gz	UIDHYYZGFXUVQI-UHFFFAOYSA-N	-1	3	251.206	-0.562	20	5		CBBDHM
COC(=O)c1cc([N+](=O)[O-])ncc1-n1[n-]c(=O)nc1CN	ZINC001168763636	820180304	/nfs/dbraw/zinc/18/03/04/820180304.db2.gz	YQKUDBIUWYJHIV-UHFFFAOYSA-N	-1	3	294.227	-0.479	20	5		CBBDHM
NCc1nc(=O)[n-]n1-c1cnc(F)c([N+](=O)[O-])c1	ZINC001168761620	820180994	/nfs/dbraw/zinc/18/09/94/820180994.db2.gz	UIPDHIQUDLIJSX-UHFFFAOYSA-N	-1	3	254.181	-0.126	20	5		CBBDHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COC[C@@H]2O)nc1	ZINC001213325101	824509487	/nfs/dbraw/zinc/50/94/87/824509487.db2.gz	YBHGPHHUFWPSLN-SFYZADRCSA-N	-1	3	289.269	-0.972	20	5		CBBDHM
COC(=O)c1[n-]c(=O)nc(O[C@H]2CCN(C)C2)c1[N+](=O)[O-]	ZINC001226653689	825284406	/nfs/dbraw/zinc/28/44/06/825284406.db2.gz	YRFRDLIMGVPYLY-LURJTMIESA-N	-1	3	298.255	-0.040	20	5		CBBDHM
O=c1[n-]ccc(N2CCS(=O)(=O)CC2)c1[N+](=O)[O-]	ZINC001350456778	890988581	/nfs/dbraw/zinc/98/85/81/890988581.db2.gz	NULURUZBOGRWRG-UHFFFAOYSA-N	-1	3	273.270	-0.070	20	5		CBBDHM
CNC(=O)[C@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001328556754	885726130	/nfs/dbraw/zinc/72/61/30/885726130.db2.gz	MOMVDGGTNZONPN-ZCFIWIBFSA-N	-1	3	256.218	-0.786	20	5		CBBDHM
NC(=O)CN1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1	ZINC001330619966	886507832	/nfs/dbraw/zinc/50/78/32/886507832.db2.gz	AQHXZEZWJFKBOI-UHFFFAOYSA-N	-1	3	295.299	-0.307	20	5		CBBDHM
O=C(Cn1cc([N+](=O)[O-])cn1)NCCCc1c[n-][nH]c1=O	ZINC001454187225	914175805	/nfs/dbraw/zinc/17/58/05/914175805.db2.gz	RHWUFDUQEALXCG-QMMMGPOBSA-N	-1	3	294.271	-0.581	20	5		CBBDHM
C[C@@H](CN(C)c1ncc([N+](=O)[O-])c(N)n1)c1nnn[n-]1	ZINC000132907618	351895994	/nfs/dbraw/zinc/89/59/94/351895994.db2.gz	HWDVAWYSSODCLB-YFKPBYRVSA-N	-1	3	279.264	-0.280	20	5		CBBDHM
C[C@@H](CN(C)c1ncc([N+](=O)[O-])c(N)n1)c1nn[n-]n1	ZINC000132907618	351895998	/nfs/dbraw/zinc/89/59/98/351895998.db2.gz	HWDVAWYSSODCLB-YFKPBYRVSA-N	-1	3	279.264	-0.280	20	5		CBBDHM
NC(=O)[N-]C(=O)OCCCn1cc([N+](=O)[O-])cn1	ZINC000270166996	352487108	/nfs/dbraw/zinc/48/71/08/352487108.db2.gz	VMNYFRLSXBXMBC-UHFFFAOYSA-N	-1	3	257.206	-0.014	20	5		CBBDHM
O=C1[N-]C(=O)N2CCN(CCn3cc([N+](=O)[O-])cn3)C[C@H]12	ZINC000332196390	352939621	/nfs/dbraw/zinc/93/96/21/352939621.db2.gz	CAJUZYCIEVZZLK-SECBINFHSA-N	-1	3	294.271	-0.973	20	5		CBBDHM
O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000352443981	353485970	/nfs/dbraw/zinc/48/59/70/353485970.db2.gz	UXSSZIVIUQRPIW-SSDOTTSWSA-N	-1	3	293.239	-0.701	20	5		CBBDHM
O=C(NCc1nc[nH]n1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000445176954	354280865	/nfs/dbraw/zinc/28/08/65/354280865.db2.gz	HPXCTDFKBLBVQQ-UHFFFAOYSA-N	-1	3	264.201	-0.257	20	5		CBBDHM
O=C(NCc1nnc[nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000445176954	354280871	/nfs/dbraw/zinc/28/08/71/354280871.db2.gz	HPXCTDFKBLBVQQ-UHFFFAOYSA-N	-1	3	264.201	-0.257	20	5		CBBDHM
CN(C)CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000533534699	354593339	/nfs/dbraw/zinc/59/33/39/354593339.db2.gz	JUKLENRRNFQOCX-UHFFFAOYSA-N	-1	3	274.302	-0.170	20	5		CBBDHM
COCCNC(=O)CNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC000596062316	355339924	/nfs/dbraw/zinc/33/99/24/355339924.db2.gz	WLUDZOFVRJXVKT-UHFFFAOYSA-N	-1	3	270.245	-0.130	20	5		CBBDHM
CN(CC(=O)N1CCOCC1)c1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC000596056211	355340032	/nfs/dbraw/zinc/34/00/32/355340032.db2.gz	ZNMUINDDRLSHIL-UHFFFAOYSA-N	-1	3	296.283	-0.010	20	5		CBBDHM
O=C(CNc1cc[n-]c(=O)c1[N+](=O)[O-])N1CCOCC1	ZINC000596182405	355347566	/nfs/dbraw/zinc/34/75/66/355347566.db2.gz	CEYZHUSTDMMCON-UHFFFAOYSA-N	-1	3	282.256	-0.034	20	5		CBBDHM
COc1nnc(NC(=O)c2cc([N+](=O)[O-])nn2C)[n-]1	ZINC000360684950	373226394	/nfs/dbraw/zinc/22/63/94/373226394.db2.gz	IHUBVZBSSPTQHU-UHFFFAOYSA-N	-1	3	267.205	-0.293	20	5		CBBDHM
COc1nc(NC(=O)c2cc([N+](=O)[O-])nn2C)n[n-]1	ZINC000360684950	373226398	/nfs/dbraw/zinc/22/63/98/373226398.db2.gz	IHUBVZBSSPTQHU-UHFFFAOYSA-N	-1	3	267.205	-0.293	20	5		CBBDHM
COc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])nn2C)n1	ZINC000360684950	373226406	/nfs/dbraw/zinc/22/64/06/373226406.db2.gz	IHUBVZBSSPTQHU-UHFFFAOYSA-N	-1	3	267.205	-0.293	20	5		CBBDHM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCO)cs1	ZINC000119803097	582117778	/nfs/dbraw/zinc/11/77/78/582117778.db2.gz	ARBAGWKTEOKWAH-UHFFFAOYSA-N	-1	3	252.273	-0.073	20	5		CBBDHM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1CNC1	ZINC000123482689	582119353	/nfs/dbraw/zinc/11/93/53/582119353.db2.gz	WTBSWNTVKZLUFT-UHFFFAOYSA-N	-1	3	275.261	-0.016	20	5		CBBDHM
CN1CCC(O[N-]C(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC000773543731	582347891	/nfs/dbraw/zinc/34/78/91/582347891.db2.gz	WIAKSCXOMJPIRD-UHFFFAOYSA-N	-1	3	283.288	-0.067	20	5		CBBDHM
O=C1C[C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CN1	ZINC000780838090	582364631	/nfs/dbraw/zinc/36/46/31/582364631.db2.gz	XXCLDLPPXQZWMS-YFKPBYRVSA-N	-1	3	291.310	-0.177	20	5		CBBDHM
COC[C@H](O)C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000801704866	582425106	/nfs/dbraw/zinc/42/51/06/582425106.db2.gz	FRHWGATVDMIADO-ZCFIWIBFSA-N	-1	3	296.326	-0.058	20	5		CBBDHM
CCn1ncn([N-]C(=O)c2cccc([N+](=O)[O-])c2N)c1=O	ZINC000820390496	582566896	/nfs/dbraw/zinc/56/68/96/582566896.db2.gz	CPYXLJXNEMAHAX-UHFFFAOYSA-N	-1	3	292.255	-0.061	20	5		CBBDHM
CNC(=O)CN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1	ZINC000821632863	582613731	/nfs/dbraw/zinc/61/37/31/582613731.db2.gz	MHQDKWPIHDAZDQ-UHFFFAOYSA-N	-1	3	292.259	-0.648	20	5		CBBDHM
CNC(=O)CN(C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1	ZINC000821632863	582613733	/nfs/dbraw/zinc/61/37/33/582613733.db2.gz	MHQDKWPIHDAZDQ-UHFFFAOYSA-N	-1	3	292.259	-0.648	20	5		CBBDHM
COC(=O)CN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1	ZINC000821662520	582614495	/nfs/dbraw/zinc/61/44/95/582614495.db2.gz	GNBRHKPJAQUZDX-UHFFFAOYSA-N	-1	3	293.243	-0.221	20	5		CBBDHM
CC(C)(COC(=O)[C@H]1CCS(=O)(=O)[N-]1)[N+](=O)[O-]	ZINC000851129601	583511652	/nfs/dbraw/zinc/51/16/52/583511652.db2.gz	KVKCUEPBRQXBED-ZCFIWIBFSA-N	-1	3	266.275	-0.723	20	5		CBBDHM
NC(=O)C1=NO[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1	ZINC000853512852	583583700	/nfs/dbraw/zinc/58/37/00/583583700.db2.gz	NTEPQKKZMYLRTO-YFKPBYRVSA-N	-1	3	281.228	-0.263	20	5		CBBDHM
CC(C)[C@@H](CO)O[N-]C(=O)c1[nH]ncc1[N+](=O)[O-]	ZINC000857286392	583669870	/nfs/dbraw/zinc/66/98/70/583669870.db2.gz	ZSSGATVBUDZHFH-SSDOTTSWSA-N	-1	3	258.234	-0.004	20	5		CBBDHM
CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(N)=O	ZINC001106943535	811320206	/nfs/dbraw/zinc/32/02/06/811320206.db2.gz	OGJDSYQBPFJCPR-UHFFFAOYSA-N	-1	3	297.271	-0.559	20	5		CBBDHM
NCc1nc(=O)[n-]n1-c1cc([N+](=O)[O-])c2nncn2c1	ZINC001168761518	820180602	/nfs/dbraw/zinc/18/06/02/820180602.db2.gz	RCAMYQUVPNPOCR-UHFFFAOYSA-N	-1	3	276.216	-0.618	20	5		CBBDHM
NS(=O)(=O)C1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1	ZINC001350490056	890992656	/nfs/dbraw/zinc/99/26/56/890992656.db2.gz	CJZSXSDGSURHKS-UHFFFAOYSA-N	-1	3	274.258	-0.828	20	5		CBBDHM
NC(=O)N[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1	ZINC001327688862	885453970	/nfs/dbraw/zinc/45/39/70/885453970.db2.gz	RUISWGQHUZQPAD-ZCFIWIBFSA-N	-1	3	267.245	-0.058	20	5		CBBDHM
NC(=O)C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1	ZINC001329208596	885967689	/nfs/dbraw/zinc/96/76/89/885967689.db2.gz	OLVYSIRPYRQJCQ-SSDOTTSWSA-N	-1	3	282.256	-0.224	20	5		CBBDHM
NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000070243601	351636749	/nfs/dbraw/zinc/63/67/49/351636749.db2.gz	UKHLQJAHGDFIDT-UHFFFAOYSA-N	-1	3	259.243	-0.642	20	5		CBBDHM
COC(=O)CCCO[N-]C(=O)c1[nH]ncc1[N+](=O)[O-]	ZINC000290806654	352679583	/nfs/dbraw/zinc/67/95/83/352679583.db2.gz	YPZPYOHAIISBBI-UHFFFAOYSA-N	-1	3	272.217	-0.068	20	5		CBBDHM
O=C1[N-]C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)C[C@@H]12	ZINC000351902569	353477819	/nfs/dbraw/zinc/47/78/19/353477819.db2.gz	ZYOUQBQGCSPHAP-QMMMGPOBSA-N	-1	3	277.240	-0.270	20	5		CBBDHM
O=C1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CN1	ZINC000358884122	353650796	/nfs/dbraw/zinc/65/07/96/353650796.db2.gz	NIAFMRZEUCHIJU-SSDOTTSWSA-N	-1	3	285.281	-0.238	20	5		CBBDHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1cccc([N+](=O)[O-])c1	ZINC000536535091	354606725	/nfs/dbraw/zinc/60/67/25/354606725.db2.gz	AWCPBTBQYISTDH-VIFPVBQESA-N	-1	3	292.251	-0.191	20	5		CBBDHM
O=C(NC[C@H]1CNCCO1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000565891022	354747476	/nfs/dbraw/zinc/74/74/76/354747476.db2.gz	GLFGGWIEOPSWSX-MRVPVSSYSA-N	-1	3	282.256	-0.586	20	5		CBBDHM
COCCN(CCn1ccc([N+](=O)[O-])n1)CC(=O)[O-]	ZINC000568068130	354809181	/nfs/dbraw/zinc/80/91/81/354809181.db2.gz	FAFFXLYUKCVHGL-UHFFFAOYSA-N	-1	3	272.261	-0.176	20	5		CBBDHM
CN(C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000588865171	355062403	/nfs/dbraw/zinc/06/24/03/355062403.db2.gz	XMSSTLLEFCDXLJ-QMMMGPOBSA-N	-1	3	283.284	-0.047	20	5		CBBDHM
CNC(=O)CN1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1	ZINC000596058901	355339918	/nfs/dbraw/zinc/33/99/18/355339918.db2.gz	LJVRGORXOAWHLM-UHFFFAOYSA-N	-1	3	295.299	-0.437	20	5		CBBDHM
O=c1[n-]ccc(N2CCN(CCO)CC2)c1[N+](=O)[O-]	ZINC000596056144	355340274	/nfs/dbraw/zinc/34/02/74/355340274.db2.gz	RYIGNULIBJIHDC-UHFFFAOYSA-N	-1	3	268.273	-0.190	20	5		CBBDHM
O=c1[n-]ccc(NCCn2ncnn2)c1[N+](=O)[O-]	ZINC000596159315	355346717	/nfs/dbraw/zinc/34/67/17/355346717.db2.gz	GKPOXQVUAPSPHE-UHFFFAOYSA-N	-1	3	251.206	-0.206	20	5		CBBDHM
CN(C)S(=O)(=O)CCNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC000596242186	355350783	/nfs/dbraw/zinc/35/07/83/355350783.db2.gz	QGANPXWEOLVIIV-UHFFFAOYSA-N	-1	3	290.301	-0.001	20	5		CBBDHM
O=C(NCCN1CC[C@@H](O)C1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000600839839	355569035	/nfs/dbraw/zinc/56/90/35/355569035.db2.gz	RLCLXVUBFZJQHE-SECBINFHSA-N	-1	3	296.283	-0.508	20	5		CBBDHM
COC(=O)c1nc[n-]c1NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000550080969	374229552	/nfs/dbraw/zinc/22/95/52/374229552.db2.gz	YQBOEBYHRAECRT-UHFFFAOYSA-N	-1	3	294.227	-0.060	20	5		CBBDHM
COC(=O)c1[n-]cnc1NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000550080969	374229563	/nfs/dbraw/zinc/22/95/63/374229563.db2.gz	YQBOEBYHRAECRT-UHFFFAOYSA-N	-1	3	294.227	-0.060	20	5		CBBDHM
Cc1[n-][nH]c(=O)c1CCNc1ncc([N+](=O)[O-])cn1	ZINC000546886134	420418127	/nfs/dbraw/zinc/41/81/27/420418127.db2.gz	FYMMQYIHWUTUTB-QMMMGPOBSA-N	-1	3	264.245	0.309	20	5		CBBDHM
CN(C)CCN(CC(=O)[O-])C(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000820539762	582573465	/nfs/dbraw/zinc/57/34/65/582573465.db2.gz	XNEFKXPODBYSFU-UHFFFAOYSA-N	-1	3	299.287	-0.583	20	5		CBBDHM
O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2COC[C@H]2O)cs1	ZINC000832462611	583026230	/nfs/dbraw/zinc/02/62/30/583026230.db2.gz	HEPMWASMKPJHOD-RNFRBKRXSA-N	-1	3	294.310	-0.306	20	5		CBBDHM
C[S@@](=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000845860099	583340841	/nfs/dbraw/zinc/34/08/41/583340841.db2.gz	VSBCYWDJYQXCTO-QGZVFWFLSA-N	-1	3	293.326	-0.353	20	5		CBBDHM
CN(C)CCO[N-]C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000854945318	583629017	/nfs/dbraw/zinc/62/90/17/583629017.db2.gz	GDLGDQROFFPDNE-UHFFFAOYSA-N	-1	3	284.272	-0.634	20	5		CBBDHM
O=C([N-]OCCN1CCCC1=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000856045250	583655082	/nfs/dbraw/zinc/65/50/82/583655082.db2.gz	PAGAZKDUUAIYBY-HTQZYQBOSA-N	-1	3	257.246	-0.678	20	5		CBBDHM
Cn1ncc([N+](=O)[O-])c1C(=O)[N-]OC(C)(C)CO	ZINC000857284632	583669347	/nfs/dbraw/zinc/66/93/47/583669347.db2.gz	PIAZFOLESHWMRE-UHFFFAOYSA-N	-1	3	258.234	-0.239	20	5		CBBDHM
CC(C)[C@H](CO)O[N-]C(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000857286254	583669961	/nfs/dbraw/zinc/66/99/61/583669961.db2.gz	VZZGRWINYOHCJS-ZETCQYMHSA-N	-1	3	258.234	-0.004	20	5		CBBDHM
CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(N)=O	ZINC001101935370	811138458	/nfs/dbraw/zinc/13/84/58/811138458.db2.gz	OHQIUHKCVFKHBS-UHFFFAOYSA-N	-1	3	283.244	-0.949	20	5		CBBDHM
CC(=O)N(CCO)CCNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001111422950	811547539	/nfs/dbraw/zinc/54/75/39/811547539.db2.gz	FLLAHGUFSJOCSI-UHFFFAOYSA-N	-1	3	284.272	-0.052	20	5		CBBDHM
COc1nc(-n2[n-]c(=O)nc2CN)ncc1[N+](=O)[O-]	ZINC001157932952	815486353	/nfs/dbraw/zinc/48/63/53/815486353.db2.gz	AHVSWCUFBUZTQR-UHFFFAOYSA-N	-1	3	267.205	-0.862	20	5		CBBDHM
Cc1[n-][nH]c(=O)c1CCNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC001136654049	814565664	/nfs/dbraw/zinc/56/56/64/814565664.db2.gz	PRCFOLBIRZMIPA-VIFPVBQESA-N	-1	3	294.271	-0.581	20	5		CBBDHM
CCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nnn[n-]1	ZINC001294421694	816539722	/nfs/dbraw/zinc/53/97/22/816539722.db2.gz	FNVXOBDHCCOEAE-DSYKOEDSSA-N	-1	3	254.250	-0.178	20	5		CBBDHM
NCc1nc(=O)[n-]n1-c1c(F)c([N+](=O)[O-])cc[n+]1[O-]	ZINC001168755478	820174890	/nfs/dbraw/zinc/17/48/90/820174890.db2.gz	CXWKFRZAVDHYHX-UHFFFAOYSA-N	-1	3	270.180	-0.888	20	5		CBBDHM
COc1ccc([N+](=O)[O-])c(-n2[n-]c(=O)nc2CN)n1	ZINC001168755899	820176140	/nfs/dbraw/zinc/17/61/40/820176140.db2.gz	GNMFCFZZNICERN-UHFFFAOYSA-N	-1	3	266.217	-0.257	20	5		CBBDHM
NC(=O)[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1	ZINC001261648060	826556601	/nfs/dbraw/zinc/55/66/01/826556601.db2.gz	QRKDTPPLGPNZOP-SSDOTTSWSA-N	-1	3	268.229	-0.614	20	5		CBBDHM
O=C(CNc1cc[n-]c(=O)c1[N+](=O)[O-])NCCO	ZINC001327658126	885444812	/nfs/dbraw/zinc/44/48/12/885444812.db2.gz	FWGGGDSTFJFWOS-UHFFFAOYSA-N	-1	3	256.218	-0.784	20	5		CBBDHM
O=c1[n-]ccc(N2CC[C@H](CO)[C@H](O)C2)c1[N+](=O)[O-]	ZINC001333710854	887749466	/nfs/dbraw/zinc/74/94/66/887749466.db2.gz	XISDAIODZXVHNN-VXNVDRBHSA-N	-1	3	269.257	-0.125	20	5		CBBDHM
CN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC001455784343	914408514	/nfs/dbraw/zinc/40/85/14/914408514.db2.gz	YYIDYYBPXPIIMD-UHFFFAOYSA-N	-1	3	283.284	-0.046	20	5		CBBDHM
COC(=O)[C@]1(O)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1	ZINC001472862201	915773084	/nfs/dbraw/zinc/77/30/84/915773084.db2.gz	VICHJXXTVJBGDO-NSHDSACASA-N	-1	3	283.240	-0.190	20	5		CBBDHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C2)nc1	ZINC001475369398	915935691	/nfs/dbraw/zinc/93/56/91/915935691.db2.gz	BCIWKBMIHBRUBW-WRXNHJIOSA-N	-1	3	273.270	-0.209	20	5		CBBDHM
CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001497391064	920297219	/nfs/dbraw/zinc/29/72/19/920297219.db2.gz	NEXPZGRQYDJENF-HTQZYQBOSA-N	-1	3	298.303	-0.886	20	5		CBBDHM
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1C[C@H](O)CN1	ZINC000236538102	352290502	/nfs/dbraw/zinc/29/05/02/352290502.db2.gz	PVAVVTBRCFRTKW-IONNQARKSA-N	-1	3	267.241	-0.038	20	5		CBBDHM
O=C1[N-]C(=O)N2CCN(CCn3cc([N+](=O)[O-])cn3)C[C@@H]12	ZINC000332196440	352939395	/nfs/dbraw/zinc/93/93/95/352939395.db2.gz	CAJUZYCIEVZZLK-VIFPVBQESA-N	-1	3	294.271	-0.973	20	5		CBBDHM
O=C(C[C@H]1NC(=O)[N-]C1=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000339974922	353139093	/nfs/dbraw/zinc/13/90/93/353139093.db2.gz	FCPDDOQVPCOGAA-SECBINFHSA-N	-1	3	292.251	-0.191	20	5		CBBDHM
O=C(CN1CC(=O)[N-]C1=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000346552465	353382460	/nfs/dbraw/zinc/38/24/60/353382460.db2.gz	VHWWRJLZQRSKIP-UHFFFAOYSA-N	-1	3	292.251	-0.237	20	5		CBBDHM
CN1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1	ZINC000358427196	353643710	/nfs/dbraw/zinc/64/37/10/353643710.db2.gz	VJFFTIBGWHCPTQ-LBPRGKRZSA-N	-1	3	296.283	-0.508	20	5		CBBDHM
O=C(NC[C@@H]1CNCCO1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000565891023	354747359	/nfs/dbraw/zinc/74/73/59/354747359.db2.gz	GLFGGWIEOPSWSX-QMMMGPOBSA-N	-1	3	282.256	-0.586	20	5		CBBDHM
CCn1cc(S(=O)(=O)[N-]C2CNC2)c([N+](=O)[O-])n1	ZINC000572761155	354896765	/nfs/dbraw/zinc/89/67/65/354896765.db2.gz	ZPISCYZUTDCSOJ-UHFFFAOYSA-N	-1	3	275.290	-0.939	20	5		CBBDHM
CN(C)C[C@@H](CO)NC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000590370333	355076477	/nfs/dbraw/zinc/07/64/77/355076477.db2.gz	XPXNPWHOMVREGJ-QMMMGPOBSA-N	-1	3	283.284	-0.047	20	5		CBBDHM
O=C(CCn1cc([N+](=O)[O-])cn1)[N-]c1nnc2[nH]cnn12	ZINC000590377932	355076930	/nfs/dbraw/zinc/07/69/30/355076930.db2.gz	OHVVFZQTSYDZIL-UHFFFAOYSA-N	-1	3	291.231	-0.414	20	5		CBBDHM
COCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593530364	355208912	/nfs/dbraw/zinc/20/89/12/355208912.db2.gz	JTTASMPVGGNUKY-UHFFFAOYSA-N	-1	3	261.259	-0.086	20	5		CBBDHM
O=C1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CN1	ZINC000593575228	355210762	/nfs/dbraw/zinc/21/07/62/355210762.db2.gz	FELVKHYEQDTTSI-LURJTMIESA-N	-1	3	286.269	-0.843	20	5		CBBDHM
CS(=O)(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC000596071874	355340971	/nfs/dbraw/zinc/34/09/71/355340971.db2.gz	URSVATWOBDMDNH-UHFFFAOYSA-N	-1	3	276.274	-0.344	20	5		CBBDHM
O=C1CN(CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCN1	ZINC000596173365	355346526	/nfs/dbraw/zinc/34/65/26/355346526.db2.gz	USSGVDRYUASPLU-UHFFFAOYSA-N	-1	3	295.299	-0.071	20	5		CBBDHM
COCC1(O)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1	ZINC000596250589	355350957	/nfs/dbraw/zinc/35/09/57/355350957.db2.gz	GYKKWGNGDKHCMU-UHFFFAOYSA-N	-1	3	255.230	-0.107	20	5		CBBDHM
CN(C)C[C@H](CO)NC(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000597653572	355403438	/nfs/dbraw/zinc/40/34/38/355403438.db2.gz	LWALPOMREKBALK-MRVPVSSYSA-N	-1	3	283.284	-0.047	20	5		CBBDHM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCNC2)n1	ZINC000599095982	355463427	/nfs/dbraw/zinc/46/34/27/355463427.db2.gz	JWMMTHAJJPEYLC-ZETCQYMHSA-N	-1	3	289.317	-0.641	20	5		CBBDHM
COc1nc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n[n-]1	ZINC000355605647	373136850	/nfs/dbraw/zinc/13/68/50/373136850.db2.gz	LXIZIYRHPDUVLZ-UHFFFAOYSA-N	-1	3	294.227	-0.478	20	5		CBBDHM
COc1nnc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[n-]1	ZINC000355605647	373136857	/nfs/dbraw/zinc/13/68/57/373136857.db2.gz	LXIZIYRHPDUVLZ-UHFFFAOYSA-N	-1	3	294.227	-0.478	20	5		CBBDHM
COc1n[n-]c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1	ZINC000355605647	373136863	/nfs/dbraw/zinc/13/68/63/373136863.db2.gz	LXIZIYRHPDUVLZ-UHFFFAOYSA-N	-1	3	294.227	-0.478	20	5		CBBDHM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1nnc[nH]1	ZINC000531909327	374152898	/nfs/dbraw/zinc/15/28/98/374152898.db2.gz	YNPGFXAIFPZNDN-UHFFFAOYSA-N	-1	3	298.284	-0.371	20	5		CBBDHM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1nc[nH]n1	ZINC000531909327	374152904	/nfs/dbraw/zinc/15/29/04/374152904.db2.gz	YNPGFXAIFPZNDN-UHFFFAOYSA-N	-1	3	298.284	-0.371	20	5		CBBDHM
CO[C@@H]1C[C@H](C(=O)[O-])N(CCn2cc([N+](=O)[O-])cn2)C1	ZINC000574697358	335040563	/nfs/dbraw/zinc/04/05/63/335040563.db2.gz	RACPAJKPNWTRFX-NXEZZACHSA-N	-1	3	284.272	-0.035	20	5		CBBDHM
COc1nnc(NC(=O)CCn2cc([N+](=O)[O-])cn2)[n-]1	ZINC000179373337	533185114	/nfs/dbraw/zinc/18/51/14/533185114.db2.gz	SRFOUZAWPWJSRU-UHFFFAOYSA-N	-1	3	281.232	-0.053	20	5		CBBDHM
COc1nc(NC(=O)CCn2cc([N+](=O)[O-])cn2)n[n-]1	ZINC000179373337	533185125	/nfs/dbraw/zinc/18/51/25/533185125.db2.gz	SRFOUZAWPWJSRU-UHFFFAOYSA-N	-1	3	281.232	-0.053	20	5		CBBDHM
COc1n[n-]c(NC(=O)CCn2cc([N+](=O)[O-])cn2)n1	ZINC000179373337	533185131	/nfs/dbraw/zinc/18/51/31/533185131.db2.gz	SRFOUZAWPWJSRU-UHFFFAOYSA-N	-1	3	281.232	-0.053	20	5		CBBDHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCO	ZINC000035610752	172296313	/nfs/dbraw/zinc/29/63/13/172296313.db2.gz	JZFWWJWMXRVVJI-UHFFFAOYSA-N	-1	3	276.270	-0.126	20	5		CBBDHM
CNC(=O)Cn1nc([N-]c2c([N+](=O)[O-])ncn2C)cc1C	ZINC000348112603	419802515	/nfs/dbraw/zinc/80/25/15/419802515.db2.gz	CNBZERNTYPKJEO-UHFFFAOYSA-N	-1	3	293.287	0.323	20	5		CBBDHM
CN(C)CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000193148403	269573499	/nfs/dbraw/zinc/57/34/99/269573499.db2.gz	FYJFDNNAMWVLRI-UHFFFAOYSA-N	-1	3	254.246	-0.013	20	5		CBBDHM
Nc1c(C(=O)NN2CC(=O)[N-]C2=O)cc(F)cc1[N+](=O)[O-]	ZINC000743288412	582276312	/nfs/dbraw/zinc/27/63/12/582276312.db2.gz	VLRNTIXVIYLQNG-UHFFFAOYSA-N	-1	3	297.202	-0.487	20	5		CBBDHM
Nc1c(C(=O)[N-]N2CC(=O)NC2=O)cc(F)cc1[N+](=O)[O-]	ZINC000743288412	582276313	/nfs/dbraw/zinc/27/63/13/582276313.db2.gz	VLRNTIXVIYLQNG-UHFFFAOYSA-N	-1	3	297.202	-0.487	20	5		CBBDHM
O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1cnn[n-]1	ZINC000805605907	582434379	/nfs/dbraw/zinc/43/43/79/582434379.db2.gz	RIWMUUIQINKSOD-UHFFFAOYSA-N	-1	3	279.212	-0.268	20	5		CBBDHM
O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1c[n-]nn1	ZINC000805605907	582434380	/nfs/dbraw/zinc/43/43/80/582434380.db2.gz	RIWMUUIQINKSOD-UHFFFAOYSA-N	-1	3	279.212	-0.268	20	5		CBBDHM
O=[N+]([O-])c1ccc(NC[C@@H](O)CO)c(-c2nnn[n-]2)c1	ZINC000823639678	582676067	/nfs/dbraw/zinc/67/60/67/582676067.db2.gz	FPJCJIHRLRBTDV-SSDOTTSWSA-N	-1	3	280.244	-0.460	20	5		CBBDHM
O=[N+]([O-])c1ccc(NC[C@@H](O)CO)c(-c2nn[n-]n2)c1	ZINC000823639678	582676069	/nfs/dbraw/zinc/67/60/69/582676069.db2.gz	FPJCJIHRLRBTDV-SSDOTTSWSA-N	-1	3	280.244	-0.460	20	5		CBBDHM
O=[N+]([O-])c1cnc(NCCOCCO)c(-c2nnn[n-]2)c1	ZINC000823652310	582676390	/nfs/dbraw/zinc/67/63/90/582676390.db2.gz	ZPARAPRWCIDYQF-UHFFFAOYSA-N	-1	3	295.259	-0.409	20	5		CBBDHM
O=[N+]([O-])c1cnc(NCCOCCO)c(-c2nn[n-]n2)c1	ZINC000823652310	582676391	/nfs/dbraw/zinc/67/63/91/582676391.db2.gz	ZPARAPRWCIDYQF-UHFFFAOYSA-N	-1	3	295.259	-0.409	20	5		CBBDHM
COCCO[N-]C(=O)c1ccnc(N)c1[N+](=O)[O-]	ZINC000847548656	583409967	/nfs/dbraw/zinc/40/99/67/583409967.db2.gz	WMDWANWICAKJCM-UHFFFAOYSA-N	-1	3	256.218	-0.120	20	5		CBBDHM
CNC(=O)CC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001093568028	810671262	/nfs/dbraw/zinc/67/12/62/810671262.db2.gz	NEWMMMZUHKGJJA-UHFFFAOYSA-N	-1	3	297.271	-0.640	20	5		CBBDHM
COC(=O)c1cc([N+](=O)[O-])cnc1-n1[n-]c(=O)nc1CN	ZINC001157933630	815486427	/nfs/dbraw/zinc/48/64/27/815486427.db2.gz	ZOFKSLFHNPGTSH-UHFFFAOYSA-N	-1	3	294.227	-0.479	20	5		CBBDHM
O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](c2nnn[n-]2)C1	ZINC001302936430	816758783	/nfs/dbraw/zinc/75/87/83/816758783.db2.gz	HWTIHPSHHAZFAY-FSDSQADBSA-N	-1	3	252.234	-0.819	20	5		CBBDHM
COc1ncc([N+](=O)[O-])cc1-n1[n-]c(=O)nc1CN	ZINC001168761853	820180649	/nfs/dbraw/zinc/18/06/49/820180649.db2.gz	XRLZWUFGLDYDFW-UHFFFAOYSA-N	-1	3	266.217	-0.257	20	5		CBBDHM
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2nnn[n-]2)CC1	ZINC001174941730	820419169	/nfs/dbraw/zinc/41/91/69/820419169.db2.gz	WCQOFYMSKLXINO-HTQZYQBOSA-N	-1	3	266.261	-0.429	20	5		CBBDHM
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](Cc2nnn[n-]2)C1	ZINC001177869891	820546809	/nfs/dbraw/zinc/54/68/09/820546809.db2.gz	FICKITCWKUISOQ-DJLDLDEBSA-N	-1	3	280.288	-0.354	20	5		CBBDHM
CN1CCO[C@H](COc2nccc([O-])c2[N+](=O)[O-])C1=O	ZINC001225668190	825260589	/nfs/dbraw/zinc/26/05/89/825260589.db2.gz	ZUBUACFKINVRPD-MRVPVSSYSA-N	-1	3	283.240	-0.069	20	5		CBBDHM
CN(CCNS(C)(=O)=O)c1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001328008877	885551276	/nfs/dbraw/zinc/55/12/76/885551276.db2.gz	GHRMIRJVRDXGOR-UHFFFAOYSA-N	-1	3	290.301	-0.319	20	5		CBBDHM
CNC(=O)[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1	ZINC001330043298	886339426	/nfs/dbraw/zinc/33/94/26/886339426.db2.gz	QXPZCBBFBJDRCK-MRVPVSSYSA-N	-1	3	282.256	-0.353	20	5		CBBDHM
C[C@@H]1C(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])[nH]2)C(=O)N1C	ZINC001470309256	915469203	/nfs/dbraw/zinc/46/92/03/915469203.db2.gz	PRVZUYVXCASFIK-RXMQYKEDSA-N	-1	3	281.228	-0.150	20	5		CBBDHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000339974926	353139339	/nfs/dbraw/zinc/13/93/39/353139339.db2.gz	FCPDDOQVPCOGAA-VIFPVBQESA-N	-1	3	292.251	-0.191	20	5		CBBDHM
CN1CC[C@@](O)(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1	ZINC000445207101	354280539	/nfs/dbraw/zinc/28/05/39/354280539.db2.gz	BTWBDDAQXJXPGG-GFCCVEGCSA-N	-1	3	296.283	-0.508	20	5		CBBDHM
CO[C@H]1C[C@@H](C(=O)[O-])N(CCn2ccc([N+](=O)[O-])n2)C1	ZINC000568067127	354809691	/nfs/dbraw/zinc/80/96/91/354809691.db2.gz	MXEDICLMCNDOBQ-IUCAKERBSA-N	-1	3	284.272	-0.035	20	5		CBBDHM
CN(C)C[C@H](CO)NC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000590370331	355076435	/nfs/dbraw/zinc/07/64/35/355076435.db2.gz	XPXNPWHOMVREGJ-MRVPVSSYSA-N	-1	3	283.284	-0.047	20	5		CBBDHM
CN(C)C[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000588864495	355061930	/nfs/dbraw/zinc/06/19/30/355061930.db2.gz	KQOYVCCFTIFLEY-MRVPVSSYSA-N	-1	3	283.284	-0.047	20	5		CBBDHM
C[C@H](CO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593550243	355209873	/nfs/dbraw/zinc/20/98/73/355209873.db2.gz	RUJDGECBDSALDT-ZETCQYMHSA-N	-1	3	275.286	-0.104	20	5		CBBDHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2[C@@H]3COC[C@@H]32)nc1	ZINC000593592680	355211318	/nfs/dbraw/zinc/21/13/18/355211318.db2.gz	XMPSGDVKKZGGIM-MBTKJCJQSA-N	-1	3	285.281	-0.087	20	5		CBBDHM
COCCN1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1=O	ZINC000596178337	355347087	/nfs/dbraw/zinc/34/70/87/355347087.db2.gz	IMEUYLINXDFLGM-UHFFFAOYSA-N	-1	3	296.283	-0.010	20	5		CBBDHM
CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000597655612	355404196	/nfs/dbraw/zinc/40/41/96/355404196.db2.gz	YZSXSDFHDZNMME-MRVPVSSYSA-N	-1	3	283.284	-0.047	20	5		CBBDHM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCNC2CC2)n1	ZINC000599097497	355463419	/nfs/dbraw/zinc/46/34/19/355463419.db2.gz	JNAQOSWLLQPARU-UHFFFAOYSA-N	-1	3	289.317	-0.641	20	5		CBBDHM
O=C1[N-]C(=O)N2CCN(c3ncc([N+](=O)[O-])s3)C[C@@H]12	ZINC000619697305	356223594	/nfs/dbraw/zinc/22/35/94/356223594.db2.gz	LXEIBVPIHPQFEJ-YFKPBYRVSA-N	-1	3	283.269	-0.208	20	5		CBBDHM
O=C1[N-]C(=O)N2CCN(c3ncc([N+](=O)[O-])s3)C[C@H]12	ZINC000619697304	356223770	/nfs/dbraw/zinc/22/37/70/356223770.db2.gz	LXEIBVPIHPQFEJ-RXMQYKEDSA-N	-1	3	283.269	-0.208	20	5		CBBDHM
CNC(=O)[C@@H](CO)[N-]c1nc2sccn2c1[N+](=O)[O-]	ZINC000302160985	201374201	/nfs/dbraw/zinc/37/42/01/201374201.db2.gz	PMNOMBRSSPUULU-RXMQYKEDSA-N	-1	3	285.285	-0.177	20	5		CBBDHM
COc1ccc(S(=O)(=O)[N-]CCO)c([N+](=O)[O-])c1	ZINC000035610863	172296776	/nfs/dbraw/zinc/29/67/76/172296776.db2.gz	AAVXHOHSTGQICU-UHFFFAOYSA-N	-1	3	276.270	-0.126	20	5		CBBDHM
COC[C@H](O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000071270884	176104337	/nfs/dbraw/zinc/10/43/37/176104337.db2.gz	URGUUCRBXSSNBS-MRVPVSSYSA-N	-1	3	290.297	-0.120	20	5		CBBDHM
CO[C@H]1C[C@@H](C(=O)[O-])N(CCn2cc([N+](=O)[O-])cn2)C1	ZINC000574697359	327366742	/nfs/dbraw/zinc/36/67/42/327366742.db2.gz	RACPAJKPNWTRFX-UWVGGRQHSA-N	-1	3	284.272	-0.035	20	5		CBBDHM
COc1cccc(C(=O)[N-]OCC(N)=O)c1[N+](=O)[O-]	ZINC000768178622	582333583	/nfs/dbraw/zinc/33/35/83/582333583.db2.gz	CFGGIYHRHUDFGO-UHFFFAOYSA-N	-1	3	269.213	-0.250	20	5		CBBDHM
CN1CCC(O[N-]C(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000773550819	582347970	/nfs/dbraw/zinc/34/79/70/582347970.db2.gz	GGHXTSIGNWJNDI-UHFFFAOYSA-N	-1	3	283.288	-0.067	20	5		CBBDHM
Cn1nnnc1[N-]C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000779466286	582361243	/nfs/dbraw/zinc/36/12/43/582361243.db2.gz	BBXLDONPKVNXOG-UHFFFAOYSA-N	-1	3	266.221	-0.656	20	5		CBBDHM
O=C1C[C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CN1	ZINC000780838089	582364641	/nfs/dbraw/zinc/36/46/41/582364641.db2.gz	XXCLDLPPXQZWMS-RXMQYKEDSA-N	-1	3	291.310	-0.177	20	5		CBBDHM
Cn1c(C(=O)[N-]N2CN=NC2=O)ccc1[N+](=O)[O-]	ZINC000782128562	582367712	/nfs/dbraw/zinc/36/77/12/582367712.db2.gz	YODPJTJOGFNOIR-UHFFFAOYSA-N	-1	3	252.190	-0.386	20	5		CBBDHM
COC(=O)CCCO[N-]C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000811562310	582451072	/nfs/dbraw/zinc/45/10/72/582451072.db2.gz	MIPNFLLKOUCATM-UHFFFAOYSA-N	-1	3	286.244	-0.057	20	5		CBBDHM
NC(=O)NCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1	ZINC000822880257	582651204	/nfs/dbraw/zinc/65/12/04/582651204.db2.gz	LYSLPYOAWKRLJV-UHFFFAOYSA-N	-1	3	293.247	-0.750	20	5		CBBDHM
NC(=O)NCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1	ZINC000822880257	582651206	/nfs/dbraw/zinc/65/12/06/582651206.db2.gz	LYSLPYOAWKRLJV-UHFFFAOYSA-N	-1	3	293.247	-0.750	20	5		CBBDHM
CO[N-]C(=O)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000857332595	583671135	/nfs/dbraw/zinc/67/11/35/583671135.db2.gz	YKYKEYKAMQFCEN-JTQLQIEISA-N	-1	3	269.257	-0.105	20	5		CBBDHM
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC(CO)CO	ZINC000738357123	599323423	/nfs/dbraw/zinc/32/34/23/599323423.db2.gz	BZVMEFVAUGDIKK-UHFFFAOYSA-N	-1	3	280.244	-0.460	20	5		CBBDHM
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC(CO)CO	ZINC000738357123	599323425	/nfs/dbraw/zinc/32/34/25/599323425.db2.gz	BZVMEFVAUGDIKK-UHFFFAOYSA-N	-1	3	280.244	-0.460	20	5		CBBDHM
NC(=O)C(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1	ZINC001059803972	802594324	/nfs/dbraw/zinc/59/43/24/802594324.db2.gz	NOPBFISNSLIQBG-OLQVQODUSA-N	-1	3	295.255	-0.760	20	5		CBBDHM
CCN(CCNC(=O)C(N)=O)c1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001100706087	811074264	/nfs/dbraw/zinc/07/42/64/811074264.db2.gz	MQBPLQYRAZFBIC-UHFFFAOYSA-N	-1	3	297.271	-0.877	20	5		CBBDHM
CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(N)=O	ZINC001105543455	811232519	/nfs/dbraw/zinc/23/25/19/811232519.db2.gz	BNMAWSSSHBYXCE-UHFFFAOYSA-N	-1	3	297.271	-0.925	20	5		CBBDHM
NCc1nc(=O)[n-]n1-c1nc(Cl)ncc1[N+](=O)[O-]	ZINC001157933093	815486308	/nfs/dbraw/zinc/48/63/08/815486308.db2.gz	HQSUSUVASBJNKT-UHFFFAOYSA-N	-1	3	271.624	-0.217	20	5		CBBDHM
COc1cc(-n2[n-]c(=O)nc2CN)ncc1[N+](=O)[O-]	ZINC001157934411	815487348	/nfs/dbraw/zinc/48/73/48/815487348.db2.gz	YBPPYXSXBOBAFU-UHFFFAOYSA-N	-1	3	266.217	-0.257	20	5		CBBDHM
NC(=O)[C@@H](CO)[N-]c1ncc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001158443743	815532411	/nfs/dbraw/zinc/53/24/11/815532411.db2.gz	NZODTCQBCBHDJP-RXMQYKEDSA-N	-1	3	271.189	-0.844	20	5		CBBDHM
COc1cnc(-n2[n-]c(=O)nc2CN)cc1[N+](=O)[O-]	ZINC001168756887	820178559	/nfs/dbraw/zinc/17/85/59/820178559.db2.gz	XOSDIHZJZDRDTB-UHFFFAOYSA-N	-1	3	266.217	-0.257	20	5		CBBDHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2COCO2)nc1	ZINC001212107711	824501968	/nfs/dbraw/zinc/50/19/68/824501968.db2.gz	GNDORGGSYVTVIY-QMMMGPOBSA-N	-1	3	289.269	-0.359	20	5		CBBDHM
O=c1[n-]ccc(N2C[C@H](O)C[C@H](O)C2)c1[N+](=O)[O-]	ZINC001350474753	890990606	/nfs/dbraw/zinc/99/06/06/890990606.db2.gz	SRMSQQWUBWTJBZ-KNVOCYPGSA-N	-1	3	255.230	-0.373	20	5		CBBDHM
COC(=O)[C@@]1(O)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1	ZINC001472862199	915772783	/nfs/dbraw/zinc/77/27/83/915772783.db2.gz	VICHJXXTVJBGDO-LLVKDONJSA-N	-1	3	283.240	-0.190	20	5		CBBDHM
NC(=O)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000143889108	351926206	/nfs/dbraw/zinc/92/62/06/351926206.db2.gz	WCIRSFCNKQJAOX-UHFFFAOYSA-N	-1	3	273.270	-0.252	20	5		CBBDHM
Cc1ncc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)c(=O)[n-]1	ZINC000345100267	353310159	/nfs/dbraw/zinc/31/01/59/353310159.db2.gz	DHUBLLGKMPZZJX-UHFFFAOYSA-N	-1	3	292.255	-0.088	20	5		CBBDHM
Cc1ncc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)c(=O)[n-]1	ZINC000345116157	353311254	/nfs/dbraw/zinc/31/12/54/353311254.db2.gz	BYNILKBLXWAPMD-UHFFFAOYSA-N	-1	3	292.255	-0.088	20	5		CBBDHM
CSc1nnc(NC(=O)Cn2cnc([N+](=O)[O-])n2)[n-]1	ZINC000354757339	353582715	/nfs/dbraw/zinc/58/27/15/353582715.db2.gz	ANLUADCKBZWUOO-UHFFFAOYSA-N	-1	3	284.261	-0.335	20	5		CBBDHM
CSc1n[n-]c(NC(=O)Cn2cnc([N+](=O)[O-])n2)n1	ZINC000354757339	353582717	/nfs/dbraw/zinc/58/27/17/353582717.db2.gz	ANLUADCKBZWUOO-UHFFFAOYSA-N	-1	3	284.261	-0.335	20	5		CBBDHM
CSc1nc(NC(=O)Cn2cnc([N+](=O)[O-])n2)n[n-]1	ZINC000354757339	353582721	/nfs/dbraw/zinc/58/27/21/353582721.db2.gz	ANLUADCKBZWUOO-UHFFFAOYSA-N	-1	3	284.261	-0.335	20	5		CBBDHM
COC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593527794	355208676	/nfs/dbraw/zinc/20/86/76/355208676.db2.gz	KBEJMLSCBGAODY-LURJTMIESA-N	-1	3	289.269	-0.170	20	5		CBBDHM
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(N)=O	ZINC000593532282	355208808	/nfs/dbraw/zinc/20/88/08/355208808.db2.gz	ZVYUPQYLYWNFSA-RXMQYKEDSA-N	-1	3	274.258	-0.858	20	5		CBBDHM
C[C@H](CC(N)=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593550958	355209677	/nfs/dbraw/zinc/20/96/77/355209677.db2.gz	OSCZOSVFHMITBR-ZCFIWIBFSA-N	-1	3	288.285	-0.468	20	5		CBBDHM
C[C@H](O)C(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1	ZINC000596179569	355347443	/nfs/dbraw/zinc/34/74/43/355347443.db2.gz	XBCMSYLSCCEXMM-QMMMGPOBSA-N	-1	3	296.283	-0.275	20	5		CBBDHM
CN(C)C[C@H](CO)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000597654559	355403414	/nfs/dbraw/zinc/40/34/14/355403414.db2.gz	UJLDWSBYAUBWHB-SECBINFHSA-N	-1	3	283.284	-0.047	20	5		CBBDHM
NC(=O)[N-]C(=O)OCCCn1cc([N+](=O)[O-])ccc1=O	ZINC000264999794	190150855	/nfs/dbraw/zinc/15/08/55/190150855.db2.gz	MAKQMQQMBQOVSF-UHFFFAOYSA-N	-1	3	284.228	-0.049	20	5		CBBDHM
O=C1[N-]C(=O)N2CCN(CCn3ccc([N+](=O)[O-])n3)C[C@H]12	ZINC000352772467	227209963	/nfs/dbraw/zinc/20/99/63/227209963.db2.gz	QSFGTDCFADVIIB-MRVPVSSYSA-N	-1	3	294.271	-0.973	20	5		CBBDHM
CCc1[nH]nc(C(=O)[N-]c2nnc(C)n2C)c1[N+](=O)[O-]	ZINC000346093328	419786462	/nfs/dbraw/zinc/78/64/62/419786462.db2.gz	WBNFOMBGAGNLCS-UHFFFAOYSA-N	-1	3	279.260	0.570	20	5		CBBDHM
CN(C)c1n[nH]c([N-]C(=O)c2ccc([N+](=O)[O-])cn2)n1	ZINC000586877174	420476842	/nfs/dbraw/zinc/47/68/42/420476842.db2.gz	ZTEYSFHYQXAEKH-UHFFFAOYSA-N	-1	3	277.244	0.426	20	5		CBBDHM
O=[N+]([O-])c1ccc(NC[C@H](O)CO)c(-c2nnn[n-]2)c1	ZINC000823639680	582676092	/nfs/dbraw/zinc/67/60/92/582676092.db2.gz	FPJCJIHRLRBTDV-ZETCQYMHSA-N	-1	3	280.244	-0.460	20	5		CBBDHM
O=[N+]([O-])c1ccc(NC[C@H](O)CO)c(-c2nn[n-]n2)c1	ZINC000823639680	582676094	/nfs/dbraw/zinc/67/60/94/582676094.db2.gz	FPJCJIHRLRBTDV-ZETCQYMHSA-N	-1	3	280.244	-0.460	20	5		CBBDHM
O=[N+]([O-])c1ccc(N2C[C@@H](O)[C@@H](O)C2)c(-c2nnn[n-]2)c1	ZINC000823640258	582676156	/nfs/dbraw/zinc/67/61/56/582676156.db2.gz	ZBAUDZKPGGFJDH-AOOOYVTPSA-N	-1	3	292.255	-0.683	20	5		CBBDHM
O=[N+]([O-])c1ccc(N2C[C@@H](O)[C@@H](O)C2)c(-c2nn[n-]n2)c1	ZINC000823640258	582676157	/nfs/dbraw/zinc/67/61/57/582676157.db2.gz	ZBAUDZKPGGFJDH-AOOOYVTPSA-N	-1	3	292.255	-0.683	20	5		CBBDHM
O=C([O-])N[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000832386794	583023437	/nfs/dbraw/zinc/02/34/37/583023437.db2.gz	MULTZLLTNZBDOU-SCZZXKLOSA-N	-1	3	299.287	-0.506	20	5		CBBDHM
C[S@](=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000845860098	583340846	/nfs/dbraw/zinc/34/08/46/583340846.db2.gz	VSBCYWDJYQXCTO-KRWDZBQOSA-N	-1	3	293.326	-0.353	20	5		CBBDHM
CNc1nccc(C(=O)[N-]OCCO)c1[N+](=O)[O-]	ZINC000847756263	583415868	/nfs/dbraw/zinc/41/58/68/583415868.db2.gz	GDERQQNPYSQSMO-UHFFFAOYSA-N	-1	3	256.218	-0.315	20	5		CBBDHM
Cc1noc(COC(=O)CN2CC(=O)[N-]C2=O)c1[N+](=O)[O-]	ZINC000853897794	583591660	/nfs/dbraw/zinc/59/16/60/583591660.db2.gz	RYHCRHLXUOBRBE-UHFFFAOYSA-N	-1	3	298.211	-0.514	20	5		CBBDHM
Cn1ncc([N+](=O)[O-])c1C(=O)[N-]OCCN1CCCC1=O	ZINC000856042019	583654199	/nfs/dbraw/zinc/65/41/99/583654199.db2.gz	PGEAQASWZOUKDC-UHFFFAOYSA-N	-1	3	297.271	-0.388	20	5		CBBDHM
CC(C)[C@H](CO)O[N-]C(=O)c1[nH]ncc1[N+](=O)[O-]	ZINC000857286393	583669942	/nfs/dbraw/zinc/66/99/42/583669942.db2.gz	ZSSGATVBUDZHFH-ZETCQYMHSA-N	-1	3	258.234	-0.004	20	5		CBBDHM
COCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001093487177	810658014	/nfs/dbraw/zinc/65/80/14/810658014.db2.gz	DKWSRQFAMVNAAI-UHFFFAOYSA-N	-1	3	270.245	-0.130	20	5		CBBDHM
COCC(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001099897071	810961608	/nfs/dbraw/zinc/96/16/08/810961608.db2.gz	QGQQGNWFYWKLGY-UHFFFAOYSA-N	-1	3	284.272	-0.106	20	5		CBBDHM
CN(CCNC(=O)CC(N)=O)c1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001099970811	810980420	/nfs/dbraw/zinc/98/04/20/810980420.db2.gz	KVGONXNLFJQMKZ-UHFFFAOYSA-N	-1	3	297.271	-0.877	20	5		CBBDHM
NCc1nc(=O)[n-]n1-c1ncc([N+](=O)[O-])cc1N	ZINC001157940807	815490080	/nfs/dbraw/zinc/49/00/80/815490080.db2.gz	ILAZSHPQOPXOLC-UHFFFAOYSA-N	-1	3	251.206	-0.683	20	5		CBBDHM
Cc1cc(=O)[n-]c(CNC(=O)Cn2ccc([N+](=O)[O-])n2)n1	ZINC001164370274	819911220	/nfs/dbraw/zinc/91/12/20/819911220.db2.gz	YLHBWXVBQHEURS-UHFFFAOYSA-N	-1	3	292.255	-0.088	20	5		CBBDHM
CNc1cc([N+](=O)[O-])cnc1-n1[n-]c(=O)nc1CN	ZINC001168756373	820176915	/nfs/dbraw/zinc/17/69/15/820176915.db2.gz	QDFXMEQYTVSYTR-UHFFFAOYSA-N	-1	3	265.233	-0.224	20	5		CBBDHM
COc1cc(-n2[n-]c(=O)nc2CN)cnc1[N+](=O)[O-]	ZINC001168760705	820178233	/nfs/dbraw/zinc/17/82/33/820178233.db2.gz	DOQKSUGLDYLDAF-UHFFFAOYSA-N	-1	3	266.217	-0.257	20	5		CBBDHM
O=C1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CO1	ZINC001212007257	824496939	/nfs/dbraw/zinc/49/69/39/824496939.db2.gz	XVXMUAQCEIPRRT-LURJTMIESA-N	-1	3	287.253	-0.416	20	5		CBBDHM
CN1CC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC001213799297	824516528	/nfs/dbraw/zinc/51/65/28/824516528.db2.gz	AIAYYJYVGMHGKC-QMMMGPOBSA-N	-1	3	286.313	-0.028	20	5		CBBDHM
Cn1ncc([N+](=O)[O-])c1C(=O)NCCCc1cc(=O)[nH][n-]1	ZINC001330831305	886589932	/nfs/dbraw/zinc/58/99/32/886589932.db2.gz	IEFSJLAIYQKTQI-UHFFFAOYSA-N	-1	3	294.271	-0.286	20	5		CBBDHM
C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O	ZINC000010518412	351329294	/nfs/dbraw/zinc/32/92/94/351329294.db2.gz	JGLICGWVWBQYCQ-LURJTMIESA-N	-1	3	273.270	-0.253	20	5		CBBDHM
CN(C)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000021185519	351354876	/nfs/dbraw/zinc/35/48/76/351354876.db2.gz	JWTYAOSFRKJAEW-UHFFFAOYSA-N	-1	3	287.297	-0.039	20	5		CBBDHM
CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000046171797	351453959	/nfs/dbraw/zinc/45/39/59/351453959.db2.gz	VJPOEFGLOOYQJV-UHFFFAOYSA-N	-1	3	273.270	-0.381	20	5		CBBDHM
O=C(Nc1nc[nH]n1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000063244288	351581764	/nfs/dbraw/zinc/58/17/64/351581764.db2.gz	MHNRQIYRTUBFDA-UHFFFAOYSA-N	-1	3	250.174	-0.347	20	5		CBBDHM
O=C(NCCCc1nc[nH]n1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000080570043	351697954	/nfs/dbraw/zinc/69/79/54/351697954.db2.gz	BZEXEMWNYVSKLF-UHFFFAOYSA-N	-1	3	292.255	-0.236	20	5		CBBDHM
COc1nnc(NC(=O)Cn2cc([N+](=O)[O-])cn2)[n-]1	ZINC000129435988	351870589	/nfs/dbraw/zinc/87/05/89/351870589.db2.gz	RKDJVZPBBIPGBQ-UHFFFAOYSA-N	-1	3	267.205	-0.443	20	5		CBBDHM
COc1nc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n[n-]1	ZINC000129435988	351870591	/nfs/dbraw/zinc/87/05/91/351870591.db2.gz	RKDJVZPBBIPGBQ-UHFFFAOYSA-N	-1	3	267.205	-0.443	20	5		CBBDHM
COc1n[n-]c(NC(=O)Cn2cc([N+](=O)[O-])cn2)n1	ZINC000129435988	351870593	/nfs/dbraw/zinc/87/05/93/351870593.db2.gz	RKDJVZPBBIPGBQ-UHFFFAOYSA-N	-1	3	267.205	-0.443	20	5		CBBDHM
CCn1cc(S(=O)(=O)[N-]CCN(C)C)c([N+](=O)[O-])n1	ZINC000330461953	352829156	/nfs/dbraw/zinc/82/91/56/352829156.db2.gz	XUSBISCQVMLEDU-UHFFFAOYSA-N	-1	3	291.333	-0.349	20	5		CBBDHM
NC(=O)[C@@H](CO)[N-]c1nc2sccn2c1[N+](=O)[O-]	ZINC000343268315	353262340	/nfs/dbraw/zinc/26/23/40/353262340.db2.gz	IOMKCTZHCXLSPM-SCSAIBSYSA-N	-1	3	271.258	-0.438	20	5		CBBDHM
CN(C)C[C@@H](CO)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000588864453	355062235	/nfs/dbraw/zinc/06/22/35/355062235.db2.gz	JIFMVTNOHPERMR-VIFPVBQESA-N	-1	3	283.284	-0.047	20	5		CBBDHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCN2CCC2)nc1	ZINC000593568249	355209665	/nfs/dbraw/zinc/20/96/65/355209665.db2.gz	VHCXQGMIKRDSDE-UHFFFAOYSA-N	-1	3	286.313	-0.026	20	5		CBBDHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)CCF)nc1	ZINC000593658514	355214241	/nfs/dbraw/zinc/21/42/41/355214241.db2.gz	QNNFXJRAHWSDTO-SSDOTTSWSA-N	-1	3	293.276	-0.011	20	5		CBBDHM
C[C@@H](O)C(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1	ZINC000596179510	355347364	/nfs/dbraw/zinc/34/73/64/355347364.db2.gz	XBCMSYLSCCEXMM-MRVPVSSYSA-N	-1	3	296.283	-0.275	20	5		CBBDHM
O=C1CN(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCN1	ZINC000596189888	355347522	/nfs/dbraw/zinc/34/75/22/355347522.db2.gz	MWVRRCRHFNOAHE-UHFFFAOYSA-N	-1	3	281.272	-0.461	20	5		CBBDHM
CN(C)C[C@@H](CO)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000597654560	355403656	/nfs/dbraw/zinc/40/36/56/355403656.db2.gz	UJLDWSBYAUBWHB-VIFPVBQESA-N	-1	3	283.284	-0.047	20	5		CBBDHM
O=C(CN1CC(=O)[N-]C1=O)NCc1cccc([N+](=O)[O-])c1	ZINC000522238706	373863789	/nfs/dbraw/zinc/86/37/89/373863789.db2.gz	LAILNFBMEXSEAS-UHFFFAOYSA-N	-1	3	292.251	-0.237	20	5		CBBDHM
CCOC(=O)c1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])n[n-]1	ZINC000549201559	420424065	/nfs/dbraw/zinc/42/40/65/420424065.db2.gz	LKJCCYZHQCHSSZ-UHFFFAOYSA-N	-1	3	294.227	0.470	20	5		CBBDHM
CCOC(=O)c1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])[n-]n1	ZINC000549201559	420424069	/nfs/dbraw/zinc/42/40/69/420424069.db2.gz	LKJCCYZHQCHSSZ-UHFFFAOYSA-N	-1	3	294.227	0.470	20	5		CBBDHM
NC(=O)[N-]C(=O)OCCCn1cnc([N+](=O)[O-])c1	ZINC000494107020	534387678	/nfs/dbraw/zinc/38/76/78/534387678.db2.gz	LUQAJUOBDYCRGO-UHFFFAOYSA-N	-1	3	257.206	-0.014	20	5		CBBDHM
CC(C)c1n[nH]c(C(=O)[N-]OCC(N)=O)c1[N+](=O)[O-]	ZINC000772949018	582346351	/nfs/dbraw/zinc/34/63/51/582346351.db2.gz	OHAMVWARSYJOJB-UHFFFAOYSA-N	-1	3	271.233	-0.412	20	5		CBBDHM
COc1c(C(=O)NN2CC(=O)[N-]C2=O)cccc1[N+](=O)[O-]	ZINC000793085391	582396964	/nfs/dbraw/zinc/39/69/64/582396964.db2.gz	NXLIRRISPXYTCW-UHFFFAOYSA-N	-1	3	294.223	-0.200	20	5		CBBDHM
COC[C@@H](O)C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000801705961	582425126	/nfs/dbraw/zinc/42/51/26/582425126.db2.gz	FRHWGATVDMIADO-LURJTMIESA-N	-1	3	296.326	-0.058	20	5		CBBDHM
Nc1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1[N+](=O)[O-]	ZINC000819905598	582545474	/nfs/dbraw/zinc/54/54/74/582545474.db2.gz	RSGWXCHRSWVRRB-ZETCQYMHSA-N	-1	3	293.239	-0.286	20	5		CBBDHM
CN(C)CCN(CC(=O)[O-])C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000820539643	582573689	/nfs/dbraw/zinc/57/36/89/582573689.db2.gz	UYJLKFKLCDWEEM-UHFFFAOYSA-N	-1	3	285.260	-0.594	20	5		CBBDHM
CNC(=O)CN(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1	ZINC000821632905	582613702	/nfs/dbraw/zinc/61/37/02/582613702.db2.gz	OEAGRSXSKZFMNT-UHFFFAOYSA-N	-1	3	291.271	-0.043	20	5		CBBDHM
Cc1ncc([N+](=O)[O-])cc1C(=O)NN1CC(=O)[N-]C1=O	ZINC001322044730	803855029	/nfs/dbraw/zinc/85/50/29/803855029.db2.gz	SNOFYUKABCDNNQ-UHFFFAOYSA-N	-1	3	279.212	-0.505	20	5		CBBDHM
Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]N1CC(=O)NC1=O	ZINC001322044730	803855039	/nfs/dbraw/zinc/85/50/39/803855039.db2.gz	SNOFYUKABCDNNQ-UHFFFAOYSA-N	-1	3	279.212	-0.505	20	5		CBBDHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCn2cncn2)nc1	ZINC001309163519	816828706	/nfs/dbraw/zinc/82/87/06/816828706.db2.gz	KEVFOHXSNDSOOG-UHFFFAOYSA-N	-1	3	298.284	-0.440	20	5		CBBDHM
CN1CC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC001213799296	824516120	/nfs/dbraw/zinc/51/61/20/824516120.db2.gz	AIAYYJYVGMHGKC-MRVPVSSYSA-N	-1	3	286.313	-0.028	20	5		CBBDHM
O=c1[n-]ccc(N2CC[C@@H](CO)[C@H](O)C2)c1[N+](=O)[O-]	ZINC001333710852	887749750	/nfs/dbraw/zinc/74/97/50/887749750.db2.gz	XISDAIODZXVHNN-IONNQARKSA-N	-1	3	269.257	-0.125	20	5		CBBDHM
COc1nnc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)[n-]1	ZINC000271287650	191052503	/nfs/dbraw/zinc/05/25/03/191052503.db2.gz	PNVTUAKFUDMPHQ-UHFFFAOYSA-N	-1	3	281.232	-0.135	20	5		CBBDHM
COc1nc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)n[n-]1	ZINC000271287650	191052506	/nfs/dbraw/zinc/05/25/06/191052506.db2.gz	PNVTUAKFUDMPHQ-UHFFFAOYSA-N	-1	3	281.232	-0.135	20	5		CBBDHM
COc1n[n-]c(NC(=O)Cn2cc([N+](=O)[O-])nc2C)n1	ZINC000271287650	191052508	/nfs/dbraw/zinc/05/25/08/191052508.db2.gz	PNVTUAKFUDMPHQ-UHFFFAOYSA-N	-1	3	281.232	-0.135	20	5		CBBDHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCOCCO	ZINC000052925271	351522138	/nfs/dbraw/zinc/52/21/38/351522138.db2.gz	NLVIJLUJJPILBX-UHFFFAOYSA-N	-1	3	290.297	-0.118	20	5		CBBDHM
O=C(NCc1cnc[nH]1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000088759054	351727274	/nfs/dbraw/zinc/72/72/74/351727274.db2.gz	KWRSESQHKKLSEL-UHFFFAOYSA-N	-1	3	263.213	-0.064	20	5		CBBDHM
NC(=O)[N-]C(=O)OCCCn1cccc([N+](=O)[O-])c1=O	ZINC000269377300	352468659	/nfs/dbraw/zinc/46/86/59/352468659.db2.gz	RAPLRGNNSJPZMN-UHFFFAOYSA-N	-1	3	284.228	-0.049	20	5		CBBDHM
CN1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1	ZINC000358427195	353643554	/nfs/dbraw/zinc/64/35/54/353643554.db2.gz	VJFFTIBGWHCPTQ-GFCCVEGCSA-N	-1	3	296.283	-0.508	20	5		CBBDHM
CN(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593521618	355207879	/nfs/dbraw/zinc/20/78/79/355207879.db2.gz	CEABFXSKKGWPPZ-UHFFFAOYSA-N	-1	3	274.302	-0.170	20	5		CBBDHM
CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000597655614	355404480	/nfs/dbraw/zinc/40/44/80/355404480.db2.gz	YZSXSDFHDZNMME-QMMMGPOBSA-N	-1	3	283.284	-0.047	20	5		CBBDHM
O=C1[N-]C(=O)N2CCN(c3cccnc3[N+](=O)[O-])C[C@H]12	ZINC000611509902	355803977	/nfs/dbraw/zinc/80/39/77/355803977.db2.gz	YCHYCRDGDCGYDX-MRVPVSSYSA-N	-1	3	277.240	-0.270	20	5		CBBDHM
CNC(=O)[C@H](CO)[N-]c1nc2sccn2c1[N+](=O)[O-]	ZINC000302160986	201374842	/nfs/dbraw/zinc/37/48/42/201374842.db2.gz	PMNOMBRSSPUULU-YFKPBYRVSA-N	-1	3	285.285	-0.177	20	5		CBBDHM
Cn1cnc([N+](=O)[O-])c1[N-]c1ccn(CC(N)=O)n1	ZINC000340684232	419720917	/nfs/dbraw/zinc/72/09/17/419720917.db2.gz	ZWHWCQDVJCELJG-UHFFFAOYSA-N	-1	3	265.233	-0.246	20	5		CBBDHM
O=C([N-]c1nnc2nc[nH]n12)c1ccc([N+](=O)[O-])cn1	ZINC000590379837	420477783	/nfs/dbraw/zinc/47/77/83/420477783.db2.gz	RDSCCZSJCIVEHA-UHFFFAOYSA-N	-1	3	274.200	0.008	20	5		CBBDHM
O=C([N-]c1nnc2[nH]cnn12)c1ccc([N+](=O)[O-])o1	ZINC000590551954	420479154	/nfs/dbraw/zinc/47/91/54/420479154.db2.gz	ABSGLIGWLBFLHY-UHFFFAOYSA-N	-1	3	263.173	0.206	20	5		CBBDHM
O=C([N-]c1n[nH]c2ncnn12)c1ccc([N+](=O)[O-])o1	ZINC000590551954	420479157	/nfs/dbraw/zinc/47/91/57/420479157.db2.gz	ABSGLIGWLBFLHY-UHFFFAOYSA-N	-1	3	263.173	0.206	20	5		CBBDHM
NC(=O)CC[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000119575053	582117703	/nfs/dbraw/zinc/11/77/03/582117703.db2.gz	FANNDUKDPBSUIR-UHFFFAOYSA-N	-1	3	279.299	-0.190	20	5		CBBDHM
CN(CC(N)=O)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1	ZINC000736789281	582220739	/nfs/dbraw/zinc/22/07/39/582220739.db2.gz	VZHSBDGXFGVSGZ-UHFFFAOYSA-N	-1	3	278.232	-0.909	20	5		CBBDHM
CN(CC(N)=O)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1	ZINC000736789281	582220741	/nfs/dbraw/zinc/22/07/41/582220741.db2.gz	VZHSBDGXFGVSGZ-UHFFFAOYSA-N	-1	3	278.232	-0.909	20	5		CBBDHM
O=C(OCCn1cc([N+](=O)[O-])cn1)c1cnn[n-]1	ZINC000805605650	582434480	/nfs/dbraw/zinc/43/44/80/582434480.db2.gz	LYVVMFAVYRKYAP-UHFFFAOYSA-N	-1	3	252.190	-0.234	20	5		CBBDHM
O=C(OCCn1cc([N+](=O)[O-])cn1)c1c[n-]nn1	ZINC000805605650	582434481	/nfs/dbraw/zinc/43/44/81/582434481.db2.gz	LYVVMFAVYRKYAP-UHFFFAOYSA-N	-1	3	252.190	-0.234	20	5		CBBDHM
CN(C[C@H](O)CO)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000825953303	582751604	/nfs/dbraw/zinc/75/16/04/582751604.db2.gz	DLUODOURDPRDRY-QMMMGPOBSA-N	-1	3	294.271	-0.436	20	5		CBBDHM
CN(C[C@H](O)CO)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000825953303	582751608	/nfs/dbraw/zinc/75/16/08/582751608.db2.gz	DLUODOURDPRDRY-QMMMGPOBSA-N	-1	3	294.271	-0.436	20	5		CBBDHM
O=C1NCC[C@@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000849410788	583481846	/nfs/dbraw/zinc/48/18/46/583481846.db2.gz	QXRYELWDKZLZEK-LURJTMIESA-N	-1	3	291.310	-0.177	20	5		CBBDHM
CO[N-]C(=O)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000857332596	583671062	/nfs/dbraw/zinc/67/10/62/583671062.db2.gz	YKYKEYKAMQFCEN-SNVBAGLBSA-N	-1	3	269.257	-0.105	20	5		CBBDHM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cnc[nH]2)n1	ZINC000599353498	656174308	/nfs/dbraw/zinc/17/43/08/656174308.db2.gz	HXRITQNPNPYPDS-UHFFFAOYSA-N	-1	3	286.273	-0.470	20	5		CBBDHM
COC(=O)c1ccnc(-n2[n-]c(=O)nc2CN)c1[N+](=O)[O-]	ZINC001157933443	815485525	/nfs/dbraw/zinc/48/55/25/815485525.db2.gz	CJGTVOPGUVTYJN-UHFFFAOYSA-N	-1	3	294.227	-0.479	20	5		CBBDHM
COc1nc(C)c([N+](=O)[O-])c(-n2[n-]c(=O)nc2CN)n1	ZINC001157934378	815487744	/nfs/dbraw/zinc/48/77/44/815487744.db2.gz	WJMLXCUCBKGSGL-UHFFFAOYSA-N	-1	3	281.232	-0.553	20	5		CBBDHM
O=c1[n-]ccc(NC[C@H](O)Cn2ccnn2)c1[N+](=O)[O-]	ZINC001118596894	812585661	/nfs/dbraw/zinc/58/56/61/812585661.db2.gz	SJOHAGDOTBBNTH-ZETCQYMHSA-N	-1	3	280.244	-0.240	20	5		CBBDHM
CCC(CC)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nnn[n-]1	ZINC001297486978	816646044	/nfs/dbraw/zinc/64/60/44/816646044.db2.gz	CEHBRSPZFFKMEZ-RNFRBKRXSA-N	-1	3	268.277	-0.004	20	5		CBBDHM
COc1cc([N+](=O)[O-])cnc1-n1[n-]c(=O)nc1CN	ZINC001168757146	820177899	/nfs/dbraw/zinc/17/78/99/820177899.db2.gz	YZAZHQATJSZABZ-UHFFFAOYSA-N	-1	3	266.217	-0.257	20	5		CBBDHM
Cn1cc(-n2[n-]c(=O)nc2CN)cc([N+](=O)[O-])c1=O	ZINC001168760714	820178489	/nfs/dbraw/zinc/17/84/89/820178489.db2.gz	FKIGHWAIKNZUCL-UHFFFAOYSA-N	-1	3	266.217	-0.962	20	5		CBBDHM
CN1CCO[C@@H](COc2nccc([O-])c2[N+](=O)[O-])C1=O	ZINC001225668191	825260083	/nfs/dbraw/zinc/26/00/83/825260083.db2.gz	ZUBUACFKINVRPD-QMMMGPOBSA-N	-1	3	283.240	-0.069	20	5		CBBDHM
Cc1nnc(=O)[n-]c1O[C@@H]1COc2nc([N+](=O)[O-])cn2C1	ZINC001226463160	825279594	/nfs/dbraw/zinc/27/95/94/825279594.db2.gz	DAHIELQCKDTPGR-LURJTMIESA-N	-1	3	294.227	-0.170	20	5		CBBDHM
CNC(=O)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-]	ZINC001474816344	915905046	/nfs/dbraw/zinc/90/50/46/915905046.db2.gz	RJZDSABKTNTLIW-UHFFFAOYSA-N	-1	3	293.326	-0.011	20	5		CBBDHM
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(N)=O	ZINC000055214470	351541919	/nfs/dbraw/zinc/54/19/19/351541919.db2.gz	UAIDCGBGJQRAPK-YFKPBYRVSA-N	-1	3	291.260	-0.114	20	5		CBBDHM
C[C@H](CN(C)c1ncc([N+](=O)[O-])c(N)n1)c1nnn[n-]1	ZINC000132907848	351896243	/nfs/dbraw/zinc/89/62/43/351896243.db2.gz	HWDVAWYSSODCLB-RXMQYKEDSA-N	-1	3	279.264	-0.280	20	5		CBBDHM
C[C@H](CN(C)c1ncc([N+](=O)[O-])c(N)n1)c1nn[n-]n1	ZINC000132907848	351896245	/nfs/dbraw/zinc/89/62/45/351896245.db2.gz	HWDVAWYSSODCLB-RXMQYKEDSA-N	-1	3	279.264	-0.280	20	5		CBBDHM
O=C(C[C@H]1NC(=O)[N-]C1=O)NCc1ccccc1[N+](=O)[O-]	ZINC000339973483	353139394	/nfs/dbraw/zinc/13/93/94/353139394.db2.gz	FDAFAPQOBWZWDG-MRVPVSSYSA-N	-1	3	292.251	-0.191	20	5		CBBDHM
CCOC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593541899	355208784	/nfs/dbraw/zinc/20/87/84/355208784.db2.gz	PRIWXEDMXMLBAS-UHFFFAOYSA-N	-1	3	289.269	-0.169	20	5		CBBDHM
NC(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593530791	355208869	/nfs/dbraw/zinc/20/88/69/355208869.db2.gz	MJFWMNHEIUPBRU-UHFFFAOYSA-N	-1	3	274.258	-0.857	20	5		CBBDHM
CN1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1	ZINC000593534450	355209071	/nfs/dbraw/zinc/20/90/71/355209071.db2.gz	AAWYYNZZJNBVNQ-QMMMGPOBSA-N	-1	3	286.313	-0.028	20	5		CBBDHM
COC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593562284	355209724	/nfs/dbraw/zinc/20/97/24/355209724.db2.gz	KBEJMLSCBGAODY-ZCFIWIBFSA-N	-1	3	289.269	-0.170	20	5		CBBDHM
NC(=O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1	ZINC000593562331	355209735	/nfs/dbraw/zinc/20/97/35/355209735.db2.gz	FSUGJBAOTKDQIS-UHFFFAOYSA-N	-1	3	286.269	-0.714	20	5		CBBDHM
C[C@@H](CC(N)=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593550957	355209847	/nfs/dbraw/zinc/20/98/47/355209847.db2.gz	OSCZOSVFHMITBR-LURJTMIESA-N	-1	3	288.285	-0.468	20	5		CBBDHM
C[C@@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])N(C)C	ZINC000599320776	355479849	/nfs/dbraw/zinc/47/98/49/355479849.db2.gz	GARZTGVDWBRRID-ZETCQYMHSA-N	-1	3	291.333	-0.443	20	5		CBBDHM
O=C(NCCN1CC[C@@H](O)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000600536357	355556636	/nfs/dbraw/zinc/55/66/36/355556636.db2.gz	SGQAGRXKYQSDHT-SECBINFHSA-N	-1	3	296.283	-0.508	20	5		CBBDHM
O=C1[N-]C(=O)N2CCN(c3cccnc3[N+](=O)[O-])C[C@@H]12	ZINC000611509905	355803922	/nfs/dbraw/zinc/80/39/22/355803922.db2.gz	YCHYCRDGDCGYDX-QMMMGPOBSA-N	-1	3	277.240	-0.270	20	5		CBBDHM
NC(=O)c1nn[n-]c1NC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000362421961	373408611	/nfs/dbraw/zinc/40/86/11/373408611.db2.gz	WAHFFIOOFMJCOW-UHFFFAOYSA-N	-1	3	290.239	-0.007	20	5		CBBDHM
NC(=O)c1[n-]nnc1NC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000362421961	373408625	/nfs/dbraw/zinc/40/86/25/373408625.db2.gz	WAHFFIOOFMJCOW-UHFFFAOYSA-N	-1	3	290.239	-0.007	20	5		CBBDHM
NC(=O)c1n[n-]nc1NC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000362421961	373408634	/nfs/dbraw/zinc/40/86/34/373408634.db2.gz	WAHFFIOOFMJCOW-UHFFFAOYSA-N	-1	3	290.239	-0.007	20	5		CBBDHM
Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000552011147	374256949	/nfs/dbraw/zinc/25/69/49/374256949.db2.gz	YZQQWRRRKRDKFW-ZCFIWIBFSA-N	-1	3	280.244	-0.440	20	5		CBBDHM
COCCN(CCn1cc([N+](=O)[O-])cn1)CC(=O)[O-]	ZINC000519681783	420386694	/nfs/dbraw/zinc/38/66/94/420386694.db2.gz	SDEFGUIXBDRENM-UHFFFAOYSA-N	-1	3	272.261	-0.176	20	5		CBBDHM
CN(C)[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H]1O	ZINC000560633299	327332805	/nfs/dbraw/zinc/33/28/05/327332805.db2.gz	CFMHABDKEYNWGI-UWVGGRQHSA-N	-1	3	296.283	-0.558	20	5		CBBDHM
CO[C@@H]1C[C@@H](C(=O)[O-])N(CCn2cc([N+](=O)[O-])cn2)C1	ZINC000574697361	327366810	/nfs/dbraw/zinc/36/68/10/327366810.db2.gz	RACPAJKPNWTRFX-ZJUUUORDSA-N	-1	3	284.272	-0.035	20	5		CBBDHM
CN(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@H]1O	ZINC000576656624	335231987	/nfs/dbraw/zinc/23/19/87/335231987.db2.gz	SVVIZACBMRRLTH-UWVGGRQHSA-N	-1	3	296.283	-0.558	20	5		CBBDHM
O=C(Cn1cc([N+](=O)[O-])ccc1=O)[N-]C1=NCCS1	ZINC000748598754	582288437	/nfs/dbraw/zinc/28/84/37/582288437.db2.gz	QSNRLMXNXGLUST-UHFFFAOYSA-N	-1	3	282.281	-0.025	20	5		CBBDHM
NC(=O)CO[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	ZINC000772936421	582346265	/nfs/dbraw/zinc/34/62/65/582346265.db2.gz	RGDVETJVYXCGOT-UHFFFAOYSA-N	-1	3	297.223	-0.487	20	5		CBBDHM
Cc1nn(CCC(=O)[N-]OCC(N)=O)c(C)c1[N+](=O)[O-]	ZINC000772948723	582346341	/nfs/dbraw/zinc/34/63/41/582346341.db2.gz	LDYAADDQYYHEER-UHFFFAOYSA-N	-1	3	285.260	-0.669	20	5		CBBDHM
O=C([O-])C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000819281169	582531236	/nfs/dbraw/zinc/53/12/36/582531236.db2.gz	MDXYUHWOJGVQMH-LLVKDONJSA-N	-1	3	298.299	-0.051	20	5		CBBDHM
Nc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1[N+](=O)[O-]	ZINC000819905801	582545403	/nfs/dbraw/zinc/54/54/03/582545403.db2.gz	WTOQVVRCTSAWIU-UHFFFAOYSA-N	-1	3	293.239	-0.333	20	5		CBBDHM
CN(C)CCN(CC(=O)[O-])C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000820539796	582573652	/nfs/dbraw/zinc/57/36/52/582573652.db2.gz	XXOQDWBAAVDWBH-UHFFFAOYSA-N	-1	3	299.287	-0.583	20	5		CBBDHM
O=[N+]([O-])c1cc(N2CC(O)C2)ccc1-c1nnn[n-]1	ZINC000823635201	582675739	/nfs/dbraw/zinc/67/57/39/582675739.db2.gz	SXOBUMDBHADIAC-UHFFFAOYSA-N	-1	3	262.229	-0.044	20	5		CBBDHM
O=[N+]([O-])c1cnc(SC[C@@H](O)CO)c(-c2nnn[n-]2)c1	ZINC000823651994	582676426	/nfs/dbraw/zinc/67/64/26/582676426.db2.gz	VHPGDIZYEVLZIM-LURJTMIESA-N	-1	3	298.284	-0.385	20	5		CBBDHM
CN1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1=O	ZINC000826044165	582756017	/nfs/dbraw/zinc/75/60/17/582756017.db2.gz	AOEDOLRZMWNTFH-UHFFFAOYSA-N	-1	3	290.243	-0.594	20	5		CBBDHM
CN1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1=O	ZINC000826044165	582756019	/nfs/dbraw/zinc/75/60/19/582756019.db2.gz	AOEDOLRZMWNTFH-UHFFFAOYSA-N	-1	3	290.243	-0.594	20	5		CBBDHM
NC(=O)C(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1	ZINC001059393850	802586747	/nfs/dbraw/zinc/58/67/47/802586747.db2.gz	NOPBFISNSLIQBG-IZLXSQMJSA-N	-1	3	295.255	-0.760	20	5		CBBDHM
COc1nc(-n2[n-]c(=O)nc2CN)nc(OC)c1[N+](=O)[O-]	ZINC001157933661	815485856	/nfs/dbraw/zinc/48/58/56/815485856.db2.gz	HCUDZMKMLORZKS-UHFFFAOYSA-N	-1	3	297.231	-0.853	20	5		CBBDHM
NCc1nc(=O)[n-]n1-c1cc(N)c([N+](=O)[O-])cn1	ZINC001157934427	815487067	/nfs/dbraw/zinc/48/70/67/815487067.db2.gz	YYRGURAQEZHFTN-UHFFFAOYSA-N	-1	3	251.206	-0.683	20	5		CBBDHM
NC(=O)[C@H](CO)[N-]c1ncc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001158443744	815532536	/nfs/dbraw/zinc/53/25/36/815532536.db2.gz	NZODTCQBCBHDJP-YFKPBYRVSA-N	-1	3	271.189	-0.844	20	5		CBBDHM
NCc1nc(=O)[n-]n1-c1ncnc(Cl)c1[N+](=O)[O-]	ZINC001168755896	820176621	/nfs/dbraw/zinc/17/66/21/820176621.db2.gz	GDMIGYLGVSHOSB-UHFFFAOYSA-N	-1	3	271.624	-0.217	20	5		CBBDHM
NCc1nc(=O)[n-]n1-c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-]	ZINC001168757121	820179047	/nfs/dbraw/zinc/17/90/47/820179047.db2.gz	YBRCOOSUXGGUAD-UHFFFAOYSA-N	-1	3	286.635	-0.373	20	5		CBBDHM
COc1ccc(-n2[n-]c(=O)nc2CN)nc1[N+](=O)[O-]	ZINC001168757010	820179312	/nfs/dbraw/zinc/17/93/12/820179312.db2.gz	ZOHBYSNOMJIXJY-UHFFFAOYSA-N	-1	3	266.217	-0.257	20	5		CBBDHM
NC(=O)C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1	ZINC001329208599	885967483	/nfs/dbraw/zinc/96/74/83/885967483.db2.gz	OLVYSIRPYRQJCQ-ZETCQYMHSA-N	-1	3	282.256	-0.224	20	5		CBBDHM
O=C(Nn1ccnn1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC001556701103	924077708	/nfs/dbraw/zinc/07/77/08/924077708.db2.gz	AAIZCFMTURVTAK-UHFFFAOYSA-N	-1	3	250.174	-0.329	20	5		CBBDHM
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C1CNC1	ZINC000123833804	351854677	/nfs/dbraw/zinc/85/46/77/351854677.db2.gz	IZUSEIOERYOFFH-UHFFFAOYSA-N	-1	3	275.261	-0.016	20	5		CBBDHM
CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593533937	355208875	/nfs/dbraw/zinc/20/88/75/355208875.db2.gz	DRAXSOOUJWYZFV-LURJTMIESA-N	-1	3	288.285	-0.597	20	5		CBBDHM
CCNC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593525557	355208923	/nfs/dbraw/zinc/20/89/23/355208923.db2.gz	HONIMYVIVOMALS-UHFFFAOYSA-N	-1	3	288.285	-0.596	20	5		CBBDHM
CO[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1O	ZINC000596258178	355351887	/nfs/dbraw/zinc/35/18/87/355351887.db2.gz	WLAHVYVDJNTEDF-HTQZYQBOSA-N	-1	3	255.230	-0.109	20	5		CBBDHM
O=C(NCCCc1cc(=O)[nH][n-]1)c1cc([N+](=O)[O-])n[nH]1	ZINC000597663666	355404672	/nfs/dbraw/zinc/40/46/72/355404672.db2.gz	AFFAWERDUNRXLJ-UHFFFAOYSA-N	-1	3	280.244	-0.296	20	5		CBBDHM
CN(C)c1n[nH]c([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])n1	ZINC000340976464	215784249	/nfs/dbraw/zinc/78/42/49/215784249.db2.gz	HWZQHONIPJECPE-UHFFFAOYSA-N	-1	3	266.221	-0.246	20	5		CBBDHM
COC[C@@H](O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000071270886	176104178	/nfs/dbraw/zinc/10/41/78/176104178.db2.gz	URGUUCRBXSSNBS-QMMMGPOBSA-N	-1	3	290.297	-0.120	20	5		CBBDHM
C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C(N)=O	ZINC000119375919	582117494	/nfs/dbraw/zinc/11/74/94/582117494.db2.gz	AWXQNOHJNXSXGS-SCSAIBSYSA-N	-1	3	279.299	-0.192	20	5		CBBDHM
COCCO[N-]C(=O)c1c([N+](=O)[O-])c(C)nn1C	ZINC000748772623	582288598	/nfs/dbraw/zinc/28/85/98/582288598.db2.gz	LDWIXKHQTYHOIO-UHFFFAOYSA-N	-1	3	258.234	-0.055	20	5		CBBDHM
COc1ccc([N+](=O)[O-])c(C(=O)[N-]OCC(N)=O)c1	ZINC000772949024	582346389	/nfs/dbraw/zinc/34/63/89/582346389.db2.gz	OPRNATNEAZUZNF-UHFFFAOYSA-N	-1	3	269.213	-0.250	20	5		CBBDHM
Cn1ncc([N+](=O)[O-])c1C(=O)[N-]OCC(C)(C)O	ZINC000791262797	582392777	/nfs/dbraw/zinc/39/27/77/582392777.db2.gz	GIDVYUVHOKYCGS-UHFFFAOYSA-N	-1	3	258.234	-0.239	20	5		CBBDHM
CCn1ncn([N-]C(=O)c2ccc([N+](=O)[O-])n2C)c1=O	ZINC000816735608	582483032	/nfs/dbraw/zinc/48/30/32/582483032.db2.gz	ONMPKRNLPLJHSG-UHFFFAOYSA-N	-1	3	280.244	-0.305	20	5		CBBDHM
CC(CO)(CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000820281221	582562002	/nfs/dbraw/zinc/56/20/02/582562002.db2.gz	UEDYJYAUYHOUAE-UHFFFAOYSA-N	-1	3	294.271	-0.070	20	5		CBBDHM
CC(CO)(CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000820281221	582562003	/nfs/dbraw/zinc/56/20/03/582562003.db2.gz	UEDYJYAUYHOUAE-UHFFFAOYSA-N	-1	3	294.271	-0.070	20	5		CBBDHM
CCn1ncn([N-]C(=O)c2cc([N+](=O)[O-])ccc2N)c1=O	ZINC000820392144	582567284	/nfs/dbraw/zinc/56/72/84/582567284.db2.gz	UWMPZBLEVJIGJE-UHFFFAOYSA-N	-1	3	292.255	-0.061	20	5		CBBDHM
O=C(Cn1ccc([N+](=O)[O-])n1)[N-]c1nnnn1C1CC1	ZINC000821667728	582614579	/nfs/dbraw/zinc/61/45/79/582614579.db2.gz	XLQPZAGJDONNJE-UHFFFAOYSA-N	-1	3	278.232	-0.249	20	5		CBBDHM
O=C1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCN1	ZINC000823535783	582672498	/nfs/dbraw/zinc/67/24/98/582672498.db2.gz	HTPPVSFARDJNHI-UHFFFAOYSA-N	-1	3	289.255	-0.289	20	5		CBBDHM
C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1O	ZINC000824999987	582718689	/nfs/dbraw/zinc/71/86/89/582718689.db2.gz	LYXYBFKZBCJCDO-MUWHJKNJSA-N	-1	3	291.271	-0.013	20	5		CBBDHM
C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1O	ZINC000824999987	582718692	/nfs/dbraw/zinc/71/86/92/582718692.db2.gz	LYXYBFKZBCJCDO-MUWHJKNJSA-N	-1	3	291.271	-0.013	20	5		CBBDHM
O=[N+]([O-])c1cnc(N2CC(CCO)C2)c(-c2nnn[n-]2)c1	ZINC000826500555	582777480	/nfs/dbraw/zinc/77/74/80/582777480.db2.gz	BUTPMHVHWAGNIJ-UHFFFAOYSA-N	-1	3	291.271	-0.012	20	5		CBBDHM
O=[N+]([O-])c1cnc(N2CC(CCO)C2)c(-c2nn[n-]n2)c1	ZINC000826500555	582777482	/nfs/dbraw/zinc/77/74/82/582777482.db2.gz	BUTPMHVHWAGNIJ-UHFFFAOYSA-N	-1	3	291.271	-0.012	20	5		CBBDHM
CC(=O)NCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001093455279	810653715	/nfs/dbraw/zinc/65/37/15/810653715.db2.gz	DJZNUUZYBIFAFP-UHFFFAOYSA-N	-1	3	297.271	-0.640	20	5		CBBDHM
NCc1nc(=O)[n-]n1-c1ccc2ncc([N+](=O)[O-])n2c1	ZINC001168761509	820179759	/nfs/dbraw/zinc/17/97/59/820179759.db2.gz	RRBRXCLCGMLFFF-UHFFFAOYSA-N	-1	3	275.228	-0.013	20	5		CBBDHM
COC(=O)c1[n-]c(=O)nc(O[C@@H]2CCN(C)C2)c1[N+](=O)[O-]	ZINC001226653691	825285758	/nfs/dbraw/zinc/28/57/58/825285758.db2.gz	YRFRDLIMGVPYLY-ZCFIWIBFSA-N	-1	3	298.255	-0.040	20	5		CBBDHM
C[N+](C)(C)C[C@H](O)CC(=O)Oc1[n-]c(=O)nc2cn[n-]c21	ZINC001233936057	825442875	/nfs/dbraw/zinc/44/28/75/825442875.db2.gz	VJZMACXNEBFCPT-SSDOTTSWSA-O	-1	3	296.307	-0.627	20	5		CBBDHM
CN1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H](C(=O)[O-])C1	ZINC001328606406	885742760	/nfs/dbraw/zinc/74/27/60/885742760.db2.gz	JRXQKDYLTQGGFW-SSDOTTSWSA-N	-1	3	296.287	-0.580	20	5		CBBDHM
O=c1[n-]ccc(N2CC[C@H](CO)[C@@H](O)C2)c1[N+](=O)[O-]	ZINC001333710846	887749387	/nfs/dbraw/zinc/74/93/87/887749387.db2.gz	XISDAIODZXVHNN-APPZFPTMSA-N	-1	3	269.257	-0.125	20	5		CBBDHM
O=C(Cc1ccc(F)cc1[N+](=O)[O-])NN1CC(=O)[N-]C1=O	ZINC001457526461	914564894	/nfs/dbraw/zinc/56/48/94/914564894.db2.gz	ICEHPABVJWEMNR-UHFFFAOYSA-N	-1	3	296.214	-0.141	20	5		CBBDHM
O=c1[n-]ccc(N2CCn3c(CO)nnc3C2)c1[N+](=O)[O-]	ZINC001458367801	914647600	/nfs/dbraw/zinc/64/76/00/914647600.db2.gz	LJBCHUMIVPUBGP-UHFFFAOYSA-N	-1	3	292.255	-0.201	20	5		CBBDHM
O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(=O)[n-]cn1	ZINC001465881011	915073850	/nfs/dbraw/zinc/07/38/50/915073850.db2.gz	VIYVQQSAYHWBHV-UHFFFAOYSA-N	-1	3	278.228	-0.283	20	5		CBBDHM
C[C@H]1C(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])[nH]2)C(=O)N1C	ZINC001470309260	915468907	/nfs/dbraw/zinc/46/89/07/915468907.db2.gz	PRVZUYVXCASFIK-YFKPBYRVSA-N	-1	3	281.228	-0.150	20	5		CBBDHM
COC[C@@H](CO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000234886339	352285747	/nfs/dbraw/zinc/28/57/47/352285747.db2.gz	UWLYAVMHGGSONA-MRVPVSSYSA-N	-1	3	290.297	-0.120	20	5		CBBDHM
Cn1cnc([N-]C(=O)c2cc([N+](=O)[O-])cnc2N)n1	ZINC000573872193	334973776	/nfs/dbraw/zinc/97/37/76/334973776.db2.gz	FBLGCPXAXJFTPI-UHFFFAOYSA-N	-1	3	263.217	-0.047	20	5		CBBDHM
COc1cc(CNC[C@@H](O)CO)c([N+](=O)[O-])cc1[O-]	ZINC000276704292	352561157	/nfs/dbraw/zinc/56/11/57/352561157.db2.gz	FRYKCWJDVKQTHQ-MRVPVSSYSA-N	-1	3	272.257	-0.248	20	5		CBBDHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCn1ncnn1	ZINC000352870777	353508148	/nfs/dbraw/zinc/50/81/48/353508148.db2.gz	LQUQWYIXJUSJNT-UHFFFAOYSA-N	-1	3	298.284	-0.440	20	5		CBBDHM
COC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593527568	355208813	/nfs/dbraw/zinc/20/88/13/355208813.db2.gz	JDQSLMSGLIXWSZ-UHFFFAOYSA-N	-1	3	275.242	-0.559	20	5		CBBDHM
CN(C)C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593525598	355208822	/nfs/dbraw/zinc/20/88/22/355208822.db2.gz	ILPMFAXFRXPJCY-UHFFFAOYSA-N	-1	3	288.285	-0.644	20	5		CBBDHM
CN1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1	ZINC000593534449	355208938	/nfs/dbraw/zinc/20/89/38/355208938.db2.gz	AAWYYNZZJNBVNQ-MRVPVSSYSA-N	-1	3	286.313	-0.028	20	5		CBBDHM
CN(C)CC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594744788	355259933	/nfs/dbraw/zinc/25/99/33/355259933.db2.gz	PPFVNUHNLSWLLI-UHFFFAOYSA-N	-1	3	274.302	-0.170	20	5		CBBDHM
O=C1NCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000594790436	355262726	/nfs/dbraw/zinc/26/27/26/355262726.db2.gz	IYIQNLKFCDSANI-ZETCQYMHSA-N	-1	3	285.281	-0.238	20	5		CBBDHM
Cn1nnnc1CCNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC000596183699	355347236	/nfs/dbraw/zinc/34/72/36/355347236.db2.gz	YXBLNMLPGWLLIA-UHFFFAOYSA-N	-1	3	265.233	-0.127	20	5		CBBDHM
NC(=O)c1nn[n-]c1NC(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000362413211	373404624	/nfs/dbraw/zinc/40/46/24/373404624.db2.gz	WYSVQGOCYCKAIH-UHFFFAOYSA-N	-1	3	290.239	-0.007	20	5		CBBDHM
NC(=O)c1[n-]nnc1NC(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000362413211	373404630	/nfs/dbraw/zinc/40/46/30/373404630.db2.gz	WYSVQGOCYCKAIH-UHFFFAOYSA-N	-1	3	290.239	-0.007	20	5		CBBDHM
NC(=O)c1n[n-]nc1NC(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000362413211	373404634	/nfs/dbraw/zinc/40/46/34/373404634.db2.gz	WYSVQGOCYCKAIH-UHFFFAOYSA-N	-1	3	290.239	-0.007	20	5		CBBDHM
Cc1nc(=NC(=O)c2cc([N+](=O)[O-])[n-]n2)n(C)[nH]1	ZINC000356025188	228091599	/nfs/dbraw/zinc/09/15/99/228091599.db2.gz	PLLBYWCHJSIVCS-UHFFFAOYSA-N	-1	3	251.206	-0.571	20	5		CBBDHM
Cc1nc(=NC(=O)c2cc([N+](=O)[O-])n[n-]2)n(C)[nH]1	ZINC000356025188	228091600	/nfs/dbraw/zinc/09/16/00/228091600.db2.gz	PLLBYWCHJSIVCS-UHFFFAOYSA-N	-1	3	251.206	-0.571	20	5		CBBDHM
Nc1nc(NCc2ncccc2[O-])ncc1[N+](=O)[O-]	ZINC000359894641	419993109	/nfs/dbraw/zinc/99/31/09/419993109.db2.gz	CRNQOJPAQAZJKV-UHFFFAOYSA-N	-1	3	262.229	0.102	20	5		CBBDHM
NC(=O)C1([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1	ZINC000119978426	582117819	/nfs/dbraw/zinc/11/78/19/582117819.db2.gz	ZUUKATMWNNPYLU-UHFFFAOYSA-N	-1	3	291.310	-0.048	20	5		CBBDHM
CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1	ZINC000736866059	582224729	/nfs/dbraw/zinc/22/47/29/582224729.db2.gz	CEOHDXBXTWPZTH-UHFFFAOYSA-N	-1	3	290.287	-0.078	20	5		CBBDHM
CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1	ZINC000736866059	582224730	/nfs/dbraw/zinc/22/47/30/582224730.db2.gz	CEOHDXBXTWPZTH-UHFFFAOYSA-N	-1	3	290.287	-0.078	20	5		CBBDHM
CNC(=O)C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000768794414	582334632	/nfs/dbraw/zinc/33/46/32/582334632.db2.gz	OQMAZHKOUVOUEW-UHFFFAOYSA-N	-1	3	279.299	-0.319	20	5		CBBDHM
NC(=O)CO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000777823264	582357861	/nfs/dbraw/zinc/35/78/61/582357861.db2.gz	HJAVQXHASHMZIF-UHFFFAOYSA-N	-1	3	253.214	-0.330	20	5		CBBDHM
Cc1nc([N+](=O)[O-])cn1CC(=O)[N-]c1nnnn1C	ZINC000779466150	582361255	/nfs/dbraw/zinc/36/12/55/582361255.db2.gz	CLHPULJEMPXVMA-UHFFFAOYSA-N	-1	3	266.221	-0.738	20	5		CBBDHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]2O)nc1	ZINC000845948837	583344297	/nfs/dbraw/zinc/34/42/97/583344297.db2.gz	IDEGWXZHFNYUNR-HTQZYQBOSA-N	-1	3	273.270	-0.209	20	5		CBBDHM
CC(C)(COC(=O)[C@@H]1CCS(=O)(=O)[N-]1)[N+](=O)[O-]	ZINC000851129600	583511647	/nfs/dbraw/zinc/51/16/47/583511647.db2.gz	KVKCUEPBRQXBED-LURJTMIESA-N	-1	3	266.275	-0.723	20	5		CBBDHM
CN1CCN(C(=O)CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1	ZINC000853264563	583580961	/nfs/dbraw/zinc/58/09/61/583580961.db2.gz	IETBCYPIYAMLBD-UHFFFAOYSA-N	-1	3	295.299	-0.119	20	5		CBBDHM
O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cnon1	ZINC001093798274	810683164	/nfs/dbraw/zinc/68/31/64/810683164.db2.gz	KFASRXZKJCLAHP-UHFFFAOYSA-N	-1	3	294.227	-0.080	20	5		CBBDHM
NC(=O)C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001094742228	810729596	/nfs/dbraw/zinc/72/95/96/810729596.db2.gz	PUVYCKNGXFFWEI-UHFFFAOYSA-N	-1	3	283.244	-0.901	20	5		CBBDHM
NC(=O)C(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC001107480453	811339163	/nfs/dbraw/zinc/33/91/63/811339163.db2.gz	JYJLRDRQJLVHQQ-OWOJBTEDSA-N	-1	3	295.255	-0.735	20	5		CBBDHM
Cc1c[n+]([O-])c(-n2[n-]c(=O)nc2CN)cc1[N+](=O)[O-]	ZINC001168755388	820174087	/nfs/dbraw/zinc/17/40/87/820174087.db2.gz	APICJELVZJOLIR-UHFFFAOYSA-N	-1	3	266.217	-0.718	20	5		CBBDHM
COc1nc(C)nc(-n2[n-]c(=O)nc2CN)c1[N+](=O)[O-]	ZINC001168756275	820176984	/nfs/dbraw/zinc/17/69/84/820176984.db2.gz	OEEJECRFZJDNOH-UHFFFAOYSA-N	-1	3	281.232	-0.553	20	5		CBBDHM
COC(=O)c1ncc([N+](=O)[O-])cc1-n1[n-]c(=O)nc1CN	ZINC001168762331	820180810	/nfs/dbraw/zinc/18/08/10/820180810.db2.gz	GNFVUCLXTOWJBD-UHFFFAOYSA-N	-1	3	294.227	-0.479	20	5		CBBDHM
NC(=O)[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1	ZINC001261648061	826556830	/nfs/dbraw/zinc/55/68/30/826556830.db2.gz	QRKDTPPLGPNZOP-ZETCQYMHSA-N	-1	3	268.229	-0.614	20	5		CBBDHM
Cn1cc([N+](=O)[O-])c(C(=O)NCCCc2cc(=O)[nH][n-]2)n1	ZINC001347786651	890514097	/nfs/dbraw/zinc/51/40/97/890514097.db2.gz	ZHFBWZPIOXVMRN-UHFFFAOYSA-N	-1	3	294.271	-0.286	20	5		CBBDHM
O=C(Cn1ccc([N+](=O)[O-])n1)NCCCc1c[n-][nH]c1=O	ZINC001557702120	924131233	/nfs/dbraw/zinc/13/12/33/924131233.db2.gz	STAMLEWTQZTHPX-QMMMGPOBSA-N	-1	3	294.271	-0.581	20	5		CBBDHM
Cc1c(CC(=O)[N-]OCC(N)=O)cccc1[N+](=O)[O-]	ZINC000089464614	351731091	/nfs/dbraw/zinc/73/10/91/351731091.db2.gz	OVVCNEFMDVSZNZ-UHFFFAOYSA-N	-1	3	267.241	-0.021	20	5		CBBDHM
COc1cc(C(=O)[N-]OCC(N)=O)c([N+](=O)[O-])cc1OC	ZINC000157959059	188348655	/nfs/dbraw/zinc/34/86/55/188348655.db2.gz	KNAYNCDMZZQRBH-UHFFFAOYSA-N	-1	3	299.239	-0.241	20	5		CBBDHM
CO[C@@H]1C[C@@H](C(=O)[O-])N(CCn2ccc([N+](=O)[O-])n2)C1	ZINC000568067125	354809673	/nfs/dbraw/zinc/80/96/73/354809673.db2.gz	MXEDICLMCNDOBQ-BDAKNGLRSA-N	-1	3	284.272	-0.035	20	5		CBBDHM
CN(C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000588866123	355061920	/nfs/dbraw/zinc/06/19/20/355061920.db2.gz	AHXYJRDJERFGMX-SECBINFHSA-N	-1	3	283.284	-0.047	20	5		CBBDHM
O=C(Cn1cc([N+](=O)[O-])cn1)NCCCc1cc(=O)[nH][n-]1	ZINC000588876135	355062114	/nfs/dbraw/zinc/06/21/14/355062114.db2.gz	VXCSAPYRVGXPKH-UHFFFAOYSA-N	-1	3	294.271	-0.436	20	5		CBBDHM
C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593555469	355209513	/nfs/dbraw/zinc/20/95/13/355209513.db2.gz	HUOORRJCXCTWJQ-LURJTMIESA-N	-1	3	261.259	-0.351	20	5		CBBDHM
O=C1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CN1	ZINC000593575234	355210375	/nfs/dbraw/zinc/21/03/75/355210375.db2.gz	FELVKHYEQDTTSI-ZCFIWIBFSA-N	-1	3	286.269	-0.843	20	5		CBBDHM
COC[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593589979	355210788	/nfs/dbraw/zinc/21/07/88/355210788.db2.gz	WIABHZJCALHKCW-SSDOTTSWSA-N	-1	3	291.285	-0.725	20	5		CBBDHM
Cc1noc(CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1[N+](=O)[O-]	ZINC000595404208	355285097	/nfs/dbraw/zinc/28/50/97/355285097.db2.gz	OOGJFIPXHHXCIH-ZETCQYMHSA-N	-1	3	295.255	-0.373	20	5		CBBDHM
COCCN1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1=O	ZINC000596225391	355349738	/nfs/dbraw/zinc/34/97/38/355349738.db2.gz	CRWBSXQPYQYXFT-UHFFFAOYSA-N	-1	3	282.256	-0.052	20	5		CBBDHM
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COC(=O)c1nc[n-]c1NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000550084896	374230691	/nfs/dbraw/zinc/23/06/91/374230691.db2.gz	CKZMKUDDXRSMBD-UHFFFAOYSA-N	-1	3	294.227	-0.060	20	5		CBBDHM
COC(=O)c1[n-]cnc1NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000550084896	374230697	/nfs/dbraw/zinc/23/06/97/374230697.db2.gz	CKZMKUDDXRSMBD-UHFFFAOYSA-N	-1	3	294.227	-0.060	20	5		CBBDHM
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Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000427135134	208055815	/nfs/dbraw/zinc/05/58/15/208055815.db2.gz	AJGRHYKTEQHYDR-UHFFFAOYSA-N	-1	3	294.227	-0.060	20	5		CBBDHM
O=C1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CN1	ZINC000358884131	419928124	/nfs/dbraw/zinc/92/81/24/419928124.db2.gz	NIAFMRZEUCHIJU-ZETCQYMHSA-N	-1	3	285.281	-0.238	20	5		CBBDHM
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C[C@@H](CC(N)=O)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1	ZINC000820232128	582559926	/nfs/dbraw/zinc/55/99/26/582559926.db2.gz	DRGTZXNETOTEHE-YFKPBYRVSA-N	-1	3	292.259	-0.154	20	5		CBBDHM
C[C@@H](CC(N)=O)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1	ZINC000820232128	582559928	/nfs/dbraw/zinc/55/99/28/582559928.db2.gz	DRGTZXNETOTEHE-YFKPBYRVSA-N	-1	3	292.259	-0.154	20	5		CBBDHM
CC(CO)(CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1	ZINC000820281206	582562052	/nfs/dbraw/zinc/56/20/52/582562052.db2.gz	TYSVRNOXHOYCPN-UHFFFAOYSA-N	-1	3	294.271	-0.070	20	5		CBBDHM
CC(CO)(CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1	ZINC000820281206	582562053	/nfs/dbraw/zinc/56/20/53/582562053.db2.gz	TYSVRNOXHOYCPN-UHFFFAOYSA-N	-1	3	294.271	-0.070	20	5		CBBDHM
C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1O	ZINC000824999988	582718503	/nfs/dbraw/zinc/71/85/03/582718503.db2.gz	LYXYBFKZBCJCDO-RCOVLWMOSA-N	-1	3	291.271	-0.013	20	5		CBBDHM
C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1O	ZINC000824999988	582718505	/nfs/dbraw/zinc/71/85/05/582718505.db2.gz	LYXYBFKZBCJCDO-RCOVLWMOSA-N	-1	3	291.271	-0.013	20	5		CBBDHM
C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1O	ZINC000824999985	582718676	/nfs/dbraw/zinc/71/86/76/582718676.db2.gz	LYXYBFKZBCJCDO-HZGVNTEJSA-N	-1	3	291.271	-0.013	20	5		CBBDHM
C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1O	ZINC000824999985	582718680	/nfs/dbraw/zinc/71/86/80/582718680.db2.gz	LYXYBFKZBCJCDO-HZGVNTEJSA-N	-1	3	291.271	-0.013	20	5		CBBDHM
CN(C)C1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000825856072	582748788	/nfs/dbraw/zinc/74/87/88/582748788.db2.gz	MXIDTJRUNOIIMS-UHFFFAOYSA-N	-1	3	290.287	-0.080	20	5		CBBDHM
CN(C)C1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000825856072	582748789	/nfs/dbraw/zinc/74/87/89/582748789.db2.gz	MXIDTJRUNOIIMS-UHFFFAOYSA-N	-1	3	290.287	-0.080	20	5		CBBDHM
O=C([N-]OCCN1CCCC1=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000856043512	583654857	/nfs/dbraw/zinc/65/48/57/583654857.db2.gz	UVWMJVFEMMZUNU-UHFFFAOYSA-N	-1	3	283.244	-0.398	20	5		CBBDHM
O=[N+]([O-])c1ccc(N(CCO)CCO)c(-c2nnn[n-]2)c1	ZINC000738369539	599323054	/nfs/dbraw/zinc/32/30/54/599323054.db2.gz	HXQWZAPLZOSXJM-UHFFFAOYSA-N	-1	3	294.271	-0.434	20	5		CBBDHM
O=[N+]([O-])c1ccc(N(CCO)CCO)c(-c2nn[n-]n2)c1	ZINC000738369539	599323057	/nfs/dbraw/zinc/32/30/57/599323057.db2.gz	HXQWZAPLZOSXJM-UHFFFAOYSA-N	-1	3	294.271	-0.434	20	5		CBBDHM
Cc1cc(=O)[n-]c(N2CCN(CC[N+](=O)[O-])CC2)n1	ZINC000931748179	659519354	/nfs/dbraw/zinc/51/93/54/659519354.db2.gz	KFKXPCAIDDUJEA-UHFFFAOYSA-N	-1	3	267.289	-0.111	20	5		CBBDHM