smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(C)(C[N+](C)(C)C)[C@H]1O[C@@H]2CCCC[C@@H]2[C@@H]2C=CCC[C@H]21	12858423	YENWMUFPFCZVBN-VHPHOLNESA-N	306.514	4.259	5	1	DIBF	
O=C1C[C@H](c2ccccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1	587513908	VMLLBSCQDXWPGW-GOSISDBHSA-N	323.348	4.180	5	1	DIBF	
Cc1ccc(Nc2nc(-c3ccccc3[N+](=O)[O-])cs2)nc1	13141332	KEWGNNQPMSMNKB-UHFFFAOYSA-N	312.354	4.165	5	1	DIBF	
Cc1cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2cc1Cl	587270766	SVCRMSZVOGNVSS-UHFFFAOYSA-N	315.760	4.218	5	1	DIBF	
CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1coc2ccccc12	1772593555	RGWXVGJULXVWFY-SOFGYWHQSA-N	322.364	4.486	5	1	DIBF	
Cc1cc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3)nc2cc1[N+](=O)[O-]	587161732	BSXHEJDAVPYGFP-OLZOCXBDSA-N	311.316	4.190	5	1	DIBF	
O=[N+]([O-])c1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1F	586882739	ASROMYINZNBFEV-NOTQWWDFSA-N	315.348	4.078	5	1	DIBF	
Cc1cc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2cc1[N+](=O)[O-]	587111299	AAVMVZFROYQXJP-UHFFFAOYSA-N	321.258	4.465	5	1	DIBF	
Cc1ccc2oc(=S)n(Cc3ccc([N+](=O)[O-])cc3)c2c1	1772639592	PZMDRTMQNPORNY-UHFFFAOYSA-N	300.339	4.229	5	1	DIBF	
O=[N+]([O-])c1ccc(-c2cccnc2)c(OCCc2ccccc2)c1	299860298	JADGDGGIQZJLDU-UHFFFAOYSA-N	320.348	4.278	5	1	DIBF	
O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Cl)c(F)cc3[nH]2)c1	587160234	NHSVHLRLPGZRLC-UHFFFAOYSA-N	309.659	4.070	5	1	DIBF	
CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccc(C)cc12	206038326	YWIKLJGNYHUKEJ-UHFFFAOYSA-N	324.336	4.228	5	3	DIBF	
CC/C(=C\c1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccc(C)cc1	587965719	CZVOLMOVCLXRKN-XYOKQWHBSA-N	308.341	4.125	5	1	DIBF	
O=[N+]([O-])c1cc(F)cc(-c2nc3cc4ccccc4cc3[nH]2)c1	587160661	YSXYYNNWUSPSEI-UHFFFAOYSA-N	307.284	4.430	5	1	DIBF	
COc1cc2c3c(cc4ccccc4c3c1OC)N(C(C)C)C2=O	40877821	ZKKJWOWRAPREAG-UHFFFAOYSA-N	321.376	4.379	5	1	DIBF	
Cc1oc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1[N+](=O)[O-]	587269720	ZQFCMNAPLYLCGJ-UHFFFAOYSA-N	311.219	4.058	5	1	DIBF	
COCCc1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12	587645906	OEPRFAQYIUXDIL-UHFFFAOYSA-N	314.316	4.071	5	1	DIBF	
Cc1c(-c2ccc(Cl)c(N)c2)[nH]c2cc([N+](=O)[O-])ccc12	587644747	MIOBEUQZLYBAQB-UHFFFAOYSA-N	301.733	4.287	5	1	DIBF	
O=[N+]([O-])c1cccc2[nH]c(C(F)(F)F)c(-c3ccccn3)c12	587645034	HYIUEUGUYWWBFV-UHFFFAOYSA-N	307.231	4.157	5	1	DIBF	
O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1	587513748	UKIGXKVMRKXOLO-GOSISDBHSA-N	323.348	4.180	5	1	DIBF	
O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1ncccc12	66102500	IPNKGWIYEVSLIP-UHFFFAOYSA-N	315.332	4.225	5	1	DIBF	
O=[N+]([O-])c1cnc2[nH]c(/C=C/c3cccc4ccccc34)nc2c1	587970043	XZTYOORLWQHWJO-CMDGGOBGSA-N	316.320	4.190	5	1	DIBF	
Cc1c(-c2ccc3c(c2)cc(O)n3C)[nH]c2cc([N+](=O)[O-])ccc12	587647456	JFOZGAWQXWSPSO-UHFFFAOYSA-N	321.336	4.249	5	1	DIBF	
O=[N+]([O-])c1cccc2c(-c3ccc(Cl)cc3)cc(O)nc12	299863303	KVSXMSSCZVIOMX-UHFFFAOYSA-N	300.701	4.169	5	1	DIBF	
Cc1cc(Cl)cc2c(O)c(-c3cccc([N+](=O)[O-])c3)[nH]c12	587627254	QZEWGCWZGNEPAE-UHFFFAOYSA-N	302.717	4.411	5	1	DIBF	
CCC(CC)C(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1	84459761	AWRBQKNDUQHGIE-UHFFFAOYSA-N	324.380	4.024	5	3	DIBF	
CCCCC1CCC(c2nc3cncc([N+](=O)[O-])c3[nH]2)CC1	586884294	MKHYLUFXTLZQDQ-UHFFFAOYSA-N	302.378	4.330	5	1	DIBF	
Cc1ccnc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1	13141356	ZYPGXUFYPAHPKB-UHFFFAOYSA-N	312.354	4.165	5	1	DIBF	
CC(=O)OC(OC(C)=O)c1c2ccccc2cc2ccccc12	1642056	BSHMOJFTLGSXPF-UHFFFAOYSA-N	308.333	4.118	5	1	DIBF	
CCCCN=c1[nH]cnc2c1sc1nc3ccccc3cc12	1857550894	HNUWBMCYWQHNIN-UHFFFAOYSA-N	308.410	4.027	5	1	DIBF	
CCc1ccccc1NC(=O)c1c(C)[nH]c2cc([N+](=O)[O-])ccc12	587647125	QWSCLXHIOZBEKD-UHFFFAOYSA-N	323.352	4.199	5	1	DIBF	
O=C1NCc2c1c1c3ccccc3oc1c1[nH]c3ccccc3c21	14954822	NHUGCPJQFQQDDG-UHFFFAOYSA-N	312.328	4.464	5	1	DIBF	
O=[N+]([O-])c1cccc(CCc2nc3cc4ccccc4cc3[nH]2)c1	587270937	XLYNBASMFAOGHS-UHFFFAOYSA-N	317.348	4.410	5	1	DIBF	
O=C(Cc1cc(F)cc(F)c1)c1coc2cc([N+](=O)[O-])ccc12	587280308	RWLZJWAIJPSYFY-UHFFFAOYSA-N	317.247	4.045	5	1	DIBF	
O=[N+]([O-])c1ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1	587952042	XJIIBRWYCDGFQK-UHFFFAOYSA-N	309.325	4.069	5	1	DIBF	
CC[C@@H](Oc1ccccc1F)c1nc2ccc([N+](=O)[O-])cc2[nH]1	587156616	XQCVTTPKSJTEAT-CQSZACIVSA-N	315.304	4.140	5	1	DIBF	
O=C(c1sccc1Cl)c1coc2cc([N+](=O)[O-])ccc12	587280429	WTJIHPIFJLKAPF-UHFFFAOYSA-N	307.714	4.287	5	1	DIBF	
O=C(c1cccc(Cl)c1[N+](=O)[O-])c1coc2ccccc12	587280923	IQSDRYCEWAYSBZ-UHFFFAOYSA-N	301.685	4.225	5	1	DIBF	
CCOc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1[N+](=O)[O-]	587211091	LGJSVMCOFZPCOR-UHFFFAOYSA-N	320.348	4.307	5	1	DIBF	
C[C@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)N(C)C	587192113	RGWXNXCXGGCHKV-CYBMUJFWSA-N	303.409	4.362	5	1	DIBF	
Cc1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nc1	13141326	UYDYLYMWURVOCW-UHFFFAOYSA-N	312.354	4.165	5	1	DIBF	
O=c1cc(C2CCC(CO)CC2)oc2c1ccc1ccccc12	1857550618	WXHBDTKERVTACC-UHFFFAOYSA-N	308.377	4.212	5	1	DIBF	
Cc1cccc(Nc2nc(-c3ccccc3[N+](=O)[O-])cs2)n1	13141308	VHIRFLOMNGMXQC-UHFFFAOYSA-N	312.354	4.165	5	1	DIBF	
O=C(c1ccc2ccccc2n1)c1coc2cc([N+](=O)[O-])ccc12	587279861	DZEQGMUWGTWOPM-UHFFFAOYSA-N	318.288	4.120	5	1	DIBF	
C[C@@H]1CCC[N+]1(C)COC(=O)[C@H](c1ccccc1)C1CCCC1	27526593	KIAOCNYSSUIRRX-HDLPQAOFSA-N	316.465	4.090	5	1	DIBF	
CCC(C)(C)c1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1	586881519	NBPDITFBGNRXHC-UHFFFAOYSA-N	310.357	4.221	5	1	DIBF	
Cc1ccc2c(ccc3nc(-c4cc(F)cc([N+](=O)[O-])c4)[nH]c32)n1	587160230	NBXYKDBRNQKTRN-UHFFFAOYSA-N	322.299	4.134	5	1	DIBF	
Cc1c(-c2nc3cc(Cl)cc(C)c3[nH]2)cccc1[N+](=O)[O-]	587260870	JXMZFLLNEUYXJO-UHFFFAOYSA-N	301.733	4.408	5	1	DIBF	
O=[N+]([O-])c1ccc(-c2cc(-c3ccc4[nH]ccc4c3)on2)cc1	95561587	BKQPOWVQRQJLFQ-UHFFFAOYSA-N	305.293	4.398	5	1	DIBF	
COc1c2c(cc3oc4ccccc4c(=O)c13)C=CC(C)(C)O2	96932847	NRKPZEHCYCBLQJ-UHFFFAOYSA-N	308.333	4.139	5	1	DIBF	
COc1cc2c(cc1OC)C1=CC[C@@H](c3ccccc3)[N+]1(C)CC2	1650390	LLOUHYSVZWUGFZ-HXBUSHRASA-N	322.428	4.192	5	1	DIBF	
FC(F)C(F)(F)c1nc2c3cccnc3c3ncccc3c2[nH]1	587089296	PGMIUVAHCSYYJC-UHFFFAOYSA-N	320.249	4.016	5	1	DIBF	
O=[N+]([O-])c1cc2nc(/C=C/c3ccc(F)cc3F)[nH]c2cc1F	587150961	WGXTWQCMADOWEP-DUXPYHPUSA-N	319.242	4.059	5	1	DIBF	
Cc1c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cccc1[N+](=O)[O-]	587260777	DYBAFLQIYQRSQK-UHFFFAOYSA-N	323.139	4.148	5	1	DIBF	
Cc1ccc(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)cc1C	587647154	SCUVJYXIBYCRTI-UHFFFAOYSA-N	323.352	4.254	5	1	DIBF	
O=C1Cc2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)N1	13606272	SPSDZQHJTZLLAO-UHFFFAOYSA-N	311.344	4.450	5	1	DIBF	
O=[N+]([O-])c1ccc(-c2ccncc2)c(OCc2ccccc2)c1	299863208	OVXKQKSKDOQCOM-UHFFFAOYSA-N	306.321	4.236	5	1	DIBF	
O=C(c1c(-c2cccs2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)F	587646623	YFRWJINQNFUEMQ-UHFFFAOYSA-N	322.292	4.252	5	1	DIBF	
O=[N+]([O-])c1cccc(C2=NN[C@@H](c3ccc4ccccc4c3)C2)c1	96932538	TXJPFMBVJALRIY-LJQANCHMSA-N	317.348	4.187	5	1	DIBF	
COc1cc2c(cc1OC)C1=CC[C@H](c3ccccc3)[N@@+]1(C)CC2	299816676	LLOUHYSVZWUGFZ-XMSQKQJNSA-N	322.428	4.192	5	1	DIBF	
O=[N+]([O-])c1ccc2c(-c3ccccn3)c(C(F)(F)F)[nH]c2c1	587645620	ZYWUWSMDIAVPQQ-UHFFFAOYSA-N	307.231	4.157	5	1	DIBF	
C[N+]12CCCC[C@@H]1[C@@H](COc1cccc3cccnc13)CCC2	31872287	SDWYKDOJNBOHCC-XWATYHNTSA-N	311.449	4.023	5	1	DIBF	
Cc1cc2[nH]c(-c3cccc4c3OCC4(C)C)nc2cc1[N+](=O)[O-]	586912504	UYDKEMBZYXPXTB-UHFFFAOYSA-N	323.352	4.117	5	1	DIBF	
NCCCNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12	169309464	SUCJGUPMCXARGR-UHFFFAOYSA-N	324.815	4.283	5	1	DIBF	
CC(C)(C)OC(=O)Nc1c(C2CC2)[nH]c2cccc([N+](=O)[O-])c12	587646528	DZQHMUUCELXMAY-UHFFFAOYSA-N	317.345	4.301	5	1	DIBF	
O=C1C[C@H](O)C[C@@H](/C=C/c2cccc3ccc4ccccc4c23)O1	27107050	BRQUCHLWPZMOAV-NDZBKKTDSA-N	318.372	4.073	5	1	DIBF	
C1=C[C@@H]2C[C@H]1C[C@H]2c1nc2cc3nc4ccccc4nc3cc2[nH]1	587968227	WSDTYGJDCPNMND-YNEHKIRRSA-N	312.376	4.339	5	1	DIBF	
Cc1c(-c2cc(F)c(F)cc2F)[nH]c2cc([N+](=O)[O-])ccc12	587645934	FLXAVWXMAWLOGS-UHFFFAOYSA-N	306.243	4.469	5	1	DIBF	
CC[C@]1(C)C[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586887391	GNSZDXSUQUMZCN-WPPNPWJKSA-N	324.178	4.137	5	1	DIBF	
CC(C)CC(=O)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12	587645300	OWZRWZMXCAZCBA-UHFFFAOYSA-N	314.263	4.324	5	1	DIBF	
COc1ccc(/C=C\c2cc(F)c(F)c(F)c2)c([N+](=O)[O-])c1	40972746	ARBGJUWPWCCEQP-IHWYPQMZSA-N	309.243	4.191	5	1	DIBF	
Cc1ccnc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c12	587264183	CVVXHCFXJKQXTQ-UHFFFAOYSA-N	320.308	4.102	5	1	DIBF	
O=[N+]([O-])c1cc(/C=C/c2nc3ccc(O)cc3[nH]2)ccc1Cl	587047523	JXWPAPIIDFPPTB-QHHAFSJGSA-N	315.716	4.001	5	1	DIBF	
O=C(c1cc(F)cc(Cl)c1)c1coc2cc([N+](=O)[O-])ccc12	587280151	LKMFJEKKZSRFIW-UHFFFAOYSA-N	319.675	4.365	5	1	DIBF	
C[n+]1c2ccc(Br)cc2cc2[nH]c3ccccc3c21	26950880	AZWJEYMOQAJBBN-UHFFFAOYSA-O	312.190	4.061	5	1	DIBF	
Cc1ccc(Sc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1	72103039	AYTFWRLTLWWBCW-UHFFFAOYSA-N	313.334	4.161	5	1	DIBF	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc([N+](=O)[O-])c1	103172647	XDLKKWOKJHGQJI-UHOFOFEASA-N	305.374	4.212	5	1	DIBF	
O=C(O)c1cc2c(-c3cccc(Cl)c3)ccc([N+](=O)[O-])c2[nH]1	103242915	ZELJDHMGDKHLKU-UHFFFAOYSA-N	316.700	4.095	5	1	DIBF	
O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@@H]1C[C@H]1c1ccccc1	587279406	JFOIJKIKMLTPTD-LSDHHAIUSA-N	307.305	4.327	5	1	DIBF	
Cc1c(-c2c(F)ccc(F)c2F)[nH]c2cccc([N+](=O)[O-])c12	587645451	BHQKPFNKLHTHCA-UHFFFAOYSA-N	306.243	4.469	5	1	DIBF	
CC[C@@H](CO)NCc1ccc2ccc3cccc4ccc1c2c34	26470742	SUFDJIDNKDWQRO-SFHVURJKSA-N	303.405	4.445	5	1	DIBF	
Nc1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-]	587923133	PYHLEJNZUYLKEN-UHFFFAOYSA-N	315.329	4.107	5	1	DIBF	
O=C(O)Cc1ccccc1-c1ccc(-c2cccc([N+](=O)[O-])c2)o1	230838358	TZJRKMIARISSGE-UHFFFAOYSA-N	323.304	4.149	5	1	DIBF	in-vitro
Cc1c(-c2nc3ccc(OC(C)C)cc3[nH]2)cccc1[N+](=O)[O-]	587260780	FDKBKDUZALQSAT-UHFFFAOYSA-N	311.341	4.234	5	1	DIBF	
O=C(c1ccc(Cl)s1)c1coc2cc([N+](=O)[O-])ccc12	587280397	VYGCYKXBONLVBT-UHFFFAOYSA-N	307.714	4.287	5	1	DIBF	
O=C(O)c1cc2c(-c3ccc(Cl)cc3)ccc([N+](=O)[O-])c2[nH]1	103242917	IQTXYFPRFGUYOS-UHFFFAOYSA-N	316.700	4.095	5	1	DIBF	
O=[N+]([O-])c1cccc(-c2cc(NCC3CCCCC3)ncn2)c1	82160325	PZOOMNWBBSIJGS-UHFFFAOYSA-N	312.373	4.044	5	1	DIBF	
Cc1[nH]c2cc(F)ccc2c1-c1c([N+](=O)[O-])ccc(F)c1F	587634848	UKBSQHXCIUWRRC-UHFFFAOYSA-N	306.243	4.469	5	1	DIBF	
O=[N+]([O-])c1ccc([C@H]2CC(c3cccc4ccccc34)=NN2)cc1	103215843	LZBDVYRTWJVQAG-GOSISDBHSA-N	317.348	4.187	5	1	DIBF	
FC(F)C(F)(F)c1nc2cc3nc4ccccc4nc3cc2[nH]1	587088945	GHKDDOJYZHCLIN-UHFFFAOYSA-N	320.249	4.016	5	1	DIBF	
Cc1c(-c2nc3ccc(C(C)(C)C)nc3[nH]2)cccc1[N+](=O)[O-]	587261003	OYXRJMHROIHMKL-UHFFFAOYSA-N	310.357	4.139	5	1	DIBF	
C[C@]1(C(=O)c2coc3cc([N+](=O)[O-])ccc23)CC1(Cl)Cl	587280126	KJPZIENXDKQMJW-GFCCVEGCSA-N	314.124	4.108	5	1	DIBF	
CN1O[C@H](CO)C[C@@H]1c1ccc2ccc3cccc4ccc1c2c34	28566920	IAMQUNXMKDLHBY-QFBILLFUSA-N	317.388	4.253	5	1	DIBF	
Cc1cc(C)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(C)c1	587278900	ARGGMDIEPNIAPQ-UHFFFAOYSA-N	309.321	4.497	5	1	DIBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cccc(Cl)c1	587644812	OXTPZWIXVWVLCL-UHFFFAOYSA-N	314.728	4.269	5	1	DIBF	
O=[N+]([O-])c1ccccc1O[C@@H](CCn1ccnc1)c1ccccc1	45347556	QCRCOPVUFQZTPY-KRWDZBQOSA-N	323.352	4.002	5	1	DIBF	
O=[N+]([O-])c1cc2nc(-c3ccc(O)cc3Cl)[nH]c2cc1Cl	587055804	XQXKOZQZZTUACZ-UHFFFAOYSA-N	324.123	4.151	5	1	DIBF	
O=C(c1ccc(F)cc1Cl)c1coc2cc([N+](=O)[O-])ccc12	587279850	DMBJCUQVXXQQBM-UHFFFAOYSA-N	319.675	4.365	5	1	DIBF	
COc1ccc(-c2c(C)[nH]c3cccc(F)c23)c([N+](=O)[O-])c1	587635379	GPXHYRPYYZXELB-UHFFFAOYSA-N	300.289	4.199	5	1	DIBF	
COc1c(F)cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C)cc1F	587646066	INZHCCKTOGHGHR-UHFFFAOYSA-N	318.279	4.338	5	1	DIBF	
N#CCc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1	174987	DXBYMNAELHZSJX-UHFFFAOYSA-N	318.357	4.136	5	1	DIBF	
Nc1c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)ccc2ccccc12	587253196	DDRDKDZJXRMJAU-UHFFFAOYSA-N	322.299	4.013	5	1	DIBF	
CN1O[C@@H](CN)C[C@@H]1c1ccc2ccc3cccc4ccc1c2c34	66097683	KVEOJWRPBOOPOH-VQIMIIECSA-N	316.404	4.220	5	1	DIBF	
C[C@]12CC[C@@H]3c4ccc([N+](C)(C)[O-])cc4CC[C@H]3[C@@H]1CCC2=O	1772599079	KFKRANRRJNIALL-XSYGEPLQSA-N	313.441	4.177	5	1	DIBF	
O=c1c2ccccc2[nH]c2cc(OCc3ccccc3)ccc12	84712659	LQRVYGWBPZBLIC-UHFFFAOYSA-N	301.345	4.260	5	1	DIBF	
Cc1c(-c2ccc(Cl)cc2O)[nH]c2cccc([N+](=O)[O-])c12	587644810	ORHLYJTYWQHKFJ-UHFFFAOYSA-N	302.717	4.411	5	1	DIBF	
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1F)CCCC21CCCCC1	103192210	ISBJRCNYVVUXSE-UHFFFAOYSA-N	308.309	4.180	5	1	DIBF	
Cc1ccc(-c2ccc(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)cc2)o1	586905638	XFUFSRXNFCAHMG-UHFFFAOYSA-N	320.308	4.102	5	1	DIBF	
CCC[N@+]1(C)CC[C@@H]2[C@@H](C1)c1ccccc1N2Cc1ccccc1	253853387	AMAJGIBXVZDQBW-BGWNEDDSSA-N	321.488	4.419	5	1	DIBF	
Cc1cc(Cl)cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c12	587160088	GCQNAKPQOCLJPR-UHFFFAOYSA-N	305.696	4.239	5	1	DIBF	
O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1cnccc12	66101646	HGKNVEOOKHRGOC-UHFFFAOYSA-N	315.332	4.225	5	1	DIBF	
COc1c2c(cc3c(=O)c4ccccc4oc13)C=CC(C)(C)O2	96932840	DGWZGTZFARNTOX-UHFFFAOYSA-N	308.333	4.139	5	1	DIBF	
O=C1Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc2C12CCCCC2	13860663	IEJRGCKSKIRXCW-UHFFFAOYSA-N	322.364	4.416	5	1	DIBF	
O=C(c1ccccc1Cl)c1coc2cc([N+](=O)[O-])ccc12	587280172	MKIRYJTYDWBSIO-UHFFFAOYSA-N	301.685	4.225	5	1	DIBF	
C[N+](C)(C)C[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1	29404390	NCPVINAZNPBCKE-RTBURBONSA-N	320.522	4.258	5	1	DIBF	
Cc1c(-c2nc3cccc(C(F)(F)F)c3[nH]2)cccc1[N+](=O)[O-]	587261169	XEMHMUFVNWPTEA-UHFFFAOYSA-N	321.258	4.465	5	1	DIBF	
COc1cc2c(cc1Oc1ccccc1)[C@@H]1CCC[N@@+]1(C)CC2	1772572074	KQCFFJJPKZZWLE-RXVVDRJESA-N	310.417	4.325	5	1	DIBF	
CC[C@H](C)c1ccc2[nH]c(C)c(-n3nc([N+](=O)[O-])cc3C)c2c1	587642236	JWSJLBGXTCXMCB-JTQLQIEISA-N	312.373	4.392	5	1	DIBF	
Cc1ccc(Sc2cc(O)nc3c([N+](=O)[O-])cccc23)cc1	299854507	AAENZZNVECNZMK-UHFFFAOYSA-N	312.350	4.308	5	1	DIBF	
Cc1cc2[nH]c(-c3ccc4c(c3O)CCCC4)nc2cc1[N+](=O)[O-]	586897795	JWUHXMWFKFUOLN-UHFFFAOYSA-N	323.352	4.031	5	1	DIBF	
Cc1c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cccc1[N+](=O)[O-]	587261177	XLELSUWMBMWNOV-UHFFFAOYSA-N	323.139	4.148	5	1	DIBF	
O=[N+]([O-])c1cncc2nc(/C=C\c3cccc4ccccc34)[nH]c12	587967294	GMHCZWGMMGZZGV-HJWRWDBZSA-N	316.320	4.190	5	1	DIBF	
O=c1c2cc3ccccc3cc2oc2c3c(cc(O)c12)OCCC3	40918652	HHOIOZLDWJUHHS-UHFFFAOYSA-N	318.328	4.130	5	1	DIBF	
Cn1c2cc(=N)ccc-2c2cccc3c2c1c1ccccc1n3C	377819867	WCJTXRKEJPSHKQ-UHFFFAOYSA-N	311.388	4.407	5	1	DIBF	
Cc1ccc(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)cc1C	587646893	MPOUNSNVUKPNJF-UHFFFAOYSA-N	323.352	4.254	5	1	DIBF	
O=C(O)c1ccc2c(c1)nc(-c1cccc(F)c1)c1ccncc12	43206127	SFLCCIUFSBSYLX-UHFFFAOYSA-N	318.307	4.287	5	1	DIBF	
COCCc1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12	587646289	ZHTJWHOZVJVQEA-UHFFFAOYSA-N	314.316	4.071	5	1	DIBF	
COc1cccc2c1O[C@H](c1ccc(Cl)cc1)C([N+](=O)[O-])=C2	2001757	QPWTVCSDBXVHHT-OAHLLOKOSA-N	317.728	4.100	5	1	DIBF	
Cc1c(-c2nc3cc(Cl)c(F)cc3[nH]2)cccc1[N+](=O)[O-]	587260837	IFRYYDXMDSRHAY-UHFFFAOYSA-N	305.696	4.239	5	1	DIBF	
Cc1[nH]c2cc(F)ccc2c1-c1c([N+](=O)[O-])ccc(O)c1F	587634140	AYVBQHURCBIXAC-UHFFFAOYSA-N	304.252	4.035	5	1	DIBF	
C[C@@H]1CCC[N@+]1(C)COC(=O)[C@@H](c1ccccc1)C1CCCC1	253637830	KIAOCNYSSUIRRX-LKUPVBHCSA-N	316.465	4.090	5	1	DIBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1Oc1ccc(F)c(F)c1	587645495	BQNKFABQWPFZLI-UHFFFAOYSA-N	304.252	4.455	5	1	DIBF	
CSc1c(O)c2nccc3c4ccccc4[nH]c(c1CC=N)c23	169721192	QZURCMZUPZIOHH-UHFFFAOYSA-N	321.405	4.489	5	1	DIBF	
O=[N+]([O-])c1cccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c12	587153293	YBWGWLNSIQFTFP-UWVGGRQHSA-N	315.279	4.020	5	1	DIBF	
O=C(c1ccccc1)c1c(C(F)F)[nH]c2cc([N+](=O)[O-])ccc12	587646584	WBYSLMVPLLDESE-UHFFFAOYSA-N	316.263	4.245	5	1	DIBF	
NCCCCNCc1ccc2ccc3cccc4ccc1c2c34	26476859	BIHJQQGRLQISQN-UHFFFAOYSA-N	302.421	4.413	5	1	DIBF	
Cc1ccc(-c2ccc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)cc2)o1	586905697	ZBWWVLFDOSAXLT-UHFFFAOYSA-N	320.308	4.102	5	1	DIBF	
C[C@H](O)c1ccc(Nc2cc(F)cc(Cl)c2)c([N+](=O)[O-])c1	1857749373	KEGPGVWLDOKQLF-QMMMGPOBSA-N	310.712	4.184	5	1	DIBF	
O=[N+]([O-])c1cccc2[nH]cc(CCc3c[nH]c4ccccc34)c12	299827023	OOMMEMFNWAJEIW-UHFFFAOYSA-N	305.337	4.343	5	1	DIBF	
CC(C)(C)Nc1c([N+](=O)[O-])ccc2c1NC1(CCCCC1)[N+]2=O	139469415	ZUPMRHGAAABLNE-UHFFFAOYSA-N	319.385	4.302	5	1	DIBF	
Cc1cc2[nH]c(-c3cc(F)c(C)c(F)c3)nc2cc1[N+](=O)[O-]	587133406	VMZKSOGOCCQPSZ-UHFFFAOYSA-N	303.268	4.033	5	1	DIBF	
[O-][n+]1c(-c2ccccc2)c2nc3ccccc3nc2c2ccccc21	1628830	DIIGJFPJBOJUOU-UHFFFAOYSA-N	323.355	4.237	5	1	DIBF	
O=[N+]([O-])c1cc2nc(CCc3ccccc3Cl)[nH]c2cc1F	587058426	GFZNQKZZSRWVAL-UHFFFAOYSA-N	319.723	4.049	5	1	DIBF	
Cc1cc2[nH]c(-c3coc4cc(F)ccc34)nc2cc1[N+](=O)[O-]	587173910	CSQJPQPGMYNNRM-UHFFFAOYSA-N	311.272	4.332	5	1	DIBF	
CN(C/C=C/c1ccc([N+](=O)[O-])cc1)Cc1cccc2ccoc12	653887584	RUFSDYZZRPKEPE-ONEGZZNKSA-N	322.364	4.486	5	1	DIBF	
O=[N+]([O-])c1cccc2nc(-c3csc4ccc(O)cc34)[nH]c12	587031591	IZKREBDQYGPLNK-UHFFFAOYSA-N	311.322	4.058	5	1	DIBF	
O=[N+]([O-])c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1	587150894	GAOBZRZUHMEKEG-WDEREUQCSA-N	315.279	4.020	5	1	DIBF	
CC(C)Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)(F)F	587645035	HYPVGAIALYJCPD-UHFFFAOYSA-N	314.263	4.020	5	1	DIBF	
Cc1ccc(-c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c([N+](=O)[O-])c1	587647290	FNWJZERECVPCQO-UHFFFAOYSA-N	311.297	4.268	5	1	DIBF	
O=[N+]([O-])Cc1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12	587630805	DCNCIIRKRKDESK-UHFFFAOYSA-N	304.708	4.404	5	1	DIBF	
CCOc1ccnc2c(OC)c(C)c3nc4ccccc4nc3c12	5502241	JBUYZPDZOKNNRL-UHFFFAOYSA-N	319.364	4.047	5	1	DIBF	
Cn1ccnc1-c1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12	587647738	NQBBGEHTGKASBR-UHFFFAOYSA-N	318.336	4.144	5	1	DIBF	
CC[N+](CC)(CC)COC(=O)[C@@H](c1ccccc1)C1CCCC1	27527245	BDWJRSUOHNUSAD-IBGZPJMESA-N	318.481	4.338	5	1	DIBF	
Cc1cc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2cc1[N+](=O)[O-]	586890637	RKMWJEPIQREBER-LIRRHRJNSA-N	319.364	4.151	5	1	DIBF	
CC(=O)Nc1ccnc2c(Cl)c(Cl)c3ncccc3c12	28713569	WXQNLKSSERSSSI-UHFFFAOYSA-N	306.152	4.048	5	1	DIBF	
Cc1c2ccn(C[S@](C)=O)cc2c(C)c2c1nc1ccccc12	377819866	SQRVRHCEKFOVLU-QHCPKHFHSA-N	322.433	4.296	5	1	DIBF	
O=C1C[C@@H](c2ccccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1	587513909	VMLLBSCQDXWPGW-SFHVURJKSA-N	323.348	4.180	5	1	DIBF	
COc1cc2c(cc1Oc1ccccc1)[C@H]1CCC[N@@+]1(C)CC2	1772572073	KQCFFJJPKZZWLE-NQIIRXRSSA-N	310.417	4.325	5	1	DIBF	
C[C@H]1CCC[N+]1(C)COC(=O)[C@@H](c1ccccc1)C1CCCC1	40498397	KIAOCNYSSUIRRX-ZRAKIVDLSA-N	316.465	4.090	5	1	DIBF	
O=[N+]([O-])c1cccc(CCc2nc3cc(Cl)cc(F)c3[nH]2)c1	587269327	BEJNPZTVBOUCHN-UHFFFAOYSA-N	319.723	4.049	5	1	DIBF	
O=C(c1cccc(F)c1Cl)c1coc2cc([N+](=O)[O-])ccc12	587279816	BNVKMXXOZIWNMQ-UHFFFAOYSA-N	319.675	4.365	5	1	DIBF	
CC/C(=C/c1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccc(C)cc1	587965717	CZVOLMOVCLXRKN-WQLSENKSSA-N	308.341	4.125	5	1	DIBF	
O=c1[nH]ccc2nc(Nc3cccc(F)c3)c3ccc(F)cc3c12	64560252	VCIYSSWETBFVSU-UHFFFAOYSA-N	323.302	4.098	5	1	DIBF	
C[C@H]1CCC[N+]1(C)COC(=O)[C@H](c1ccccc1)C1CCCC1	27526594	KIAOCNYSSUIRRX-FZWXSHBKSA-N	316.465	4.090	5	1	DIBF	
O=c1oc2c(ccc3ccccc32)c(O)c1Cc1ccccc1	62242500	LYBYMIBWDFMUQV-UHFFFAOYSA-N	302.329	4.243	5	1	DIBF	
C[C@H](COC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1	40423348	PWDZLVYKVMISIZ-GFCCVEGCSA-N	316.382	4.112	5	1	DIBF	
CN(C(=N)Nc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1	13733831	QGLLFQOAATWHPF-UHFFFAOYSA-N	320.352	4.231	5	1	DIBF	
O=C(c1ccc([N+](=O)[O-])c(F)c1)c1coc2ccc(Cl)cc12	587279187	XYUQJSDJGMOQEL-UHFFFAOYSA-N	319.675	4.365	5	1	DIBF	
O=[N+]([O-])c1ccc(C[C]2C=CN(Cc3ccccc3F)C=C2)cc1	2356875729	DLKOGLDRTLBYFE-UHFFFAOYSA-N	323.347	4.394	5	1	DIBF	
Cc1ccc(-c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c([N+](=O)[O-])c1	587647040	DIUXJNAKBPWZFT-UHFFFAOYSA-N	311.297	4.268	5	1	DIBF	
Cn1c(=O)c2sc3ccccc3c2c2cc([N+](C)(C)C)ccc21	103231119	YNABHCHDISGPEE-UHFFFAOYSA-N	323.441	4.103	5	1	DIBF	
O=[N+]([O-])c1ccc2c(CCc3c[nH]c4ccccc34)c[nH]c2c1	299829899	VSWDTAUHSHNDKE-UHFFFAOYSA-N	305.337	4.343	5	1	DIBF	
O=C1C[C@H](c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1	587514544	ZLHXRPOZFHQXQU-GOSISDBHSA-N	323.348	4.180	5	1	DIBF	
O=[N+]([O-])c1cccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c12	587153294	YBWGWLNSIQFTFP-VHSXEESVSA-N	315.279	4.020	5	1	DIBF	
Cc1ccc(OCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1	587565414	HKJFFJFLUGMKLN-UHFFFAOYSA-N	317.732	4.012	5	1	DIBF	
COc1cc2c(c3oc4ccccc4c(=O)c13)OC(C)(C)C=C2	96932848	GEHOOMUECVMABY-UHFFFAOYSA-N	308.333	4.139	5	1	DIBF	
O=[N+]([O-])c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1	587087073	HITFOFXYNHZYCJ-UHFFFAOYSA-N	312.716	4.273	5	1	DIBF	
O=C(Cc1c(F)cccc1F)c1coc2cc([N+](=O)[O-])ccc12	587280138	KTUMLODQOYDJNG-UHFFFAOYSA-N	317.247	4.045	5	1	DIBF	
C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCCCC1	29043331	CAGFDMXWWOBBHR-UHFFFAOYSA-N	324.488	4.333	5	1	DIBF	
O=[N+]([O-])c1cc(/C=C/c2nc3cccc(F)c3[nH]2)ccc1Cl	587048825	YVLNGSVVQZZDSE-FNORWQNLSA-N	317.707	4.434	5	1	DIBF	
O=[N+]([O-])c1cc2nc(-c3cc(S)ccc3F)[nH]c2cc1Cl	587141304	OLVYGZFVUZGVBJ-UHFFFAOYSA-N	323.736	4.219	5	1	DIBF	
CC1(C)[C@@H]2CC[C@]1(C)[C@](C)(OC(=O)c1ccc([N+](=O)[O-])cc1)C2	2356856377	UAHLNDMVGKJCST-JEBQAFNWSA-N	317.385	4.357	5	1	DIBF	
Cc1onc(-c2ccccc2)c1COc1ccc([N+](=O)[O-])cc1	1857616396	LYYPIGJQTYUALT-UHFFFAOYSA-N	310.309	4.137	5	1	DIBF	
O=[N+]([O-])c1ccc(CN2CC[C@H]3c4ccccc4CC[C@H]3C2)cc1	26147661	VVBJJBPPUYOAEL-FXAWDEMLSA-N	322.408	4.147	5	1	DIBF	
Cc1cc2c(nc(C)n2[C@H](C)c2ccccc2)c([N+](=O)[O-])c1C	653697145	ZGXXFTHATZFYAK-CYBMUJFWSA-N	309.369	4.479	5	1	DIBF	
O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3)C2)cc1	98084176	IOGBNQKSLUTCRY-OAHLLOKOSA-N	302.717	4.114	5	1	DIBF	
Cc1cc2[nH]c(CSCc3ccsc3)nc2cc1[N+](=O)[O-]	587025921	PMDYYVOURTZJRI-UHFFFAOYSA-N	319.411	4.274	5	1	DIBF	
O=[N+]([O-])c1cccc2[nH]c(C(F)(F)F)c(-c3ccncc3)c12	587645477	WMPWPBKZKNZAAP-UHFFFAOYSA-N	307.231	4.157	5	1	DIBF	
COc1cccc2nc3c(OC)ccc(CC=C(C)C)c3nc12	2356856337	RZUVBPUJBSPEQR-UHFFFAOYSA-N	308.381	4.309	5	1	DIBF	
O=[N+]([O-])c1cc(/C=C\c2nc3ccc(O)cc3[nH]2)ccc1Cl	587047522	JXWPAPIIDFPPTB-KXFIGUGUSA-N	315.716	4.001	5	1	DIBF	
Cc1ccc(/C=C\c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1F	587146534	PFSXNQYIERZIJY-WAYWQWQTSA-N	311.316	4.397	5	1	DIBF	
O=C(c1ccccc1)c1c(C(F)F)[nH]c2cccc([N+](=O)[O-])c12	587646180	KZOWQHZKMBDXHD-UHFFFAOYSA-N	316.263	4.245	5	1	DIBF	
Cc1c(-c2ccc(Cl)c(N)c2)[nH]c2cccc([N+](=O)[O-])c12	587645157	XWDOEWOSMKISDL-UHFFFAOYSA-N	301.733	4.287	5	1	DIBF	
CC(C)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)(F)F	587644935	GESSDOZVWXDXRK-UHFFFAOYSA-N	314.263	4.020	5	1	DIBF	
O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CC(S)=Nc1ccccc1-3	13532132	AVIIETUEUKVYCP-UHFFFAOYSA-N	309.350	4.259	5	1	DIBF	
CCc1cc(-c2cc3c4c(cccc4n2)CC3)c(O)c([N+](=O)[O-])c1	587211120	MDUWCVIVTOCBLC-UHFFFAOYSA-N	320.348	4.177	5	1	DIBF	
O=[N+]([O-])c1ccc(-c2nnc(Nc3ccc(Cl)cc3)o2)cc1	66058832	LLQWNIPAIVPYSR-UHFFFAOYSA-N	316.704	4.042	5	1	DIBF	
NCCCCNc1c2c3ccccc3nc-2oc2ccccc12	95577233	OFZWTVPBPZELEU-UHFFFAOYSA-N	305.381	4.237	5	1	DIBF	
COc1cc2c3c(cc4cccc(OC)c4c3c1OC)N(C)CC2	14775394	GWANSGGBJLHALI-UHFFFAOYSA-N	323.392	4.011	5	1	DIBF	biogenic
O=[N+]([O-])c1cc2nc(-c3ccoc3C3CC3)[nH]c2cc1Cl	586900500	AGMYCNBJRXZCNN-UHFFFAOYSA-N	303.705	4.262	5	1	DIBF	
O=C(Cc1ccc([N+](=O)[O-])cc1)c1coc2ccc(Cl)cc12	587275744	FJXBEOUZSJBDLC-UHFFFAOYSA-N	315.712	4.420	5	1	DIBF	
Cn1c2c3cc([N+](=O)[O-])c(Cl)cc3nc-2cc2ccccc21	138270053	VANAEWPFBYWQOG-UHFFFAOYSA-N	311.728	4.393	5	1	DIBF	
O=[N+]([O-])c1cccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12	587085598	WCXFJFMYZNNYFX-UHFFFAOYSA-N	324.727	4.340	5	1	DIBF	
CC(C)Oc1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1	587160010	BTLQKESQRKIPGD-UHFFFAOYSA-N	315.304	4.064	5	1	DIBF	
CC(C)(C)C1CSC(c2cc([N+](=O)[O-])ccc2O)SC1	13733427	XKOFUVUASSAEAS-UHFFFAOYSA-N	313.444	4.441	5	1	DIBF	
O=c1oc2ccc(O)cc2c2c1[nH]c1ccc(C(F)(F)F)cc12	73197375	NQOUYYYDCNUVQE-UHFFFAOYSA-N	319.238	4.152	5	1	DIBF	
Cc1cc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2cc1[N+](=O)[O-]	586890635	RKMWJEPIQREBER-IFXJQAMLSA-N	319.364	4.151	5	1	DIBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccccc1Cl	587644819	PCIMLKKMOBZJQU-UHFFFAOYSA-N	314.728	4.269	5	1	DIBF	
Nc1ccccc1Nc1cc(=O)oc2c1ccc1ccccc12	84602067	QFPZQJWGBSZGCS-UHFFFAOYSA-N	302.333	4.272	5	1	DIBF	
O=C(c1ccc([N+](=O)[O-])cc1F)c1coc2ccc(Cl)cc12	587279262	ZNWMGCYQVSJMGA-UHFFFAOYSA-N	319.675	4.365	5	1	DIBF	
O=[N+]([O-])c1cc(F)c(Cl)cc1-c1ccsc1[N+](=O)[O-]	103207054	FLHGHSOJXMHPQX-UHFFFAOYSA-N	302.670	4.024	5	1	DIBF	
O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2Cl)cc1	299819213	AWPRSEBJVLJSJQ-UHFFFAOYSA-N	310.718	4.308	5	1	DIBF	
O=[N+]([O-])c1cccc2[nH]c(-c3cccnc3)c(-c3ccccn3)c12	587649043	OJPZEVJIFPNLNI-UHFFFAOYSA-N	316.320	4.200	5	1	DIBF	
CN(C/C=C/c1cccc([N+](=O)[O-])c1)Cc1cccc2cc[nH]c12	1772607281	OZUZOQJZSMWGQD-GQCTYLIASA-N	321.380	4.221	5	1	DIBF	
CC[C@@H](C)c1ccc2[nH]c(C)c(-n3nc([N+](=O)[O-])cc3C)c2c1	587642237	JWSJLBGXTCXMCB-SNVBAGLBSA-N	312.373	4.392	5	1	DIBF	
COc1c(F)cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C)cc1F	587645821	DXFYCXPMOXOUNT-UHFFFAOYSA-N	318.279	4.338	5	1	DIBF	
Cc1cc2[nH]c(/C=C/c3ccc(F)cc3F)nc2cc1[N+](=O)[O-]	587149600	HVARFIYATAPCKQ-HWKANZROSA-N	315.279	4.228	5	1	DIBF	
CCCc1[nH]c2cc([N+](=O)[O-])ccc2c1NC(=O)OC(C)(C)C	587646500	CVDWCBAKRHGMSY-UHFFFAOYSA-N	319.361	4.376	5	1	DIBF	
O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2ccc3ccccc3c2O1	26667880	WASRZANRLYMRPU-QGZVFWFLSA-N	319.316	4.189	5	1	DIBF	
O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1	587513752	UKIGXKVMRKXOLO-SFHVURJKSA-N	323.348	4.180	5	1	DIBF	
CC[C@@H](Oc1ccccc1F)c1nc2cccc([N+](=O)[O-])c2[nH]1	587156296	SZANTJJAZAROKK-CYBMUJFWSA-N	315.304	4.140	5	1	DIBF	
Cc1ccc2nn(CCN(C)C)c3c4ccccc4sc1c23	26825578	KWENJOSFNACKHR-UHFFFAOYSA-N	309.438	4.274	5	1	DIBF	
CN1O[C@H](CN)C[C@@H]1c1ccc2ccc3cccc4ccc1c2c34	66074957	KVEOJWRPBOOPOH-QFBILLFUSA-N	316.404	4.220	5	1	DIBF	
CCCCN=c1nc(O)c2c(ccc3c4ccccc4sc32)[nH]1	1857611419	BAVSTDRPGKUOHU-UHFFFAOYSA-N	323.421	4.337	5	1	DIBF	
O=C(c1coc2ccccc12)c1coc2cc([N+](=O)[O-])ccc12	587279608	NREIREJYALLSOG-UHFFFAOYSA-N	307.261	4.318	5	1	DIBF	
O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2ccc3ccccc3c2O1	26667876	WASRZANRLYMRPU-KRWDZBQOSA-N	319.316	4.189	5	1	DIBF	
CO[C@@H](C)c1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2N)cc1	587647010	CGCBLDDVWQRUFF-JTQLQIEISA-N	311.341	4.033	5	1	DIBF	
O=[N+]([O-])c1ccc2c(-c3ccccn3)c(-c3cccnc3)[nH]c2c1	587649464	VIBGAONVLFAXST-UHFFFAOYSA-N	316.320	4.200	5	1	DIBF	
O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@@]12C[C@@H]3C[C@H]1C[C@@H](C3)C2	587279679	NXGPBJDSROJBIQ-HXMRDUSMSA-N	311.337	4.350	5	1	DIBF	
CCc1ccc(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)cc1	587646818	KQILEYXKBRZXKD-UHFFFAOYSA-N	323.352	4.199	5	1	DIBF	
Nc1scc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)c1ccccc1	43063030	KEQHLJQPZVLREG-UHFFFAOYSA-N	324.361	4.137	5	1	DIBF	
O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1	587514545	ZLHXRPOZFHQXQU-SFHVURJKSA-N	323.348	4.180	5	1	DIBF	
CCN(CC)c1c2ccccc2[n+](C)c2c1[nH]c1ccccc12	64235828	SKBTVPPVZBEJFR-UHFFFAOYSA-O	304.417	4.145	5	1	DIBF	
Nc1nc2cc(Cl)c(Cl)cc2n2cc3ccccc3c12	299844674	PWADRUKGTHDONE-UHFFFAOYSA-N	302.164	4.530	5	1	DIBF	
Cc1ccc(C)c(CC(=O)c2coc3cc([N+](=O)[O-])ccc23)c1	587280009	YFJQLNSXVCESIP-UHFFFAOYSA-N	309.321	4.383	5	1	DIBF	
Nc1ccccc1Nc1ccc2c(=O)c3cccnc3ccc2c1	40914484	IVNNWHBPHXCJMH-UHFFFAOYSA-N	313.360	4.074	5	1	DIBF	
Cc1c2cccc-2c(OCCO)cc2c3ccccc3n(C)c12	1864727	NWSZRFWIUASTQE-UHFFFAOYSA-N	305.377	4.116	5	1	DIBF	
O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1cccnc12	66101645	BLFIBJASYWMFTO-UHFFFAOYSA-N	315.332	4.225	5	1	DIBF	
Cn1c([N+](=O)[O-])cnc1/C=C/c1ccccc1-c1ccccc1	40428778	JHIHBOJTUVXACK-VAWYXSNFSA-N	305.337	4.166	5	1	DIBF	
O=[N+]([O-])c1ccc(NCc2cc3ccccc3nc2Cl)cc1	103296238	HJBQJQLAJCQSJA-UHFFFAOYSA-N	313.744	4.409	5	1	DIBF	
O=C(Cc1ccc(Cl)cc1)c1coc2cc([N+](=O)[O-])ccc12	587279834	CPPKGZLPPWDHDK-UHFFFAOYSA-N	315.712	4.420	5	1	DIBF	
Cc1cc(C)cc(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c1	587646700	HPYZXKLHNQSZHC-UHFFFAOYSA-N	323.352	4.254	5	1	DIBF	
O=[N+]([O-])c1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1	114366588	NSTVFNSHCSHEMC-UHFFFAOYSA-N	304.309	4.368	5	1	DIBF	
O=[N+]([O-])c1cc2nc(CCc3ccccc3F)[nH]c2cc1Cl	587150911	UTHKWQNYXNHCNI-UHFFFAOYSA-N	319.723	4.049	5	1	DIBF	
CCOc1cc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)ccc1C	587779977	KMIBPXWWLJKKRY-UHFFFAOYSA-N	311.341	4.154	5	1	DIBF	
CC(=O)Nc1ccc(-c2cnc3ccc4ccncc4c3c2)cc1	28957593	SBJYLYLBPXXYFA-UHFFFAOYSA-N	313.360	4.408	5	1	DIBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1Cc1ccc(F)c(F)c1	587645742	JCILDOOYEBNFCH-UHFFFAOYSA-N	302.280	4.254	5	1	DIBF	
O=[N+]([O-])c1ccccc1-c1nc2cc(C(F)(F)F)ccc2[nH]1	49808521	SGLKNAXPGRPCFR-UHFFFAOYSA-N	307.231	4.157	5	1	DIBF	
COc1ccc2c(ccc3oc([N+](=O)[O-])cc32)c1Br	2009204	SHILELWYKIJMNT-UHFFFAOYSA-N	322.114	4.265	5	1	DIBF	
Cn1c(-c2c(O)ccc3ccccc23)nc2ccc([N+](=O)[O-])cc21	103179252	ZTNCOWCFWAEBDE-UHFFFAOYSA-N	319.320	4.007	5	1	DIBF	
O=[N+]([O-])c1ccc(-c2ccncc2)cc1OCCc1ccccc1	299855852	BSKQBAFMRGGMAL-UHFFFAOYSA-N	320.348	4.278	5	1	DIBF	
CCO[P@](=O)(Oc1ccccc1)Oc1ccc([N+](=O)[O-])cc1	28264461	GNRZPKXOCMYNMI-JOCHJYFZSA-N	323.241	4.197	5	1	DIBF	
C[C@@H]1CCCC[C@H]1Nc1cc(-c2cccc([N+](=O)[O-])c2)ncn1	82162206	YYIFRJLPECKYQO-IUODEOHRSA-N	312.373	4.042	5	1	DIBF	
O=[N+]([O-])c1ccc(C2=NO[C@@H](c3cccc(Cl)c3)C2)cc1	98084178	MKGYIQOSSZOJAP-OAHLLOKOSA-N	302.717	4.114	5	1	DIBF	
O=[N+]([O-])Cc1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12	587631437	MEKXLHWXVLPXGY-UHFFFAOYSA-N	304.708	4.404	5	1	DIBF	
O=[N+]([O-])c1cccc2nc(Cc3ccccc3C(F)(F)F)[nH]c12	587108076	OZQBBVRAXKHNPG-UHFFFAOYSA-N	321.258	4.081	5	1	DIBF	
O=C(CCc1ccc(F)cc1)c1coc2cc([N+](=O)[O-])ccc12	587280392	VLUPLKAGYGMXEJ-UHFFFAOYSA-N	313.284	4.296	5	1	DIBF	
Cc1c(-c2c(F)ccc(F)c2F)[nH]c2cc([N+](=O)[O-])ccc12	587645898	NXMUKFRTSUWGMH-UHFFFAOYSA-N	306.243	4.469	5	1	DIBF	
COCc1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12	587645915	OOILMKNZNXFUIV-UHFFFAOYSA-N	300.289	4.029	5	1	DIBF	
O=[N+]([O-])c1ccc(O[C@@H](CCn2ccnc2)c2ccccc2)cc1	28393513	MWCAASWKRSZOFR-SFHVURJKSA-N	323.352	4.002	5	1	DIBF	
Cc1cc2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2cc1[N+](=O)[O-]	587084780	SZEOKLNEJQUWGM-UHFFFAOYSA-N	323.139	4.148	5	1	DIBF	
O=NCc1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1	587190234	LFOAAVFPXZXAGS-UHFFFAOYSA-N	316.704	4.058	5	1	DIBF	
O=C(Cc1ccccc1Cl)c1coc2cc([N+](=O)[O-])ccc12	587279860	DXOYFLYMDGTAHS-UHFFFAOYSA-N	315.712	4.420	5	1	DIBF	
COCc1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12	587646025	QMVDWBSDQOVKKP-UHFFFAOYSA-N	300.289	4.029	5	1	DIBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1Cc1c(F)cccc1F	587646369	QHKLDRMTDNEXPV-UHFFFAOYSA-N	302.280	4.254	5	1	DIBF	
COc1cc2cnc3c4cc(O)ccc4ccc3c2cc1OC	1629547	KKQSZBUFOTUYNS-UHFFFAOYSA-N	305.333	4.264	5	1	DIBF	
COc1ccc2ccc3oc([N+](=O)[O-])cc3c2c1Br	2009202	CSDZACAPIMLEOW-UHFFFAOYSA-N	322.114	4.265	5	1	DIBF	
CC(C)(C)c1cc(O)cc(Sc2ccc([N+](=O)[O-])cc2)c1O	1772609968	ALYPSDMUJJAKFW-UHFFFAOYSA-N	319.382	4.455	5	1	DIBF	
Cc1ccc(Cn2c3cccc4cccc(c43)n3cnnc23)cc1	1772598526	LYJCDKMUXBTHDY-UHFFFAOYSA-N	312.376	4.194	5	1	DIBF	
Cc1cc2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2cc1[N+](=O)[O-]	587961541	RWEAOSDDPIKDKJ-KBPBESRZSA-N	307.353	4.126	5	1	DIBF	
O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCc1ccccc1	40974836	ZBKRFVVVGSFJGF-SFHVURJKSA-N	321.380	4.243	5	1	DIBF	
C[C@H](Nc1cc(-c2cccc([N+](=O)[O-])c2)ncn1)c1ccccc1	82160672	XJGVNFZCJVTRGS-ZDUSSCGKSA-N	320.352	4.225	5	1	DIBF	
CCC[N@+]1(C)CC[C@H]2[C@@H](C1)c1ccccc1N2Cc1ccccc1	253861234	AMAJGIBXVZDQBW-ODGPQVTHSA-N	321.488	4.419	5	1	DIBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccccc3)c(-c3cnccn3)c12	587648583	IUKVJPYJXTUPRU-UHFFFAOYSA-N	316.320	4.200	5	1	DIBF	
CC[C@]1(C)C[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586886516	CIAPCCHXMRICHY-ISVAXAHUSA-N	324.178	4.137	5	1	DIBF	
C[C@@H]1CCCC[C@@H]1Nc1cc(-c2cccc([N+](=O)[O-])c2)ncn1	82162204	YYIFRJLPECKYQO-DOMZBBRYSA-N	312.373	4.042	5	1	DIBF	
COc1c(-c2cc3c4c(cccc4n2)CC3)cc(F)cc1[N+](=O)[O-]	587213944	TYCNZQDJJBZAIE-UHFFFAOYSA-N	324.311	4.056	5	1	DIBF	
O=[N+]([O-])c1ccc([C@H](c2ccc(Cl)cc2)n2ccnc2)cc1	28231812	YUEPJPBMYRISMM-INIZCTEOSA-N	313.744	4.082	5	1	DIBF	
O=[N+]([O-])c1cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1F	586882738	ASROMYINZNBFEV-IJZKUYQOSA-N	315.348	4.078	5	1	DIBF	
CC(C)c1ccc2oc(-c3ccc([N+](=O)[O-])cc3)cc(=O)c2c1	58591794	SVSVKHWCUQIAOD-UHFFFAOYSA-N	309.321	4.492	5	1	DIBF	
NCCCCNc1nc2ccccc2c2[nH]c3ccccc3c12	169309437	CENZXHIBLLBIIC-UHFFFAOYSA-N	304.397	4.020	5	1	DIBF	
C[C@H](SCc1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1	586961901	MPFFBWJOCZESLF-NSHDSACASA-N	313.382	4.466	5	1	DIBF	
CCc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cc([N+](=O)[O-])ccc12	587648002	XQODJYALMAZRCM-UHFFFAOYSA-N	311.297	4.214	5	1	DIBF	
O=C(c1ccc(F)c(Cl)c1)c1coc2cc([N+](=O)[O-])ccc12	587280376	VEOAYKFPGFORKH-UHFFFAOYSA-N	319.675	4.365	5	1	DIBF	
Cc1ccc(C(=O)Nc2ccc3nc4ccccc4nc3c2)cc1	96935021	WPALMUAVDLRCAY-UHFFFAOYSA-N	313.360	4.344	5	1	DIBF	
COc1cc2ccc3cc(O)c(OC)c4ccc(c1OC)c2c34	14684063	WDTIUHCVSBKXKZ-UHFFFAOYSA-N	308.333	4.315	5	1	DIBF	biogenic
Cc1cc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3)nc2cc1[N+](=O)[O-]	587161735	BSXHEJDAVPYGFP-STQMWFEESA-N	311.316	4.190	5	1	DIBF	
COc1c(OC)c2ccn(C)c3c([O])c4ccccc4c(c1O)c23	2356817641	VKAFIGJWWLWLJU-UHFFFAOYSA-N	322.340	4.351	5	1	DIBF	
O=Cc1c[nH]c2c1ccc1c2[nH]c2cccc(Br)c21	64479769	IYKWFKKDLTZONH-UHFFFAOYSA-N	313.154	4.377	5	1	DIBF	
Nc1ccc(Sc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1	299840289	UWAMIZFSOCHSQL-UHFFFAOYSA-N	314.288	4.347	5	1	DIBF	
CC(C)(C[N+](C)(C)C)[C@H]1O[C@H]2CCCC[C@@H]2[C@@H]2C=CCC[C@H]21	12858446	YENWMUFPFCZVBN-JKEDJMADSA-N	306.514	4.259	5	1	DIBF	
O=C1NCc2c1c1c3ccccc3[nH]c1c1oc3ccccc3c21	14954813	DOZKSGRZZQMRCD-UHFFFAOYSA-N	312.328	4.464	5	1	DIBF	
O=[N+]([O-])c1cccc(-c2nc(-c3ccco3)cc3cccnc23)c1	13805270	PFKDOFDHKJKNBI-UHFFFAOYSA-N	317.304	4.465	5	1	DIBF	
O=C(c1ccc(Cl)c(F)c1)c1coc2cc([N+](=O)[O-])ccc12	587280548	ZQVYBLMXCTXCFC-UHFFFAOYSA-N	319.675	4.365	5	1	DIBF	
CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccc2cc[nH]c12	1772599858	RTQGFFIPUBIXPW-WEVVVXLNSA-N	321.380	4.221	5	1	DIBF	
CN(C)CCCCn1c2ccccc2c2nc3ccccc3nc21	1772654915	JMQOPJSOLLQSII-UHFFFAOYSA-N	318.424	4.080	5	1	DIBF	
CCCCC1CCC(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CC1	400678255	VNAMMDRMMHNKJR-UHFFFAOYSA-N	302.378	4.330	5	1	DIBF	
OCCCCNCc1ccc2ccc3cccc4ccc1c2c34	26470348	ZFHVHUBEIKZKMY-UHFFFAOYSA-N	303.405	4.446	5	1	DIBF	
CCC(C)(C)c1cc(O)c(Cc2ccc([N+](=O)[O-])cc2)cc1O	45339656	GJQJCRQFRANJFL-UHFFFAOYSA-N	315.369	4.284	5	1	DIBF	
O=[N+]([O-])c1cc(/C=C\c2nc3cccc(O)c3[nH]2)ccc1Cl	587047070	AKSBTQPJCKDFPE-ALCCZGGFSA-N	315.716	4.001	5	1	DIBF	
O=C(c1c(-c2ccco2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F	587644830	CSPPNSHUFCISLP-UHFFFAOYSA-N	324.214	4.081	5	1	DIBF	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1[N+](=O)[O-]	103172651	FFSOCEBMSRQRFC-DVOMOZLQSA-N	305.374	4.212	5	1	DIBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc(Cl)cc1	216120673	BVTMHPZFFPDBAA-UHFFFAOYSA-N	314.728	4.269	5	1	DIBF	
O=[N+]([O-])c1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1F	586882737	ASROMYINZNBFEV-BHGXRVDKSA-N	315.348	4.078	5	1	DIBF	
O=c1[nH]ccc2c3[nH]c(C4CCCC4)nc3c3ccc(F)cc3c12	29136000	XQCVNFDLYVUIEG-UHFFFAOYSA-N	321.355	4.354	5	1	DIBF	
O=C(c1cccc(Cl)c1F)c1coc2cc([N+](=O)[O-])ccc12	587280317	SGDKFFWEZDTTIM-UHFFFAOYSA-N	319.675	4.365	5	1	DIBF	
Cc1nc2cccc3c2c(c1Cc1ccccc1[N+](=O)[O-])CC3	587211483	RLJGUHJUOQHCQZ-UHFFFAOYSA-N	304.349	4.141	5	1	DIBF	
N=c1cc[nH]cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1	587248715	CGQRWTFMDPYGJN-UHFFFAOYSA-N	310.360	4.344	5	1	DIBF	
O=[N+]([O-])c1cccc(CNc2cc3c(cn2)[nH]c2ccccc23)c1	72175919	KKGKUYTTYJULKY-UHFFFAOYSA-N	318.336	4.236	5	1	DIBF	
COc1c(-c2cc3c4c(cccc4n2)CC3)cc(C)cc1[N+](=O)[O-]	587210970	JDKGJMQYECMXOW-UHFFFAOYSA-N	320.348	4.226	5	1	DIBF	
CC(C)Cc1c2[nH]c3ccccc3nc-2c2ccccc2c1=O	102000862	JCBTVMDEQLUSSK-UHFFFAOYSA-N	302.377	4.380	5	1	DIBF	
CN1CCCC[C@H]1CCn1c2ccccc2c(=O)c2ccccc21	474609810	VNZCKAIMSPTFPN-INIZCTEOSA-N	320.436	4.029	5	1	DIBF	
O=[N+]([O-])c1cccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12	587153292	YBWGWLNSIQFTFP-NXEZZACHSA-N	315.279	4.020	5	1	DIBF	
C[C@@H](O)CCNCc1ccc2ccc3cccc4ccc1c2c34	26471617	FQKOMVAUADRIBU-CQSZACIVSA-N	303.405	4.445	5	1	DIBF	
O=[N+]([O-])c1ccc2c(c1)-c1nc3cccc4c3c(c1CC2)CC4	587210999	JMRQCYRQDFJBRZ-UHFFFAOYSA-N	302.333	4.007	5	1	DIBF	
COc1cc2c(cc1Oc1ccccc1)[C@H]1CCC[N@+]1(C)CC2	1772572075	KQCFFJJPKZZWLE-WIYYLYMNSA-N	310.417	4.325	5	1	DIBF	
Cc1cccc(C)c1NC(=O)c1c(C)[nH]c2cccc([N+](=O)[O-])c12	587646673	GPYCNDFDRVYWEQ-UHFFFAOYSA-N	323.352	4.254	5	1	DIBF	
CCCOc1ccccc1-c1[nH]c2cccc([N+](=O)[O-])c2c1N	587647930	UADNUHMAWVLZKN-UHFFFAOYSA-N	311.341	4.114	5	1	DIBF	
CC(=O)c1ccc2c(c1)c1c(C)c3c[n+](C)ccc3c(C)c1n2C	1612159	HFZYLOLYAXUMBM-UHFFFAOYSA-N	317.412	4.129	5	1	DIBF	
O=C(Cc1ccc(F)c(F)c1)c1coc2cc([N+](=O)[O-])ccc12	587280455	XKLITUUGQXMGOX-UHFFFAOYSA-N	317.247	4.045	5	1	DIBF	
O=[N+]([O-])c1ccc2c(O)c(-c3ccc(C(F)(F)F)cc3)[nH]c2c1	587646610	XKDXKSNBWHEWKI-UHFFFAOYSA-N	322.242	4.468	5	1	DIBF	
Cc1cc(Cl)cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12	587270727	RHPXTEMELBDTFZ-UHFFFAOYSA-N	315.760	4.218	5	1	DIBF	
Cc1c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cccc1[N+](=O)[O-]	587261007	PCSJITGSARDEKF-UHFFFAOYSA-N	321.258	4.465	5	1	DIBF	
COc1cc2c(cc1Oc1ccccc1)CC[N@+]1(C)CCC[C@@H]21	1772605378	AQNYKOQKEAPUGW-RXVVDRJESA-N	310.417	4.325	5	1	DIBF	
Cc1cc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1[N+](=O)[O-]	586893736	YIROGIDYDGEBJI-ZVZLLHMNSA-N	311.385	4.247	5	1	DIBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1cccc(Cl)c1	587644609	HPKBFTGUXAPIHX-UHFFFAOYSA-N	314.728	4.269	5	1	DIBF	
c1ccc2c(c1)nc(NC[C@H]1CCCO1)c1c3ccccc3[nH]c21	169309449	RONBXELJMWJNNL-CYBMUJFWSA-N	317.392	4.460	5	1	DIBF	
O=C(c1ccccc1[N+](=O)[O-])c1coc2ccc(Cl)cc12	587276997	YNPIPTLJFNLURA-UHFFFAOYSA-N	301.685	4.225	5	1	DIBF	
Cc1cc(C=O)c2c(=O)c3c(O)ccc(/C=C/C(C)C)c3oc2c1	6484412	SYYAOFKGRFPPSI-SNAWJCMRSA-N	322.360	4.442	5	1	DIBF	
Cc1ccc(/C=C/c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1F	587146351	JGUSYYBLXBDFAQ-SNAWJCMRSA-N	315.279	4.228	5	1	DIBF	
CCc1ccccc1NC(=O)c1c(C)[nH]c2cccc([N+](=O)[O-])c12	587647114	QFZLDJVDIAHRBR-UHFFFAOYSA-N	323.352	4.199	5	1	DIBF	
CCC[N@+]1(C)CC[C@@H]2[C@H](C1)c1ccccc1N2Cc1ccccc1	253861232	AMAJGIBXVZDQBW-KIFXHHALSA-N	321.488	4.419	5	1	DIBF	
O=[N+]([O-])c1ccc(Cc2nc(-c3ccc(F)cc3)cs2)cc1	587923230	WRUMBRBGFJSDRZ-UHFFFAOYSA-N	314.341	4.448	5	1	DIBF	
C1=C[C@@H]2C[C@H]1C[C@H]2c1nc2c3cccnc3c3ncccc3c2[nH]1	587966936	IOZWTXXFEGGRGE-YWPYICTPSA-N	312.376	4.339	5	1	DIBF	
O=[N+]([O-])c1ccc(C2=NO[C@H](c3cccc(Cl)c3)C2)cc1	98084177	MKGYIQOSSZOJAP-HNNXBMFYSA-N	302.717	4.114	5	1	DIBF	
CC(C)(C[N+](C)(C)C)[C@@H]1O[C@H]2CCCC[C@@H]2[C@@H]2C=CCC[C@@H]21	169307212	YENWMUFPFCZVBN-XCDZQEORSA-N	306.514	4.259	5	1	DIBF	
CC[C@@]1(C)C[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586887389	GNSZDXSUQUMZCN-UHLUBPPHSA-N	324.178	4.137	5	1	DIBF	
O=[N+]([O-])c1cc2nc(-c3ccc(F)c(F)c3)[nH]c2cc1Cl	587145178	GUBYGVUPYPQFOB-UHFFFAOYSA-N	309.659	4.070	5	1	DIBF	
CCCCc1c(-c2cn(C)nc2C)[nH]c2cc([N+](=O)[O-])ccc12	587647920	TUPDQDNSHPUANN-UHFFFAOYSA-N	312.373	4.128	5	1	DIBF	
O=[N+]([O-])c1ccc(C[C]2C=CN(Cc3ccc(F)cc3)C=C2)cc1	2356858690	KURDUYWUAJRKHA-UHFFFAOYSA-N	323.347	4.394	5	1	DIBF	
CC(C)(C)C1CSC(c2cc(O)ccc2[N+](=O)[O-])SC1	13733430	SRKAJUCZBQXLSU-UHFFFAOYSA-N	313.444	4.441	5	1	DIBF	
CC[N+](CC)(CC)COC(=O)[C@H](c1ccccc1)C1CCCC1	27527244	BDWJRSUOHNUSAD-LJQANCHMSA-N	318.481	4.338	5	1	DIBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1nc(-c2ccccc2)no1	587649703	XPFZJIQTLFZHGJ-UHFFFAOYSA-N	320.308	4.102	5	1	DIBF	
O=[N+]([O-])c1ccc2c(c1)C(=Cc1cccnc1O)c1ccccc1-2	1857554154	MVTMDLZYZGZZCA-UHFFFAOYSA-N	316.316	4.265	5	1	DIBF	
Cc1oc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1[N+](=O)[O-]	587269667	YMJQKGUMKDITNW-UHFFFAOYSA-N	312.112	4.346	5	1	DIBF	
Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1C(F)(F)F	299831875	JEQFNYGLBNNXGK-UHFFFAOYSA-N	314.288	4.347	5	1	DIBF	
O=C(CSc1ccccc1)c1coc2cc([N+](=O)[O-])ccc12	587280498	YNLIIPWZEJELDW-UHFFFAOYSA-N	313.334	4.316	5	1	DIBF	
COc1ccc(/C=C/c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-]	40973010	FAJYSVVZMRUMJE-NSCUHMNNSA-N	309.243	4.191	5	1	DIBF	
CC(C)(C)c1cccc(-n2cc(-c3cccc([N+](=O)[O-])c3)nn2)c1	473085244	WDFDVBUCXSINMD-UHFFFAOYSA-N	322.368	4.140	5	1	DIBF	
Cc1c(-c2cc(F)c(O)c(F)c2)[nH]c2cc([N+](=O)[O-])ccc12	587646454	TZNVCMFQPVXMNO-UHFFFAOYSA-N	304.252	4.035	5	1	DIBF	
Cc1ccc(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c(C)c1	587647473	YVAHXHGRGWALBH-UHFFFAOYSA-N	323.352	4.254	5	1	DIBF	
CCN(CC)CCCCn1c2ccccc2c(=O)c2ccccc21	34206160	QHSXELZOXIQJEU-UHFFFAOYSA-N	322.452	4.277	5	1	DIBF	
O=c1oc2cc3occc3cc2c2oc3cc4c(cc3c12)OCO4	15203333	YQXNKHVPEJJBTJ-UHFFFAOYSA-N	320.256	4.167	5	1	DIBF	endogenous,in-man
Cc1cc2[nH]c(-c3ccc4ccccc4c3N)nc2cc1[N+](=O)[O-]	587253125	BKPHWYPVQBBXSO-UHFFFAOYSA-N	318.336	4.182	5	1	DIBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12	587950960	HLVMXVYPHMASOX-UHFFFAOYSA-N	309.325	4.069	5	1	DIBF	
COCCc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1cccc(F)c1	587645716	INEXNJHXNWEMSY-UHFFFAOYSA-N	314.316	4.071	5	1	DIBF	
Fc1ccccc1Cn1c2cccc3cccc(c32)n2cnnc12	1772652208	AUEZZDXOHVYPSX-UHFFFAOYSA-N	316.339	4.025	5	1	DIBF	
O=[N+]([O-])c1ccc(Nc2cccc3ccccc23)c2nonc12	95593739	GWVBEZDVKJMNKS-UHFFFAOYSA-N	306.281	4.028	5	1	DIBF	
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[N+](=O)[O-]	118935166	VHIMUDDHWXRBRO-KHOSGYARSA-N	321.461	4.035	5	1	DIBF	
Cc1c(Cl)ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12	587269930	JKOKBMOEAMQXQL-UHFFFAOYSA-N	315.760	4.218	5	1	DIBF	
O=C(O)c1ccc2c(c1)nc(-c1ccccc1F)c1ccncc12	59222590	NAJALUIUEHGCFO-UHFFFAOYSA-N	318.307	4.287	5	1	DIBF	
O=[N+]([O-])c1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1F	587161908	SVHPNNUQSHPVKE-MNOVXSKESA-N	315.279	4.020	5	1	DIBF	
O=C(c1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)F	587645678	AWSLIRJQNWAFMT-UHFFFAOYSA-N	316.263	4.191	5	1	DIBF	
O=Cc1c[nH]c2c1ccc1c3ccc(Br)cc3[nH]c12	64491725	SPEJLOPLPXXWKF-UHFFFAOYSA-N	313.154	4.377	5	1	DIBF	
CCOc1ccc2c(Nc3cccc([N+](=O)[O-])c3)ccnc2c1	1857540805	XVBRHXGDBCGDMS-UHFFFAOYSA-N	309.325	4.285	5	1	DIBF	
O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(O)cccc3[nH]2)o1	587265142	OHYLVFXTPQXIKB-UHFFFAOYSA-N	321.292	4.104	5	1	DIBF	
O=C(O)c1cccc(Nc2ccc([N+](=O)[O-])c3ccccc23)c1	84634844	ZLIDMWNTWSBTSM-UHFFFAOYSA-N	308.293	4.190	5	1	DIBF	in-vitro
COc1c2c(cc3c(=O)c4ccccc4oc13)OC(C)(C)CC2	96932845	AGPBWIJOTOAIJF-UHFFFAOYSA-N	310.349	4.058	5	1	DIBF	
O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1F	587161907	SVHPNNUQSHPVKE-GHMZBOCLSA-N	315.279	4.020	5	1	DIBF	
Cc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)sc1C	587279813	BKEZUWGTLPMXBT-UHFFFAOYSA-N	301.323	4.250	5	1	DIBF	
Nc1ncccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21	1857534143	WNDNOORHWZZFIZ-UHFFFAOYSA-N	315.332	4.141	5	1	DIBF	
Cc1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2n1	66112848	RRABJQKLVBAURX-UHFFFAOYSA-N	322.324	4.095	5	1	DIBF	
O=[N+]([O-])c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1	587085613	WUGZPBFELKLGJN-UHFFFAOYSA-N	324.727	4.340	5	1	DIBF	
Cc1cc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3)nc2cc1[N+](=O)[O-]	587161729	BSXHEJDAVPYGFP-CHWSQXEVSA-N	311.316	4.190	5	1	DIBF	
COc1cc2c(cc1OC)C1=CC[C@H](c3ccccc3)[N@+]1(C)CC2	299816675	LLOUHYSVZWUGFZ-GCJKJVERSA-N	322.428	4.192	5	1	DIBF	
Cc1c(F)ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12	587139896	RVWLJYOPWCWWDE-UHFFFAOYSA-N	323.686	4.378	5	1	DIBF	
O=c1c(O)cc2cc(O)c3oc4ccccc4c4ccc1c2c34	85994791	WEQGUVNFNHXVGR-UHFFFAOYSA-N	302.285	4.102	5	1	DIBF	
Cc1ccc2oc3c(O)c4c(cc3c(=O)c2c1)CCC(C)(C)O4	96928325	ASFSORGBTIWQKF-UHFFFAOYSA-N	310.349	4.064	5	1	DIBF	
C[C@H]1CCCC[C@H]1Nc1cc(-c2cccc([N+](=O)[O-])c2)ncn1	82162207	YYIFRJLPECKYQO-SWLSCSKDSA-N	312.373	4.042	5	1	DIBF	
O=[N+]([O-])c1ccc([C@@H]2CC(c3cccc4ccccc34)=NN2)cc1	103215841	LZBDVYRTWJVQAG-SFHVURJKSA-N	317.348	4.187	5	1	DIBF	
COc1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12	587644889	PXDPHWCSXUUUSW-UHFFFAOYSA-N	302.717	4.405	5	1	DIBF	
C[C@H]1CCc2sc(-c3nc4c([N+](=O)[O-])cccc4[nH]3)cc2C1	587033188	GVXHSTYSVIHSFM-VIFPVBQESA-N	313.382	4.324	5	1	DIBF	
CCCNCc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1C	299822078	OKOGLUWUDPTGQC-UHFFFAOYSA-N	323.396	4.253	5	1	DIBF	
Cc1c(-c2nc3cc(Cl)cc(F)c3[nH]2)cccc1[N+](=O)[O-]	587261157	WOIXKCCQHWJMON-UHFFFAOYSA-N	305.696	4.239	5	1	DIBF	
Cc1ccccc1C(C)(C)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587955286	MNAAHEDVJWFZDB-UHFFFAOYSA-N	313.332	4.245	5	1	DIBF	
O=C(c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)F	587646450	TXFUJOWXKMJINC-UHFFFAOYSA-N	316.263	4.191	5	1	DIBF	
COc1cc2ccn(C)c3c([O])c4cccc(OC)c4c(c1O)c23	2356814467	XPHZWZDSCJCRPT-UHFFFAOYSA-N	322.340	4.351	5	1	DIBF	
Cc1cc2[nH]c(C(C)(C)c3ccccc3C)nc2cc1[N+](=O)[O-]	587955092	JQCRTTFCMFYPBK-UHFFFAOYSA-N	309.369	4.414	5	1	DIBF	
O=C(O)c1ccc2c(=O)c3cc(Cl)cc(Cl)c3ccc2c1	169347778	MHHKGAYKRHHILS-UHFFFAOYSA-N	319.143	4.358	5	1	DIBF	
Cc1ccc2oc(=S)n(Cc3ccccc3[N+](=O)[O-])c2c1	1772650377	DXBUBILPNDTCNC-UHFFFAOYSA-N	300.339	4.229	5	1	DIBF	
CC(C)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccccc1	587646755	KDFBPIJYJWGDEY-UHFFFAOYSA-N	323.352	4.452	5	1	DIBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1Oc1ccccc1[N+](=O)[O-]	587647035	DDMJGJPSXVNDRQ-UHFFFAOYSA-N	313.269	4.085	5	1	DIBF	
Cc1ccc2c(c1)[nH]c1c3cc(O)c(CC(=O)O)cc3ccc21	40421381	RIVUNEBMYQCJSY-UHFFFAOYSA-N	305.333	4.115	5	1	DIBF	
O=[N+]([O-])c1ccc2[nH]c3c[nH]c4c5ccccc5nc-4c3c2c1	100660608	CKSMVDPYMHRLKH-UHFFFAOYSA-N	302.293	4.210	5	1	DIBF	
Fc1cccc(Cn2c3cccc4cccc(c43)n3cnnc23)c1	1772609354	GZZPZYBRLYMKHA-UHFFFAOYSA-N	316.339	4.025	5	1	DIBF	
O=C(c1ccc(F)cc1)c1cc2c(ccc3ccccc32)oc1=O	40950662	RZOBGRUPQYKXHY-UHFFFAOYSA-N	318.303	4.316	5	1	DIBF	
COC(=O)Cn1ccc2c(C)c3nc4ccccc4c3c(C)c2c1	377809041	PGAHEPHFZPOGON-UHFFFAOYSA-N	318.376	4.133	5	1	DIBF	
O=[N+]([O-])c1ccc2[nH]c3cnc(NCc4ccccc4)cc3c2c1	95556287	PWWSTGMMBIFOJD-UHFFFAOYSA-N	318.336	4.236	5	1	DIBF	
Cc1ccccc1C(=O)Nc1ccc2nc3ccccc3nc2c1	96935022	HWPNUISQLCPPTP-UHFFFAOYSA-N	313.360	4.344	5	1	DIBF	
CCCC/C=C\c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587965418	LVTRVAFQALXSNP-WAYWQWQTSA-N	324.178	4.437	5	1	DIBF	
O=[N+]([O-])c1ccccc1CN1C=C[C](Cc2ccccc2)C=C1	2356816002	NTOATOGPCKOLFP-UHFFFAOYSA-N	305.357	4.255	5	1	DIBF	
CC1(C)OC(=S)Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21	13488845	FEWVQKWESAUNPQ-UHFFFAOYSA-N	314.366	4.224	5	1	DIBF	
CSc1cccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)c1	653695793	JJHGILLRJHNHGK-UHFFFAOYSA-N	312.354	4.004	5	1	DIBF	
Cc1ccc(Cl)c2c(=O)c3ccc([N+](=O)[O-])cc3sc12	5843394	MAAFWJAFQPGVAD-UHFFFAOYSA-N	305.742	4.285	5	1	DIBF	
O=[N+]([O-])c1cc(/C=C\c2nc3cccc(F)c3[nH]2)ccc1Cl	587048823	YVLNGSVVQZZDSE-ALCCZGGFSA-N	317.707	4.434	5	1	DIBF	
CC[C@H](CO)NCc1ccc2ccc3cccc4ccc1c2c34	26470748	SUFDJIDNKDWQRO-GOSISDBHSA-N	303.405	4.445	5	1	DIBF	
CC1(C)Cc2cnn(-c3ccccc3)c2-c2cc([N+](=O)[O-])ccc21	84587324	XIGIOMHVYCFDKB-UHFFFAOYSA-N	319.364	4.281	5	1	DIBF	
O=c1cc(-c2ccc(Cl)c([N+](=O)[O-])c2)oc2ccccc12	6117569	YDQBNIDWVWSZQA-UHFFFAOYSA-N	301.685	4.022	5	1	DIBF	
CCCCC[C@H](C)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1	72183383	XBJJKSQXJZYHNK-ZDUSSCGKSA-N	317.389	4.308	5	1	DIBF	
O=C(c1ccc(Cl)cc1)c1coc2cc([N+](=O)[O-])ccc12	587280214	OHBSGIVJXAKNBY-UHFFFAOYSA-N	301.685	4.225	5	1	DIBF	
O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Cl)cc(F)c3[nH]2)c1	587160128	IMCFATMBCSLRQU-UHFFFAOYSA-N	309.659	4.070	5	1	DIBF	
CC(C)(C)C(=O)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12	587645486	WQEODFBOTCHBHO-UHFFFAOYSA-N	314.263	4.324	5	1	DIBF	
O=c1[nH]nc(-c2ccccc2)c2[nH]c3c4ccccc4ccc3c12	5974733	JKVAPEYRKWFZCZ-UHFFFAOYSA-N	311.344	4.225	5	1	DIBF	
Fc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1	73221533	FTSCIJYRLIDZLF-UHFFFAOYSA-N	314.323	4.465	5	1	DIBF	
O=[N+]([O-])c1cc(F)cc(-c2nc3ccc4c(c3[nH]2)CCCC4)c1	587160040	DETDSRJUMLGYCD-UHFFFAOYSA-N	311.316	4.156	5	1	DIBF	
COc1cc2c(c3oc4ccccc4c(=O)c13)OC(C)(C)CC2	96932850	JCSVHRWWVSXXLL-UHFFFAOYSA-N	310.349	4.058	5	1	DIBF	
O=[N+]([O-])c1ccc2nc(-c3cc(Cl)cc(Cl)c3O)[nH]c2c1	73198634	PFWOLAVCSMAJKH-UHFFFAOYSA-N	324.123	4.151	5	1	DIBF	
O=C(c1c(-c2cccs2)[nH]c2cccc([N+](=O)[O-])c12)C(F)F	587646337	OOYJBLSRVFVKEY-UHFFFAOYSA-N	322.292	4.252	5	1	DIBF	
COc1cc(Br)cc2nc3cc(C)c(C)cc3nc12	72108514	JZWLMGCYOWLKCY-UHFFFAOYSA-N	317.186	4.171	5	1	DIBF	
O=[N+]([O-])c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1	587967508	ODOLTIMHRSLQTB-UHFFFAOYSA-N	309.369	4.311	5	1	DIBF	
COc1ccc(/C=C/c2cc(F)c(F)c(F)c2)c([N+](=O)[O-])c1	40973008	ARBGJUWPWCCEQP-NSCUHMNNSA-N	309.243	4.191	5	1	DIBF	
Cc1c(-c2nc3ccc(Cl)c(C)c3[nH]2)cccc1[N+](=O)[O-]	587260739	BSBHICDWEGHQOJ-UHFFFAOYSA-N	301.733	4.408	5	1	DIBF	
Nc1oc2cc([N+](=O)[O-])ccc2c1Nc1ccc(F)c(Cl)c1	1857648721	YCMOTVAPZWSZJO-UHFFFAOYSA-N	321.695	4.459	5	1	DIBF	
CCOc1nc2cc(-c3ccccc3)nnc2c2ccccc12	28761558	CXIHFTAOXLFTRE-UHFFFAOYSA-N	301.349	4.244	5	1	DIBF	
COc1ccc(Cl)cc1C(=S)Nc1ccc([N+](=O)[O-])cc1	84690006	AYQKFJQYDIQXQJ-UHFFFAOYSA-N	322.773	4.044	5	1	DIBF	
O=[N+]([O-])c1cccc(CCc2nc3ccc4c(c3[nH]2)CCCC4)c1	587270918	XBEYDKCOBCNCHI-UHFFFAOYSA-N	321.380	4.135	5	1	DIBF	
Cc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(F)c1F	587280305	RVCMYPVZKWZZSS-UHFFFAOYSA-N	317.247	4.159	5	1	DIBF	
CCOCCOCc1nc2c3ccccc3c3ccccc3c2[nH]1	587777563	ARTVFOSFOCKFKV-UHFFFAOYSA-N	320.392	4.422	5	1	DIBF	
CC(C)(C)OC(=O)Nc1c(C2CC2)[nH]c2cc([N+](=O)[O-])ccc12	587646468	AYHWPYYYTRQQNM-UHFFFAOYSA-N	317.345	4.301	5	1	DIBF	
O=[N+]([O-])c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1	587028352	TVKLCFOQQLFKAR-UHFFFAOYSA-N	322.349	4.262	5	1	DIBF	
Cc1c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cccc1[N+](=O)[O-]	587260989	OGVGTBRLFIZBAB-UHFFFAOYSA-N	323.139	4.148	5	1	DIBF	
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H]([N+](=O)[O-])CC[C@H]12	96175839	VHIMUDDHWXRBRO-IWYSFSABSA-N	321.461	4.035	5	1	DIBF	
O=[N+]([O-])c1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2O)cc1	587630933	FHRULXRQGKANSX-UHFFFAOYSA-N	306.680	4.241	5	1	DIBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(Cl)cc1	587644957	SADQEKJZQSPJRY-UHFFFAOYSA-N	314.728	4.269	5	1	DIBF	
O=[N+]([O-])c1ccc(-c2nc3c(Cl)c4ncccc4cc3[nH]2)cc1	73224641	XENAOWOBYWGOSI-UHFFFAOYSA-N	324.727	4.340	5	1	DIBF	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(F)cc3[nH]2)c1F	587139850	PZTNKWVEWUCRRT-UHFFFAOYSA-N	309.659	4.070	5	1	DIBF	
Cc1c(-c2c(F)cc(F)cc2F)[nH]c2cc([N+](=O)[O-])ccc12	587645634	AJTGETVDJZNMLT-UHFFFAOYSA-N	306.243	4.469	5	1	DIBF	
CCCC/C=C/c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587966539	VYGDDDQRZAAMJX-AATRIKPKSA-N	324.178	4.437	5	1	DIBF	
Cc1cc(C)cc(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c1	587647151	RWKWHGLMIZTFRQ-UHFFFAOYSA-N	323.352	4.254	5	1	DIBF	
CO[C@H](C)c1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2N)cc1	587647976	WRUXRQHMZRNGJC-SNVBAGLBSA-N	311.341	4.033	5	1	DIBF	
COc1c2c(cc3oc4ccccc4c(=O)c13)CCC(C)(C)O2	96932849	IEBFTSIPXMVBOB-UHFFFAOYSA-N	310.349	4.058	5	1	DIBF	
Cc1c(-c2c(F)cc(F)cc2F)[nH]c2cccc([N+](=O)[O-])c12	587646569	VIZNVKMEYPDWHM-UHFFFAOYSA-N	306.243	4.469	5	1	DIBF	
COc1cc2c(cc1Oc1ccccc1)CC[N@+]1(C)CCC[C@H]21	1772605377	AQNYKOQKEAPUGW-NQIIRXRSSA-N	310.417	4.325	5	1	DIBF	
Cc1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1	587269048	IRTGPMTVBBSBMF-UHFFFAOYSA-N	322.368	4.047	5	1	DIBF	
Cc1cc(F)c2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc2c1	587140243	VJOQXXGRNCRMFO-UHFFFAOYSA-N	323.686	4.378	5	1	DIBF	
COc1ccc2c(c1)nc(-c1ccc([N+](=O)[O-])cc1)c1cccn12	653872977	IBCOMHQUTPHFHN-UHFFFAOYSA-N	319.320	4.071	5	1	DIBF	
O=C(c1c(F)cccc1Cl)c1coc2cc([N+](=O)[O-])ccc12	587279783	APKXJIBEKVBDCP-UHFFFAOYSA-N	319.675	4.365	5	1	DIBF	
Nc1cccc(Nc2cc(=O)oc3c2ccc2ccccc23)c1	84602069	FHXDMEZSHHQCJG-UHFFFAOYSA-N	302.333	4.272	5	1	DIBF	
CCSc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])CCCC2(C)C	103192607	NEYNERMEUSYTNQ-UHFFFAOYSA-N	310.375	4.229	5	1	DIBF	
Cn1c(-c2ccc([N+](=O)[O-])cc2)nc2cc(C(F)(F)F)ccc21	49071494	VGSBOZQLPZTEFB-UHFFFAOYSA-N	321.258	4.167	5	1	DIBF	
CC(C)c1ccc(C(=O)C(Cl)(Cl)Cl)cc1[N+](=O)[O-]	1857654817	UCNGKVPWOWXABJ-UHFFFAOYSA-N	310.564	4.271	5	1	DIBF	
CCN(C)c1nc2cc(-c3ccccc3)nnc2c2ccccc12	28760153	CXPLOPJUAUESAD-UHFFFAOYSA-N	314.392	4.301	5	1	DIBF	
O=C(c1ccc([N+](=O)[O-])cc1)c1coc2ccc(Cl)cc12	587278686	RCPDJANUWSUDMV-UHFFFAOYSA-N	301.685	4.225	5	1	DIBF	
CC(C)(C)C(=O)c1c(O)c2ccccc2c2ccccc2c1=O	1860740	XRMUZEOSJGVGAM-UHFFFAOYSA-N	306.361	4.288	5	1	DIBF	
C[C@H](c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	2043435	MOZUMFSUQQHSCO-MRVPVSSYSA-N	322.704	4.014	5	1	DIBF	in-vivo
C[C@@H]1CCc2sc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2C1	587034693	YEDQUGFPJFCPGB-SECBINFHSA-N	313.382	4.324	5	1	DIBF	
Cc1cc(C=O)c2c(=O)c3c(O)ccc(C=CC(C)C)c3oc2c1	2356468190	SYYAOFKGRFPPSI-UHFFFAOYSA-N	322.360	4.442	5	1	DIBF	
N[C@@H]1CC[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C1	587246924	KHNTXGSZYQWCKL-QWHCGFSZSA-N	301.393	4.464	5	1	DIBF	
CC1(C)[C@@H]2CC[C@@]1(C)[C@](C)(OC(=O)c1ccc([N+](=O)[O-])cc1)C2	238779314	UAHLNDMVGKJCST-FSPWUOQZSA-N	317.385	4.357	5	1	DIBF	
O=C(c1cc(Cl)ccc1[N+](=O)[O-])c1coc2ccccc12	587281011	ONPPIBOVLAINJU-UHFFFAOYSA-N	301.685	4.225	5	1	DIBF	
O=[N+]([O-])c1ccc(-c2csc3nc(-c4ccccc4)nn23)cc1	1649379	NPJHYMWQVRUNAQ-UHFFFAOYSA-N	322.349	4.033	5	1	DIBF	
C[C@@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(C)(C)C	64549583	FWSWBGCMLCFSRN-SNVBAGLBSA-N	313.376	4.062	5	1	DIBF	
Nc1cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c2ccccc2c1	587252179	SHFZPRJNDFSSAB-UHFFFAOYSA-N	322.299	4.013	5	1	DIBF	
O=[N+]([O-])c1ccc(-c2nss/c2=N\c2ccccc2)cc1	40981156	CJDSFBOMFXOQJY-PFONDFGASA-N	315.379	4.012	5	1	DIBF	
O=[N+]([O-])c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1	587150893	GAOBZRZUHMEKEG-QWRGUYRKSA-N	315.279	4.020	5	1	DIBF	
Oc1nc2cc3cccnc3c(Cl)c2nc1-c1ccccc1	73223511	FNVGGIYEZKFLGK-UHFFFAOYSA-N	307.740	4.204	5	1	DIBF	
Nc1ccc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cn1	587255007	UUABXKLQHFQDBL-UHFFFAOYSA-N	324.387	4.437	5	1	DIBF	
CCCc1[nH]c2cccc([N+](=O)[O-])c2c1NC(=O)OC(C)(C)C	587647498	ZQLZUUWNLFWYSY-UHFFFAOYSA-N	319.361	4.376	5	1	DIBF	
COc1ccc(Br)c2nc3cc(C)c(C)cc3nc12	72109900	LIGRRYJVNIHWRV-UHFFFAOYSA-N	317.186	4.171	5	1	DIBF	
O=[N+]([O-])c1ccc2c(-n3ccnc3)c(-c3cccc(F)c3)[nH]c2c1	587645399	ABNKQVYNTZSYLU-UHFFFAOYSA-N	322.299	4.068	5	1	DIBF	
O=C(C[C@H](C[N+](=O)[O-])c1ccccc1)c1cc2ccccc2o1	43014417	ZNHKGACMHGNUMH-OAHLLOKOSA-N	309.321	4.066	5	1	DIBF	
c1ccc2c(c1)cnn1c2nc2c3c4ccccc4nc-3c[nH]c21	100640704	SNVLQKUUEBVGFY-UHFFFAOYSA-N	309.332	4.017	5	1	DIBF	
Cc1ccc(/C=C\c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1F	587146350	JGUSYYBLXBDFAQ-PLNGDYQASA-N	315.279	4.228	5	1	DIBF	
Cc1ccc(Cc2cc3c4c(cccc4n2)CC3)c([N+](=O)[O-])c1	587210436	BQCNEKUSTWWEPC-UHFFFAOYSA-N	304.349	4.141	5	1	DIBF	
Cc1cccc(C)c1NC(=O)c1c(C)[nH]c2cc([N+](=O)[O-])ccc12	587647132	RGXLHEAZSHHNLJ-UHFFFAOYSA-N	323.352	4.254	5	1	DIBF	
Cn1c2ccccc2c2c(-c3ccccc3)[n+]3ccccc3nc21	5932671	APBQBWOZNORJMW-UHFFFAOYSA-N	310.380	4.132	5	1	DIBF	
Cc1cccc2c1oc(=O)c1cc3c(nc12)-c1ccccc1CC3	103272123	YIPZRMFCWJMRCW-UHFFFAOYSA-N	313.356	4.415	5	1	DIBF	
Cc1ccccc1-c1nc2cc(C(=O)O)ccc2c2cnccc12	73223988	SKUPJKXYVJOPDL-UHFFFAOYSA-N	314.344	4.457	5	1	DIBF	
CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N@+]2(C)C(C)C	254132356	NCCCVLZKNQKUCJ-XGPVDZAGSA-N	310.502	4.294	5	1	DIBF	
Cc1cc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2cc1Cl	587260674	ABEXTGZMZGHSMH-UHFFFAOYSA-N	301.733	4.408	5	1	DIBF	
Cc1oc(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1[N+](=O)[O-]	587269140	QTUIHHGOMCXCCF-UHFFFAOYSA-N	311.219	4.058	5	1	DIBF	
CCCOc1ccc(OC)c2c(=O)c3ccccc3sc12	1857747476	AGGYSOISUOGZGB-UHFFFAOYSA-N	300.379	4.212	5	1	DIBF	
CN1c2c(ccc3ccccc23)-c2ccccc2[C@H]1C[N+](=O)[O-]	1857647390	PLFNOZPDADHOIF-GOSISDBHSA-N	304.349	4.274	5	1	DIBF	
Cn1c2ccccc2c2c3c(cccc31)c1ccc(N)cc1[n+]2C	29134813	WCJTXRKEJPSHKQ-UHFFFAOYSA-O	312.396	4.045	5	1	DIBF	
Cc1ccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(F)c1	587146432	LULRBVSMMQZMSG-UHFFFAOYSA-N	305.696	4.239	5	1	DIBF	
O=[N+]([O-])c1ccccc1CN1[CH]C=CC(Cc2ccccc2)=C1	2356855618	BMZSUPZILUBBHV-UHFFFAOYSA-N	305.357	4.255	5	1	DIBF	
O=[N+]([O-])c1ccc(/N=c2/ssnc2Cl)c2ccccc12	100475576	FZQITWFDVUPISP-WYMLVPIESA-N	323.786	4.152	5	1	DIBF	
C[C@@H]1CCc2sc(-c3nc4c([N+](=O)[O-])cccc4[nH]3)cc2C1	587033187	GVXHSTYSVIHSFM-SECBINFHSA-N	313.382	4.324	5	1	DIBF	
Cc1ccc(F)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1F	587280113	JOPGBCAWIFATFI-UHFFFAOYSA-N	317.247	4.159	5	1	DIBF	
Cc1[nH]c2cccc(F)c2c1-c1c([N+](=O)[O-])ccc(F)c1F	587634601	LTODOPYHFLGBHL-UHFFFAOYSA-N	306.243	4.469	5	1	DIBF	
COc1c(-c2ccc(F)c(F)c2)[nH]c2cccc([N+](=O)[O-])c12	587645859	MOLOIXHVQHIZHQ-UHFFFAOYSA-N	304.252	4.030	5	1	DIBF	
Cc1ccc2c3c1sc1ccccc1c3nn2CCN(C)C	26826009	DXQOCVNILLZYJE-UHFFFAOYSA-N	309.438	4.274	5	1	DIBF	
O=[N+]([O-])c1c(Nc2cc(F)cc(Cl)c2)ccc2[nH]cnc12	95594800	VOFJNTYGTJWUNG-UHFFFAOYSA-N	306.684	4.007	5	1	DIBF	
O=[N+]([O-])c1ccc2[nH]cc(-c3cc4c5c(cccc5n3)CC4)c2c1	587211915	YTFOOMNWRGHJGX-UHFFFAOYSA-N	315.332	4.390	5	1	DIBF	
Cc1cc2[nH]c(-c3cc(N)cc4ccccc34)nc2cc1[N+](=O)[O-]	587252302	VYCMACGAEJYRRO-UHFFFAOYSA-N	318.336	4.182	5	1	DIBF	
C[C@@H](c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	33615698	MOZUMFSUQQHSCO-QMMMGPOBSA-N	322.704	4.014	5	1	DIBF	in-vitro
O=c1c2ccccc2n(CCc2ccccc2)c2cccc(O)c12	64560543	HTRZLMRENSALKP-UHFFFAOYSA-N	315.372	4.103	5	1	DIBF	
Cc1ccc(Sc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	1622819	MOZORIAOSRTCOV-UHFFFAOYSA-N	304.327	4.271	5	1	DIBF	
O=[N+]([O-])c1cc2nc(-c3coc4cc(F)ccc34)[nH]c2cc1F	587174229	HFEPHQDPWKGEMR-UHFFFAOYSA-N	315.235	4.163	5	1	DIBF	
C[C@@H](COC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1	40423347	PWDZLVYKVMISIZ-LBPRGKRZSA-N	316.382	4.112	5	1	DIBF	
Oc1nc2cc3cccnc3c(Cl)c2nc1-c1cccs1	653758696	RTYVMPFKWQEGRQ-UHFFFAOYSA-N	313.769	4.266	5	1	DIBF	
O=C(c1coc2cc([N+](=O)[O-])ccc12)C1(c2ccccc2)CC1	587278929	BCPGUXJJZDOHBE-UHFFFAOYSA-N	307.305	4.256	5	1	DIBF	
COc1cccc(Cn2c3ccccc3c(=O)c3ccccc32)c1	40845664	CJNVUMOHFIPJHE-UHFFFAOYSA-N	315.372	4.212	5	1	DIBF	
COc1ccc(-c2oc3c(ccc4ccccc43)c(=O)c2O)cc1	96283615	TUWQHMLBARIQFR-UHFFFAOYSA-N	318.328	4.327	5	1	DIBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1Oc1ccccc1[N+](=O)[O-]	587647436	IHIJLJREHDVTST-UHFFFAOYSA-N	313.269	4.085	5	1	DIBF	
CN(C(=N)Nc1cccc([N+](=O)[O-])c1)c1cccc2ccccc12	13733839	RFZLVCWWOQTVNH-UHFFFAOYSA-N	320.352	4.231	5	1	DIBF	
O=Cc1c[nH]c2c1ccc1c3cccc(Br)c3[nH]c12	64475274	CMILZUZLXJQSGJ-UHFFFAOYSA-N	313.154	4.377	5	1	DIBF	
C[C@@H](SCc1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1	586962057	NZHSUFQWXRXPHH-LLVKDONJSA-N	313.382	4.466	5	1	DIBF	
O=C(Oc1cccc2oc(C3CC3)cc12)c1ccc([N+](=O)[O-])cc1	96922092	GJBNXJXEJAOASR-UHFFFAOYSA-N	323.304	4.438	5	1	DIBF	
O=[N+]([O-])c1cnc2[nH]c(-c3cccc(-c4ccsc4)c3)nc2c1	587027626	XZIWTOHUVLNSFP-UHFFFAOYSA-N	322.349	4.262	5	1	DIBF	
O=[N+]([O-])c1cccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12	587966571	JAFDGWBNFDIFOV-UHFFFAOYSA-N	309.369	4.311	5	1	DIBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12	587024224	ZINJQROKNCZZOU-UHFFFAOYSA-N	322.349	4.262	5	1	DIBF	
NCCCCCNc1nc2ccccc2c2[nH]c3ccccc3c12	169309439	LQTYMQYCYSYQGP-UHFFFAOYSA-N	318.424	4.410	5	1	DIBF	
C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[N+](=O)[O-]	261177861	VHIMUDDHWXRBRO-DHKQUUGRSA-N	321.461	4.035	5	1	DIBF	
O=C(c1ccc(Cl)cc1F)c1coc2cc([N+](=O)[O-])ccc12	587280297	ROPIWVDNYZAUFK-UHFFFAOYSA-N	319.675	4.365	5	1	DIBF	
Cc1cc2c(cc1C)Nc1c(c(=O)oc3ccc([N+](=O)[O-])cc13)N2	101392547	AGJIZWYXQHOTNN-UHFFFAOYSA-N	323.308	4.119	5	1	DIBF	
O=c1oc(OCCC2CCCCC2)cc2ccc([N+](=O)[O-])cc12	40430313	VOHGQJPJPJECRZ-UHFFFAOYSA-N	317.341	4.050	5	1	DIBF	
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([N+](=O)[O-])CC[C@H]12	96175837	VHIMUDDHWXRBRO-DMPCJOICSA-N	321.461	4.035	5	1	DIBF	
CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C(C)C	100372367	NCCCVLZKNQKUCJ-GKUGNITKSA-N	310.502	4.294	5	1	DIBF	in-man
Cc1cc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2cc1[N+](=O)[O-]	586893733	YIROGIDYDGEBJI-RSLFNQERSA-N	311.385	4.247	5	1	DIBF	
CCOC(=O)Nc1ccc2cc3ccccc3nc2c1COC	40556751	WAHLAVJBEOAHSW-UHFFFAOYSA-N	310.353	4.103	5	1	DIBF	
Cc1oc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc1[N+](=O)[O-]	587268828	LLLCPBFJKYPGMT-UHFFFAOYSA-N	312.112	4.346	5	1	DIBF	
O=C(Nc1ccc2nc3ccccc3nc2c1)C1CCCCC1	96935025	VFDMEYYLSYLAMN-UHFFFAOYSA-N	305.381	4.302	5	1	DIBF	
C[C@@H](SCc1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1	586961896	MPFFBWJOCZESLF-LLVKDONJSA-N	313.382	4.466	5	1	DIBF	
O=[N+]([O-])c1cnn(-c2c(-c3ccccc3)[nH]c3cc(F)ccc23)c1	587636390	ZPGOWUXMXJNWGK-UHFFFAOYSA-N	322.299	4.068	5	1	DIBF	
Cc1c(-c2cc(F)c(F)cc2F)[nH]c2cccc([N+](=O)[O-])c12	587645757	CQVSOTMFIWEKSS-UHFFFAOYSA-N	306.243	4.469	5	1	DIBF	
O=[N+]([O-])c1ccc(C[C]2C=CN(Cc3ccccc3)C=C2)cc1	2356821052	VVXFXZYVHKOHJJ-UHFFFAOYSA-N	305.357	4.255	5	1	DIBF	
CC[C@H](Oc1ccccc1F)c1nc2cccc([N+](=O)[O-])c2[nH]1	587156297	SZANTJJAZAROKK-ZDUSSCGKSA-N	315.304	4.140	5	1	DIBF	
O=[N+]([O-])c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1	587150892	GAOBZRZUHMEKEG-MNOVXSKESA-N	315.279	4.020	5	1	DIBF	
O=[N+]([O-])c1ccc2c(-c3cnccn3)c(-c3ccccc3)[nH]c2c1	587649761	ZIMBRJXFFSORPB-UHFFFAOYSA-N	316.320	4.200	5	1	DIBF	
COc1ccc(-c2c(-c3ccc([N+](=O)[O-])cc3)noc2C)cc1	1857599347	FJDFHWJSDVFRJU-UHFFFAOYSA-N	310.309	4.234	5	1	DIBF	
Cc1cccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12	587270486	ZPLIOMUSQSPNAR-UHFFFAOYSA-N	322.368	4.047	5	1	DIBF	
O=[N+]([O-])Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccccc1	587631792	UNJGBNNRHDFNLH-UHFFFAOYSA-N	304.708	4.404	5	1	DIBF	
O=[N+]([O-])c1ccc(OCCNc2cccc3ccccc23)cc1	1625762	DGOFMLHQPNAXET-UHFFFAOYSA-N	308.337	4.239	5	1	DIBF	
CCc1cc2c3nc4c([N+](=O)[O-])cccc4c-3ccn2nc1CC	377810340	MTZANPDFCOLZTE-UHFFFAOYSA-N	320.352	4.020	5	1	DIBF	
COc1cc(Cl)ccc1C(=S)Nc1cccc([N+](=O)[O-])c1	84730874	STXCUZXVRXSXEN-UHFFFAOYSA-N	322.773	4.044	5	1	DIBF	
COc1c2c(cc3c(=O)c4cc(C)ccc4oc13)OC(C)(C)C=C2	96928332	WLTAGTXVKHCYNR-UHFFFAOYSA-N	322.360	4.447	5	1	DIBF	
O=C(Cc1cccs1)Nc1ccc2nc3ccccc3nc2c1	96932241	CIOBQIKEMJJVTI-UHFFFAOYSA-N	319.389	4.026	5	1	DIBF	
O=[N+]([O-])c1cccc2c(Sc3ccccc3F)cc(O)nc12	299871236	YDCOGTKKSXCGHX-UHFFFAOYSA-N	316.313	4.139	5	1	DIBF	
O=[N+]([O-])c1cccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c12	587112399	JIHXMHDJAYUJHI-UHFFFAOYSA-N	307.231	4.157	5	1	DIBF	
Cc1ccc2c(ccc3nc(-c4cccc([N+](=O)[O-])c4C)[nH]c32)n1	587261132	VPZDNHWPQJYHIW-UHFFFAOYSA-N	318.336	4.303	5	1	DIBF	
Cc1cccc(Cn2c3cccc4cccc(c43)n3cnnc23)c1	1772656100	AAQBPDLCGOOWDY-UHFFFAOYSA-N	312.376	4.194	5	1	DIBF	
O=C(O)c1nc2ccsc2c2[nH]c3c(Cl)cccc3c12	473107678	JVOJITSSVWIBHZ-UHFFFAOYSA-N	302.742	4.282	5	1	DIBF	
O=C(O)c1ccc2c(c1)nc(-c1ccccc1)c1ccncc12	59222933	GHMUXMTYJAQMHJ-UHFFFAOYSA-N	300.317	4.148	5	1	DIBF	
O=[N+]([O-])c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1	587150887	GAOBZRZUHMEKEG-GHMZBOCLSA-N	315.279	4.020	5	1	DIBF	
Cc1cc2[nH]c(CCc3ccccc3Cl)nc2cc1[N+](=O)[O-]	587059397	RNDLJWJHBLFJEA-UHFFFAOYSA-N	315.760	4.218	5	1	DIBF	
O=C(Oc1cc(O)nc2c1ccc1ccccc12)c1ccccc1	1772643878	FIPDMPBXWDQPOB-UHFFFAOYSA-N	315.328	4.313	5	1	DIBF	
C[C@@H](O)c1ccc(Nc2cc(F)cc(Cl)c2)c([N+](=O)[O-])c1	1857749372	KEGPGVWLDOKQLF-MRVPVSSYSA-N	310.712	4.184	5	1	DIBF	
C[C@@]1(C(=O)c2coc3cc([N+](=O)[O-])ccc23)CC1(Cl)Cl	587280127	KJPZIENXDKQMJW-LBPRGKRZSA-N	314.124	4.108	5	1	DIBF	
c1ccc2c(c1)nc(NC[C@@H]1CCCO1)c1c3ccccc3[nH]c21	169309448	RONBXELJMWJNNL-ZDUSSCGKSA-N	317.392	4.460	5	1	DIBF	
CCc1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1CC	586880374	YAXFDOQFLLKROK-UHFFFAOYSA-N	313.332	4.402	5	1	DIBF	
O=[N+]([O-])Cc1[nH]c2cc(Cl)c(F)cc2c1-c1ccccc1	587631850	XFJYYBBCGKSURB-UHFFFAOYSA-N	304.708	4.404	5	1	DIBF	
CC(C)(C)C(=O)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12	587644865	FFLOWXMBORROHA-UHFFFAOYSA-N	314.263	4.324	5	1	DIBF	
CCc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2c(C(=O)O)cccc12	587638735	UMVCINSEXFDEQB-UHFFFAOYSA-N	310.309	4.004	5	1	DIBF	
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cccc2ccc(O)cc12	71341375	DLVDOCMHOHXYPN-UHFFFAOYSA-N	323.308	4.098	5	1	DIBF	
COc1ccc2c(c1)[C@@]1(C)CCCCC[C@@H](C2)[C@@H]1[N+](C)(C)[O-]	147574865	RCJKSZGWWRFXBJ-ZYSHUDEJSA-N	303.446	4.032	5	1	DIBF	
O=[N+]([O-])c1cccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12	587085871	LQLGQYXHQYLCFO-UHFFFAOYSA-N	324.727	4.340	5	1	DIBF	
CC(C)c1ccc2oc(-c3cccc([N+](=O)[O-])c3)cc(=O)c2c1	58591582	MFYIBMQUWJAVSL-UHFFFAOYSA-N	309.321	4.492	5	1	DIBF	
COc1ccc2nc3c(C)c4ccn(C)c(N(C)C)c4cc3c2c1	377364999	KUCAFDQWCMGRJW-UHFFFAOYSA-N	319.408	4.263	5	1	DIBF	
O=[N+]([O-])c1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1F	586882740	ASROMYINZNBFEV-YBIKONCISA-N	315.348	4.078	5	1	DIBF	
Cc1cc2[nH]c(CNc3ccccc3Cl)nc2cc1[N+](=O)[O-]	587061361	FFAUCBNQLFFHQB-UHFFFAOYSA-N	316.748	4.045	5	1	DIBF	
CCC[N@+]1(C)CC[C@H]2[C@H](C1)c1ccccc1N2Cc1ccccc1	253861227	AMAJGIBXVZDQBW-JCTONOIOSA-N	321.488	4.419	5	1	DIBF	
O=C(c1nc2ccccc2s1)c1coc2cc([N+](=O)[O-])ccc12	587280668	QPOJXDCDRMHRTM-UHFFFAOYSA-N	324.317	4.182	5	1	DIBF	
Cc1nn(-c2c(C)[nH]c3c(C)cc(Cl)cc23)c(C)c1[N+](=O)[O-]	587627289	RRIIIFDLWBTXSR-UHFFFAOYSA-N	318.764	4.149	5	1	DIBF	
O=[N+]([O-])c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1	587106443	CBUULATWCNXPFU-UHFFFAOYSA-N	321.258	4.081	5	1	DIBF	
CSCC(C)(C)c1nc2c3cccnc3c3ncccc3c2[nH]1	586969297	PVGSPILWNISISQ-UHFFFAOYSA-N	322.437	4.300	5	1	DIBF	
O=[N+]([O-])c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1	586906607	DLQRCHJFXDNZQJ-UHFFFAOYSA-N	307.309	4.003	5	1	DIBF	
Cc1cccc(-c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)n1	587645375	SNALYZWSSSUBST-UHFFFAOYSA-N	321.258	4.465	5	1	DIBF	
CC(C)c1[nH]c2cccc([N+](=O)[O-])c2c1Cc1cccc(N)c1	587647943	UXMVPOHPEBQVRC-UHFFFAOYSA-N	309.369	4.373	5	1	DIBF	
O=C(c1c(-c2ccco2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F	587644823	CIPIXQBUXUBIGB-UHFFFAOYSA-N	324.214	4.081	5	1	DIBF	
CC(C)c1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O	45349349	WWIQGLCYZLTJDC-UHFFFAOYSA-N	315.329	4.068	5	1	DIBF	
COc1ccc2c(c1)c(C)c1c3c(cc4c(c32)OCO4)CCN1C	45497916	GKBYFOJYLKBHQN-UHFFFAOYSA-N	321.376	4.031	5	1	DIBF	
CCCCNc1c([N+](=O)[O-])ccc2c1NC1(CCCCC1)[N+]2=O	139604545	BKJYLTLMOQLNCA-UHFFFAOYSA-N	319.385	4.303	5	1	DIBF	
Cc1cc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2cc1[N+](=O)[O-]	586893731	YIROGIDYDGEBJI-PAKFGRKTSA-N	311.385	4.247	5	1	DIBF	
CCOc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	1857758749	ASIMNOKTKURXCN-ZZXKWVIFSA-N	314.297	4.072	5	1	DIBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1nc(-c2ccccc2)no1	587649713	XUDXPWJRJASTPV-UHFFFAOYSA-N	320.308	4.102	5	1	DIBF	
Cc1cc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1[N+](=O)[O-]	586893719	YIROGIDYDGEBJI-JWXAPSBJSA-N	311.385	4.247	5	1	DIBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(O)c12	587646601	WYNQYBFQSBZCHQ-UHFFFAOYSA-N	322.242	4.468	5	1	DIBF	
C[C@@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)N(C)C	587192114	RGWXNXCXGGCHKV-ZDUSSCGKSA-N	303.409	4.362	5	1	DIBF	
O=[N+]([O-])c1cccc2c(Oc3ccccc3Cl)cc(O)nc12	299866663	PHZNFNVRHCPKAS-UHFFFAOYSA-N	316.700	4.294	5	1	DIBF	
Cc1cc2[nH]c(CCc3cc4ccccc4o3)nc2cc1[N+](=O)[O-]	586907220	KRAFDRLYHOQHHU-UHFFFAOYSA-N	321.336	4.311	5	1	DIBF	
CCOC(=O)c1c2[nH]c3ccccc3c2cc2nc(C)sc12	29465864	QBVAMLCQOFXQMF-UHFFFAOYSA-N	310.378	4.416	5	1	DIBF	
O=C(Cc1ccc(F)cc1F)c1coc2cc([N+](=O)[O-])ccc12	587280241	PJNGFECRCBRMCD-UHFFFAOYSA-N	317.247	4.045	5	1	DIBF	
O=[N+]([O-])c1cc2nc(/C=C/c3ccsc3)[nH]c2cc1Cl	587025312	HZSGEMKLOIRSTF-OWOJBTEDSA-N	305.746	4.356	5	1	DIBF	
O=[N+]([O-])c1cncc2nc(/C=C/c3cccc4ccccc34)[nH]c12	587967291	GMHCZWGMMGZZGV-CMDGGOBGSA-N	316.320	4.190	5	1	DIBF	
Nc1ncccc1Cc1nc2c3ccccc3c3ccccc3c2[nH]1	587254779	ZEMBHVHZJRALAJ-UHFFFAOYSA-N	324.387	4.437	5	1	DIBF	
O=C(CCc1cccs1)c1coc2cc([N+](=O)[O-])ccc12	587280110	JLMRNTZMLLJBIO-UHFFFAOYSA-N	301.323	4.218	5	1	DIBF	
O=[N+]([O-])c1cccc(C2=CC3(CCCC3)Oc3cc(O)ccc32)c1	36473217	GUMSUGFGYYPDBC-UHFFFAOYSA-N	323.348	4.437	5	1	DIBF	
O=[N+]([O-])c1cc(/C=C\c2nc3ccc(F)cc3[nH]2)ccc1Cl	587047350	HDGZUNGNYJUHMQ-KXFIGUGUSA-N	317.707	4.434	5	1	DIBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1Oc1ccc(F)c(F)c1	587645755	JLBDRXOBUDZSBW-UHFFFAOYSA-N	304.252	4.455	5	1	DIBF	
O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@H]3NCc1ccccc1	40974834	ZBKRFVVVGSFJGF-GOSISDBHSA-N	321.380	4.243	5	1	DIBF	
COc1cc2c(cc1OC)C1=CC[C@@H](c3ccccc3)[N@@+]1(C)CC2	261511748	LLOUHYSVZWUGFZ-PGRDOPGGSA-N	322.428	4.192	5	1	DIBF	
O=[N+]([O-])c1ccc(-c2cccnc2)c(OCc2ccccc2)c1	299867706	YLRVMCQQJPRAJA-UHFFFAOYSA-N	306.321	4.236	5	1	DIBF	
O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(Cl)cc3)C2)cc1	98084175	IOGBNQKSLUTCRY-HNNXBMFYSA-N	302.717	4.114	5	1	DIBF	
CCC(=O)Nc1ccc2cc3ccc(NC(=O)CC)cc3nc2c1	28712636	QCOWANICYFQTSJ-UHFFFAOYSA-N	321.380	4.085	5	1	DIBF	
O=[N+]([O-])c1cccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c12	587088006	RGKXSHWIZWGAPV-UHFFFAOYSA-N	312.716	4.273	5	1	DIBF	
C[C@@H]1CCC[N+]1(C)COC(=O)[C@@H](c1ccccc1)C1CCCC1	40498396	KIAOCNYSSUIRRX-NTEFNCDNSA-N	316.465	4.090	5	1	DIBF	
O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1F	587161910	SVHPNNUQSHPVKE-WDEREUQCSA-N	315.279	4.020	5	1	DIBF	
Cc1cccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1	13141300	NFJYPUMSQRSEDO-UHFFFAOYSA-N	312.354	4.165	5	1	DIBF	
COc1cc2c(cc1OC)C1=CC[C@H](c3ccccc3)[N+]1(C)CC2	1650388	LLOUHYSVZWUGFZ-ZZWBGTBQSA-N	322.428	4.192	5	1	DIBF	
CC[C@]1(C)C[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586887388	GNSZDXSUQUMZCN-FUXBKTLASA-N	324.178	4.137	5	1	DIBF	
O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(O)ccc3[nH]2)o1	587265577	QCBNREWUUIDBLJ-UHFFFAOYSA-N	321.292	4.104	5	1	DIBF	
CCCC/C=C/c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587965417	LVTRVAFQALXSNP-AATRIKPKSA-N	324.178	4.437	5	1	DIBF	
CN(C/C=C/c1ccc([N+](=O)[O-])cc1)Cc1coc2ccccc12	1772635840	YZSFVKFCJKTWFN-SNAWJCMRSA-N	322.364	4.486	5	1	DIBF	
O=[N+]([O-])c1ccc2sc3c(Nc4ccccc4)ncnc3c2c1	3815255	NOBQECCESYXWPW-UHFFFAOYSA-N	322.349	4.496	5	1	DIBF	
CC/C(=C\c1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccc(C)cc1	587965520	AVNTTXSVRIGJTA-XYOKQWHBSA-N	308.341	4.125	5	1	DIBF	
Cc1ccc(Cl)cc1Nc1ncnc2ccc([N+](=O)[O-])cc12	653695799	LEGJUBZBFAPHOB-UHFFFAOYSA-N	314.732	4.243	5	1	DIBF	
Cc1ccc2oc(=S)n(Cc3cccc([N+](=O)[O-])c3)c2c1	1772641086	TXOZBIJTUSAPID-UHFFFAOYSA-N	300.339	4.229	5	1	DIBF	
CC[C@@H](O)CNCc1ccc2ccc3cccc4ccc1c2c34	26404786	FNGQUPXHNZLQKO-GOSISDBHSA-N	303.405	4.445	5	1	DIBF	
Cc1c2ccn(CC(=O)O)cc2c(C)c2c1nc1ccccc12	377819914	AZFRSCAAYGXARI-UHFFFAOYSA-N	304.349	4.044	5	1	DIBF	
CN1CCCC[C@@H]1CCn1c2ccccc2c(=O)c2ccccc21	474609811	VNZCKAIMSPTFPN-MRXNPFEDSA-N	320.436	4.029	5	1	DIBF	
CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccc2ccoc12	653882188	ZMLSDCCMQJNABD-WEVVVXLNSA-N	322.364	4.486	5	1	DIBF	
COc1c(-c2ccc(F)c(F)c2)[nH]c2cc([N+](=O)[O-])ccc12	587646018	QJMQXMPNRMMFAG-UHFFFAOYSA-N	304.252	4.030	5	1	DIBF	
O=C(O)c1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(Cl)cc1	587644780	NMYCCPFCKHHSOS-UHFFFAOYSA-N	316.700	4.095	5	1	DIBF	
CCc1cc(O)c(Oc2ccc([N+](=O)[O-])cc2Cl)cc1F	221482649	RGNGXGXBSAFDJR-UHFFFAOYSA-N	311.696	4.448	5	1	DIBF	in-vitro
O=[N+]([O-])c1ccc([C@@H](c2ccc(Cl)cc2)n2ccnc2)cc1	28231818	YUEPJPBMYRISMM-MRXNPFEDSA-N	313.744	4.082	5	1	DIBF	
C[C@@H]1CCC[N@+]1(C)COC(=O)[C@H](c1ccccc1)C1CCCC1	253637832	KIAOCNYSSUIRRX-OZOXKJRCSA-N	316.465	4.090	5	1	DIBF	
CN(C)CCNc1c2ccccc2nc2c1oc1ccccc12	13675788	PTQCJFGINSCSSB-UHFFFAOYSA-N	305.381	4.108	5	1	DIBF	
COc1cc2c(cc1OC)C1=CC[C@@H](c3ccccc3)[N@+]1(C)CC2	261511747	LLOUHYSVZWUGFZ-AVRDEDQJSA-N	322.428	4.192	5	1	DIBF	
CC(C)Cc1c2[nH]c3ccccc3nc-2c2c(c1=O)CCCC2	102001809	HFDAYAWHGMHFPY-UHFFFAOYSA-N	306.409	4.105	5	1	DIBF	
O=[N+]([O-])c1ccc2c(-c3ccncn3)c(-c3ccccc3)[nH]c2c1	587649130	QRUDMGAZWNQNSH-UHFFFAOYSA-N	316.320	4.200	5	1	DIBF	
COc1cc2c(cc1Oc1ccccc1)[C@@H]1CCC[N@+]1(C)CC2	1772572070	KQCFFJJPKZZWLE-GHTZIAJQSA-N	310.417	4.325	5	1	DIBF	
Cc1c(Cl)ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c12	587160469	SYHMVVMWCHMKJM-UHFFFAOYSA-N	305.696	4.239	5	1	DIBF	
Nc1ccccc1Nc1ccc2c(=O)c3cnccc3ccc2c1	40404801	CHXJZJOYDIINKS-UHFFFAOYSA-N	313.360	4.074	5	1	DIBF	
O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2[N+](=O)[O-])cc1	299820263	GACFNYCEDMVCTH-UHFFFAOYSA-N	310.718	4.308	5	1	DIBF	
CCc1[nH]c2c([N+](=O)[O-])cc3cn[nH]c3c2c1-c1ccccc1	96258221	IEFSYAIPOMVBKO-UHFFFAOYSA-N	306.325	4.182	5	1	DIBF	
Fc1ccc2c(c1)-c1nc3cnc4ccccc4c3cc1CO2	1857768140	ZFXSMXKLNPFSAS-UHFFFAOYSA-N	302.308	4.482	5	1	DIBF	
O=C(c1cc2c(s1)CCC2)c1coc2cc([N+](=O)[O-])ccc12	587280579	KIXVSWNCAJEYAR-UHFFFAOYSA-N	313.334	4.122	5	1	DIBF	
Cc1ccc2oc(=O)c3cc4c(nc3c2c1)-c1ccccc1CC4	103294502	XLBKODSFFBSRDK-UHFFFAOYSA-N	313.356	4.415	5	1	DIBF	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3cccc(F)c3[nH]2)c1F	587138889	AKQCVJABCQZGMH-UHFFFAOYSA-N	309.659	4.070	5	1	DIBF	
COc1ccc2c(c1)nc(-c1ccc([N+](=O)[O-])cc1)c1[nH]ccc12	1857760350	LKJNWAALAGVRFU-UHFFFAOYSA-N	319.320	4.300	5	1	DIBF	
CCc1ccc(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)cc1	587646497	CPFGEUVPJHVWMG-UHFFFAOYSA-N	323.352	4.199	5	1	DIBF	
CCN(C)CCc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2ccccc12	26646204	NPNPXVGDECLLAT-UHFFFAOYSA-N	323.396	4.237	5	1	DIBF	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)c1coc2ccccc12	587281077	SXPIZFIGHGFDLZ-UHFFFAOYSA-N	301.685	4.225	5	1	DIBF	
CN(C)C(=O)c1cc(-c2cc3ccccc3c3ccccc23)no1	84616117	MLMCMXBNBBQPMR-UHFFFAOYSA-N	316.360	4.350	5	1	DIBF	
O=[N+]([O-])c1cccc(C2=NN[C@H](c3ccc4ccccc4c3)C2)c1	96932537	TXJPFMBVJALRIY-IBGZPJMESA-N	317.348	4.187	5	1	DIBF	
CCN(CC)CC(=O)Nc1c2ccccc2cc2ccccc12	169331171	ULXUKDQLIZUOEF-UHFFFAOYSA-N	306.409	4.273	5	1	DIBF	
O=[N+]([O-])c1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2c1	587031497	HYMKJCCNVAFACC-UHFFFAOYSA-N	311.322	4.058	5	1	DIBF	
O=C(Oc1cccc2nc3ccccc3nc12)c1ccccc1	14651264	MPSUMOCGVNEKKU-UHFFFAOYSA-N	300.317	4.002	5	1	DIBF	biogenic
O=[N+]([O-])c1cc2nc(CSCc3ccsc3)[nH]c2cc1F	587025257	GEYMACFGULIPCF-UHFFFAOYSA-N	323.374	4.105	5	1	DIBF	
O=[N+]([O-])c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1	587085569	UVKDONZZZIJAQA-UHFFFAOYSA-N	324.727	4.340	5	1	DIBF	
Cc1cc2[nH]c(-c3sc(C4CC4)nc3C)nc2cc1[N+](=O)[O-]	587012203	PLVCJXYEFBZRAN-UHFFFAOYSA-N	314.370	4.089	5	1	DIBF	
COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2O)cc1Cl	587645077	UNKFFBNXACQUSI-UHFFFAOYSA-N	318.716	4.111	5	1	DIBF	
C[C@@H]1CCC[N@@+]1(C)COC(=O)[C@@H](c1ccccc1)C1CCCC1	253637835	KIAOCNYSSUIRRX-PBEJRMEISA-N	316.465	4.090	5	1	DIBF	
Cc1cccc(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c1C	587647135	RNEGUCHUMWIATE-UHFFFAOYSA-N	323.352	4.254	5	1	DIBF	
O=Nc1c(-c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)[nH]c2ccccc12	28334130	GIMRHZPQMMMJKH-UHFFFAOYSA-N	322.280	4.328	5	1	DIBF	
CC[C@]1(C)C[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586886515	CIAPCCHXMRICHY-AMIZOPFISA-N	324.178	4.137	5	1	DIBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1Cc1ccc(F)c(F)c1	587645831	LGRPQGWWSHMRSG-UHFFFAOYSA-N	302.280	4.254	5	1	DIBF	
Cc1c(F)cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1F	587133235	PYQMEWJKPKHXMJ-UHFFFAOYSA-N	323.686	4.378	5	1	DIBF	
Cc1c(-c2cc(F)c(F)c(F)c2)[nH]c2cc([N+](=O)[O-])ccc12	587645702	BKDRGNRLVILIHB-UHFFFAOYSA-N	306.243	4.469	5	1	DIBF	
O=[N+]([O-])c1cc2[nH]c(-c3ccc(Cl)cc3)nc2cc1Cl	587068449	APNBRIZEOLPZJT-UHFFFAOYSA-N	308.124	4.445	5	1	DIBF	
CC1(C)[C@@H]2CC[C@]1(C)[C@@](C)(OC(=O)c1ccc([N+](=O)[O-])cc1)C2	2356856376	UAHLNDMVGKJCST-BVGQSLNGSA-N	317.385	4.357	5	1	DIBF	
O=C(C[C@@H](C[N+](=O)[O-])c1ccccc1)c1cc2ccccc2o1	43014413	ZNHKGACMHGNUMH-HNNXBMFYSA-N	309.321	4.066	5	1	DIBF	
O=[N+]([O-])c1ccccc1O[C@H](CCn1ccnc1)c1ccccc1	45347553	QCRCOPVUFQZTPY-QGZVFWFLSA-N	323.352	4.002	5	1	DIBF	
O=[N+]([O-])c1ccccc1CCc1cc2c3c(cccc3n1)CC2	587211059	KSLRTOFSZMRADH-UHFFFAOYSA-N	304.349	4.027	5	1	DIBF	
COc1cc(CC[N+](C)(C)C)c2ccc3ccccc3c2c1OC	13374020	XKMDPNHRXAATKI-UHFFFAOYSA-N	324.444	4.259	5	1	DIBF	
COc1c2c(cc3c(=O)c4ccccc4oc13)OC(C)(C)C=C2	96932844	YNALSCCSNBOXHB-UHFFFAOYSA-N	308.333	4.139	5	1	DIBF	
CCOc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1	1632155	IFAMKPFIDGCDCV-UHFFFAOYSA-O	305.401	4.314	5	1	DIBF	
O=[N+]([O-])c1ccc(NNc2ccnc3cc(Cl)ccc23)cc1	4419286	MOBZTQHHLZEMJU-UHFFFAOYSA-N	314.732	4.235	5	1	DIBF	
CCN(CC)CCCNc1cc(=O)c2ccc3ccccc3c2o1	136183513	DEZVVNMVGCIMQN-UHFFFAOYSA-N	324.424	4.090	5	1	DIBF	
O=C(c1c[nH]c2ccccc12)c1coc2cc([N+](=O)[O-])ccc12	587279944	VMTOEWZVNFVDQI-UHFFFAOYSA-N	306.277	4.053	5	1	DIBF	
Cc1ccc(C(=O)Nc2ccc3ccc4cccnc4c3n2)cc1	5140023	ACGVQWOCJHCOIS-UHFFFAOYSA-N	313.360	4.344	5	1	DIBF	
O=C(c1cccs1)c1c(C(F)F)[nH]c2cccc([N+](=O)[O-])c12	587645733	CDUMBMZVTAOQLT-UHFFFAOYSA-N	322.292	4.306	5	1	DIBF	
COc1cc2c(cc1Oc1ccccc1)CC[N@@+]1(C)CCC[C@@H]21	1772605376	AQNYKOQKEAPUGW-GHTZIAJQSA-N	310.417	4.325	5	1	DIBF	
O=[N+]([O-])c1ccc(O[C@H](CCn2ccnc2)c2ccccc2)cc1	28393519	MWCAASWKRSZOFR-GOSISDBHSA-N	323.352	4.002	5	1	DIBF	
COc1ccc(-c2ccc3sc4ccccc4c(=O)c3c2)cn1	12476967	JXUZYKRZIWVVQH-UHFFFAOYSA-N	319.385	4.485	5	3	DIBF	
O=[N+]([O-])c1cc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1F	587161909	SVHPNNUQSHPVKE-QWRGUYRKSA-N	315.279	4.020	5	1	DIBF	
O=[N+]([O-])c1cc(Cl)ccc1Cc1cc2c3c(cccc3n1)CC2	587209456	PURVKBVYSSCHFT-UHFFFAOYSA-N	324.767	4.486	5	1	DIBF	
O=C(c1ccc(F)c([N+](=O)[O-])c1)c1coc2ccc(Cl)cc12	587279111	WHAQTCURJJVBNG-UHFFFAOYSA-N	319.675	4.365	5	1	DIBF	
COc1cc2cc(O)c3oc4ccccc4c4ccc(c1=O)c2c34	85994792	MYICUMRUDLMCKG-UHFFFAOYSA-N	316.312	4.405	5	1	DIBF	
O=[N+]([O-])c1cnc2[nH]c(/C=C\c3cccc4ccccc34)nc2c1	587970044	XZTYOORLWQHWJO-HJWRWDBZSA-N	316.320	4.190	5	1	DIBF	
Cc1ccccc1Sc1cc(O)nc2c([N+](=O)[O-])cccc12	299871406	YLDZPIACYQCIKO-UHFFFAOYSA-N	312.350	4.308	5	1	DIBF	
Cc1cccnc1-c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12	587645614	ZSSDXFZFEMZEED-UHFFFAOYSA-N	321.258	4.465	5	1	DIBF	
O=[N+]([O-])c1cnn(-c2c(-c3ccccc3)[nH]c3cccc(F)c23)c1	587636260	UDYFXJJSLWAXSZ-UHFFFAOYSA-N	322.299	4.068	5	1	DIBF	
COc1nc(-c2cccs2)cc2c1c(=O)oc1ccccc12	64549878	ZDTDKDFNSYFYRN-UHFFFAOYSA-N	309.346	4.078	5	1	DIBF	
C[C@H]1CCO[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C1	586917489	QZENJHCLVSZRPD-VOJFVSQTSA-N	318.380	4.147	5	1	DIBF	
O=C(c1cccc(Cl)c1)c1coc2cc([N+](=O)[O-])ccc12	587280212	OFNRUQNBJZXFPT-UHFFFAOYSA-N	301.685	4.225	5	1	DIBF	
O=[N+]([O-])c1ccccc1CNc1cc2c(cn1)[nH]c1ccccc12	72176822	UMIBZLRBAYWCHO-UHFFFAOYSA-N	318.336	4.236	5	1	DIBF	
CO[C@H](C)c1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2N)cc1	587647011	CGCBLDDVWQRUFF-SNVBAGLBSA-N	311.341	4.033	5	1	DIBF	
Cc1cc2[nH]c(COC/C=C/c3ccccc3)nc2cc1[N+](=O)[O-]	587780658	FMYOHEVKRDLCOA-VMPITWQZSA-N	323.352	4.010	5	1	DIBF	
CCN1CCC(Nc2ccnc3cc4ccccc4cc23)CC1	34032034	CBZNWDAXWYCCFA-UHFFFAOYSA-N	305.425	4.284	5	1	DIBF	
O=C(c1cc(Cl)ccc1F)c1coc2cc([N+](=O)[O-])ccc12	587280321	SMJAETTYTGCLQE-UHFFFAOYSA-N	319.675	4.365	5	1	DIBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1Cc1c(F)cccc1F	587646115	KEXNJVOHTSXFRO-UHFFFAOYSA-N	302.280	4.254	5	1	DIBF	
O=[N+]([O-])c1cc(/C=C/c2nc3ccc(F)cc3[nH]2)ccc1Cl	587047351	HDGZUNGNYJUHMQ-QHHAFSJGSA-N	317.707	4.434	5	1	DIBF	
COc1cc(-c2ccccc2)cc2c3ccccc3c[n+](C)c12	1857537437	FADNWGPRIPNZKM-UHFFFAOYSA-N	300.381	4.493	5	1	DIBF	
O=C(O)c1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccc(Cl)cc1	587644888	PWJNRPCAYNECFF-UHFFFAOYSA-N	316.700	4.095	5	1	DIBF	
Cc1cncc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12	587264486	GLJQGQLFRRXFBF-UHFFFAOYSA-N	320.308	4.102	5	1	DIBF	
O=[N+]([O-])c1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2O)cc1	587631818	VYDKXWZBOYWJNQ-UHFFFAOYSA-N	306.680	4.241	5	1	DIBF	
Cc1onc(-c2ccc(Cl)o2)c1-c1ccc([N+](=O)[O-])cc1	103269985	GYLLTOGESKPWEL-UHFFFAOYSA-N	304.689	4.472	5	1	DIBF	
Cc1c(-c2nc3ccc4c(c3[nH]2)CCCC4)cccc1[N+](=O)[O-]	587261061	RITPZZLBGQYCPC-UHFFFAOYSA-N	307.353	4.325	5	1	DIBF	
Cc1cccc(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c1C	587646837	LFFBPPVKZINXMV-UHFFFAOYSA-N	323.352	4.254	5	1	DIBF	
C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1	29404501	NCPVINAZNPBCKE-MOPGFXCFSA-N	320.522	4.258	5	1	DIBF	
O=c1c2ccc(Cl)cc2[nH]c2c1[nH]c1ccc(Cl)cc12	64526587	YWXNMOLJABLUAR-UHFFFAOYSA-N	303.148	4.469	5	1	DIBF	
O=[N+]([O-])c1cccc2c1CCc1c-2nc2cccc3c2c1CC3	587210711	FAUCFKKUEGTBPF-UHFFFAOYSA-N	302.333	4.007	5	1	DIBF	
CCc1c(-c2cccc([N+](=O)[O-])c2)nc2cccc3c2c1CC3	587211881	YIJVIBUMNSBHSU-UHFFFAOYSA-N	304.349	4.471	5	1	DIBF	
Cc1ccc(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c(C)c1	587647386	XTQKTWFECMYZJE-UHFFFAOYSA-N	323.352	4.254	5	1	DIBF	
O=[N+]([O-])c1ccc2c(c1)CC[C@@H](NCCCc1ccccc1)CC2	653748038	ZCIHOOYQUGPXHZ-IBGZPJMESA-N	324.424	4.065	5	1	DIBF	
Cn1c2c3cccc([N+](=O)[O-])c3nc-2cc2cc(Cl)ccc21	138269368	WNLQPXXNGMTYCY-UHFFFAOYSA-N	311.728	4.393	5	1	DIBF	
O=[N+]([O-])c1ccc(-c2ccncc2)c(OCCc2ccccc2)c1	299862547	NJQHXTMWQLKXLM-UHFFFAOYSA-N	320.348	4.278	5	1	DIBF	
O=[N+]([O-])c1cccc(CCc2nc3cc(Cl)c(F)cc3[nH]2)c1	587270371	NBHYBUNIMNERIA-UHFFFAOYSA-N	319.723	4.049	5	1	DIBF	
O=[N+]([O-])c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1	587085769	GRDISDOIVJIHQK-UHFFFAOYSA-N	324.727	4.340	5	1	DIBF	
O=[N+]([O-])c1cc2[nH]c(-c3cc4c(s3)CCC4)nc2cc1Cl	587033141	DTQGHFPZCFYLBR-UHFFFAOYSA-N	319.773	4.342	5	1	DIBF	
CC1(C)c2ccc([N+](=O)[O-])cc2-c2[nH]c3c(C(=O)O)cccc3c21	26183263	NQFZBRAQTXXKSG-UHFFFAOYSA-N	322.320	4.081	5	1	DIBF	
O=[N+]([O-])c1ccc(/C=C/c2ccnc3ccccc23)c([N+](=O)[O-])c1	36381132	PXRRIZCQVLZEQM-AATRIKPKSA-N	321.292	4.222	5	1	DIBF	
O=c1[nH]c2cc(Cl)c(Cl)cc2n2cc3ccccc3c12	29051818	XGYXOXWOFSQIGI-UHFFFAOYSA-N	303.148	4.241	5	1	DIBF	
CC(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1Cc1cccc(N)c1	587647409	HBXQNPGCNKEQJK-UHFFFAOYSA-N	309.369	4.373	5	1	DIBF	
Cc1cc2nc(-c3ccc(OC4CCC4)cc3)[nH]c2cc1[N+](=O)[O-]	587951908	VFMYLJGKGRASEH-UHFFFAOYSA-N	323.352	4.378	5	1	DIBF	
Cc1cc2c(cc1Br)c(=O)oc1c(C)c(O)ccc12	28571997	DIEUOVJMDVAUFW-UHFFFAOYSA-N	319.154	4.031	5	1	DIBF	
Cc1ccc(C)c(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1	587959698	SMZFIGALNOTJLG-UHFFFAOYSA-N	315.760	4.332	5	1	DIBF	
O=C1c2cccnc2-c2nccc3c2c1nc1ccc(Cl)cc13	27203696	RDOBSVYAIZUPAY-UHFFFAOYSA-N	317.735	4.043	5	1	DIBF	
Cc1cc2c(nc(C)n2[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1C	653697146	ZGXXFTHATZFYAK-ZDUSSCGKSA-N	309.369	4.479	5	1	DIBF	
Cc1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2cc1Cl	587160209	MABXALUKTBRLDB-UHFFFAOYSA-N	305.696	4.239	5	1	DIBF	
Cc1cc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3)nc2cc1[N+](=O)[O-]	587161734	BSXHEJDAVPYGFP-QWHCGFSZSA-N	311.316	4.190	5	1	DIBF	
O=c1c2ccccc2n(Cc2cccc(F)c2)c2ccccc12	40413122	ZDUNPBPWJXYEAQ-UHFFFAOYSA-N	303.336	4.342	5	1	DIBF	
Cc1nccc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c12	587266296	YHLBUUXBNFCALK-UHFFFAOYSA-N	320.308	4.102	5	1	DIBF	
COc1ccc(/C=C\c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-]	40972990	FAJYSVVZMRUMJE-IHWYPQMZSA-N	309.243	4.191	5	1	DIBF	
O=[N+]([O-])c1cccc2[nH]c(-c3cccc(F)c3)c(-n3ccnc3)c12	587645787	KDIMSUFEQPEIJD-UHFFFAOYSA-N	322.299	4.068	5	1	DIBF	
CN(C)CCCNc1c2ccccc2nc2c1oc1ccccc12	13675789	LVKYDLBWVCJVBE-UHFFFAOYSA-N	319.408	4.498	5	1	DIBF	
CCCOc1ccccc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1N	587647969	WFBCHDFLXBZJQM-UHFFFAOYSA-N	311.341	4.114	5	1	DIBF	
O=C(c1cccc([N+](=O)[O-])c1)c1coc2ccc(Cl)cc12	587278119	GXTDNEBMBHWDSB-UHFFFAOYSA-N	301.685	4.225	5	1	DIBF	
C[C@H]1CCc2sc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2C1	587034695	YEDQUGFPJFCPGB-VIFPVBQESA-N	313.382	4.324	5	1	DIBF	
CC/C(=C/c1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccc(C)cc1	587965519	AVNTTXSVRIGJTA-WQLSENKSSA-N	308.341	4.125	5	1	DIBF	
O=[N+]([O-])c1cc(O)c2cc(-c3ccc(C(F)(F)F)cc3)[nH]c2c1	72112988	ONRUQZQTHJCOEN-UHFFFAOYSA-N	322.242	4.468	5	1	DIBF	
CC(=O)c1cc(-c2ccc3cc(O)ccc3c2)cc([N+](=O)[O-])c1O	299827757	RLRHJAFILBDEBV-UHFFFAOYSA-N	323.304	4.029	5	1	DIBF	
O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1c1cccnc1	27868660	MESDJICNRXZZPW-UHFFFAOYSA-N	324.339	4.189	5	1	DIBF	
Cc1ccc(/C=C/c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1F	587146533	PFSXNQYIERZIJY-AATRIKPKSA-N	311.316	4.397	5	1	DIBF	
C[C@H](O)CCNCc1ccc2ccc3cccc4ccc1c2c34	26471625	FQKOMVAUADRIBU-AWEZNQCLSA-N	303.405	4.445	5	1	DIBF	
Cc1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1	587139371	IMKYAUXULPIALM-UHFFFAOYSA-N	305.696	4.239	5	1	DIBF	
O=c1cc(COc2cccc(O)c2)c2c(ccc3ccccc32)o1	103201325	MJKUMYIRRHEIGV-UHFFFAOYSA-N	318.328	4.231	5	1	DIBF	
O=C(c1cc([N+](=O)[O-])ccc1Cl)c1coc2ccccc12	587281028	QAQJALSLTRBIQI-UHFFFAOYSA-N	301.685	4.225	5	1	DIBF	
O=C(Nc1ccc2nc3ccccc3nc2c1)c1cccs1	96932240	IFPZAVYUEVLJLF-UHFFFAOYSA-N	305.362	4.097	5	1	DIBF	
CC(C)Sc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1	169322624	RPRSJVAAHTWJEK-UHFFFAOYSA-N	314.362	4.145	5	1	DIBF	
CCCCc1c(-c2cn(C)nc2C)[nH]c2cccc([N+](=O)[O-])c12	587647849	RIVRWDHKVKGXRK-UHFFFAOYSA-N	312.373	4.128	5	1	DIBF	
CCC[N+]1(C)CC[C@H]2[C@@H](C1)c1ccccc1N2Cc1ccccc1	4140336	AMAJGIBXVZDQBW-RJHJHSSFSA-N	321.488	4.419	5	1	DIBF	
O=C(O)c1ccc2c(c1)nc(-c1ccsc1)c1ccncc12	43206126	AFSNNEJIKHHNDD-UHFFFAOYSA-N	306.346	4.210	5	1	DIBF	
Cc1cc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2cc1[N+](=O)[O-]	586890625	RKMWJEPIQREBER-AUUYWEPGSA-N	319.364	4.151	5	1	DIBF	
Cc1c(-c2ccc(Cl)cc2O)[nH]c2cc([N+](=O)[O-])ccc12	587645114	WFSKMGTVXPAGGE-UHFFFAOYSA-N	302.717	4.411	5	1	DIBF	
CCOc1cccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	1857754868	PETOGRHFBFYCJF-VOTSOKGWSA-N	314.297	4.072	5	1	DIBF	
COc1c2cc3c(ccc4cc(Cl)oc43)oc-2cc(=O)c1O	144598613	RKKSFTIQCWWOEK-UHFFFAOYSA-N	316.696	4.012	5	1	DIBF	
O=[N+]([O-])c1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1	587023896	RPFWGUPIOMPQBL-UHFFFAOYSA-N	322.349	4.262	5	1	DIBF	
CN(C/C=C/c1cccc([N+](=O)[O-])c1)Cc1coc2ccccc12	1772622332	SFUIFVLHSMVXFQ-FNORWQNLSA-N	322.364	4.486	5	1	DIBF	
COc1ccc(-c2oc3ccc4ccccc4c3c(=O)c2O)cc1	96283614	XQVRNLFONCWQSK-UHFFFAOYSA-N	318.328	4.327	5	1	DIBF	
COc1c2c(cc3c(=O)c4cc(C)ccc4oc13)CCC(C)(C)O2	96928328	ITELNHZJIBOQEZ-UHFFFAOYSA-N	324.376	4.367	5	1	DIBF	
O=[N+]([O-])c1ccc(/C(=C\c2ccccc2)Cn2ccnc2)cc1	12948813	OWJLTHRXWUXFEI-ATVHPVEESA-N	305.337	4.032	5	1	DIBF	
O=[N+]([O-])c1c(Cl)cccc1Oc1ccc(-c2nnco2)cc1	1857566874	JKCMIBXKGSODAC-UHFFFAOYSA-N	317.688	4.091	5	1	DIBF	
c1ccc2c(c1)oc1cccc3c1c2nn3CCN1CCCCC1	28528679	QVPJOQOOTHECRM-UHFFFAOYSA-N	319.408	4.422	5	1	DIBF	
O=Cc1c[nH]c2c1ccc1c3cc(Br)ccc3[nH]c12	45319034	KUIXBLRMWNOGNN-UHFFFAOYSA-N	313.154	4.377	5	1	DIBF	
Cc1c(-n2nc3cc2Oc2ccc(F)cc2-3)cccc1[N+](=O)[O-]	587874578	FPMDKETTWZICCH-UHFFFAOYSA-N	311.272	4.001	5	1	DIBF	
O=[N+]([O-])c1cccc2ccc(-c3nc4cc(Cl)ccc4[nH]3)nc12	1772610931	OLPYNABSILORCX-UHFFFAOYSA-N	324.727	4.340	5	1	DIBF	
O=[N+]([O-])c1ccc(Cl)c(-c2nc3ccc(Cl)cc3[nH]2)c1	653876673	PFMPSTIWCODLFE-UHFFFAOYSA-N	308.124	4.445	5	1	DIBF	
CC(C)(CO)NCc1ccc2ccc3cccc4ccc1c2c34	26474580	XRASFYBNDONEON-UHFFFAOYSA-N	303.405	4.445	5	1	DIBF	
CC(C)(C[N+](C)(C)C)[C@H]1O[C@@H]2CCCC[C@@H]2[C@@H]2C=CCC[C@@H]21	169307210	YENWMUFPFCZVBN-APAFKAMOSA-N	306.514	4.259	5	1	DIBF	
Cc1cccc(Nc2nc(-c3ccncc3[N+](=O)[O-])cs2)c1	45289542	OWDKGYBBWYLTRL-UHFFFAOYSA-N	312.354	4.165	5	1	DIBF	
O=C(c1c(F)cccc1[N+](=O)[O-])c1coc2ccc(Cl)cc12	587279034	USOCMQIHJAQRAM-UHFFFAOYSA-N	319.675	4.365	5	1	DIBF	
Cc1cc2[nH]c([C@@H]3Cc4ccccc4S3)nc2cc1[N+](=O)[O-]	587039230	DAALOEUHEDPBLU-HNNXBMFYSA-N	311.366	4.169	5	1	DIBF	
Cc1c(-c2cc(F)c(O)c(F)c2)[nH]c2cccc([N+](=O)[O-])c12	587645724	CCHANTYIHPRDQE-UHFFFAOYSA-N	304.252	4.035	5	1	DIBF	
C[C@@H](Nc1cc(-c2cccc([N+](=O)[O-])c2)ncn1)c1ccccc1	82160675	XJGVNFZCJVTRGS-CYBMUJFWSA-N	320.352	4.225	5	1	DIBF	
O=[N+]([O-])c1cccc2c(Sc3ccc(F)cc3)cc(O)nc12	299871741	ZDDXDRHKDNIKFH-UHFFFAOYSA-N	316.313	4.139	5	1	DIBF	
Cc1ccc(CC(=O)c2coc3cc([N+](=O)[O-])ccc23)c(C)c1	587279903	SWFQKVDEOSIKPC-UHFFFAOYSA-N	309.321	4.383	5	1	DIBF	
Cc1cccc2c3nn4c(-c5ccccc5)nnc4sc-3cc12	72116753	KMDZTEBQWFNEIB-UHFFFAOYSA-N	316.389	4.419	5	1	DIBF	
CCc1cc2c3nc4cc(OC)ccc4c-3ccn2nc1CC	377456733	DKBUXAKAQLFHAF-UHFFFAOYSA-N	305.381	4.121	5	1	DIBF	
O=C(c1cc([N+](=O)[O-])ccc1F)c1coc2ccc(Cl)cc12	587279275	ZTFRQHWSVOMDJO-UHFFFAOYSA-N	319.675	4.365	5	1	DIBF	
C[N+](C)(C)c1ccc2[nH]c(=O)c3sc4ccccc4c3c2c1	103231118	DUPXXHIFJDQIMX-UHFFFAOYSA-O	309.414	4.093	5	1	DIBF	
CC(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccccc1	587647112	QFKIMTFWXTVUJB-UHFFFAOYSA-N	323.352	4.452	5	1	DIBF	
O=C1c2nccc(Cl)c2-c2nc3ccccc3c3ccnc1c23	26979387	LWXZWXHVVUIXRN-UHFFFAOYSA-N	317.735	4.043	5	1	DIBF	
CC(C)=CCOc1cc2oc3ccccc3c(=O)c2c(O)c1C	28650388	WRNNXIAXSSIDRN-UHFFFAOYSA-N	310.349	4.305	5	1	DIBF	
CN(C/C=C/c1cccc([N+](=O)[O-])c1)Cc1cccc2ccoc12	653882139	MFHQXNMXCCQKBL-GQCTYLIASA-N	322.364	4.486	5	1	DIBF	
CC(C)CC(=O)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12	587644862	DZCIAHGWSZGVOP-UHFFFAOYSA-N	314.263	4.324	5	1	DIBF	
O=[N+]([O-])c1cccc2c(Oc3cccc(Cl)c3)cc(O)nc12	299854824	ALCFSJSTHKLNOG-UHFFFAOYSA-N	316.700	4.294	5	1	DIBF	
CCCCC[C@@H](C)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1	72183382	XBJJKSQXJZYHNK-CYBMUJFWSA-N	317.389	4.308	5	1	DIBF	
O=[N+]([O-])c1cccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12	587153295	YBWGWLNSIQFTFP-ZJUUUORDSA-N	315.279	4.020	5	1	DIBF	
Cc1cc(Cl)cc2c(O)c(-c3ccc([N+](=O)[O-])cc3)[nH]c12	587627480	XYVMZWMKPXSFFX-UHFFFAOYSA-N	302.717	4.411	5	1	DIBF	
Cc1cc2[nH]c(COC/C=C\c3ccccc3)nc2cc1[N+](=O)[O-]	587780660	FMYOHEVKRDLCOA-YVMONPNESA-N	323.352	4.010	5	1	DIBF	
CCC[N+]1(C)CC[C@@H]2[C@@H](C1)c1ccccc1N2Cc1ccccc1	4140335	AMAJGIBXVZDQBW-GWKQTIPISA-N	321.488	4.419	5	1	DIBF	
Cn1c2c3cc([N+](=O)[O-])ccc3nc-2cc2cc(Cl)ccc21	377819825	LALBHBQAZVUOBQ-UHFFFAOYSA-N	311.728	4.393	5	1	DIBF	
COc1cc(Cl)ccc1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1	587066639	PHGHTBWEKFKCRZ-UHFFFAOYSA-N	317.732	4.109	5	1	DIBF	
Cc1cccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12	587138888	AJNXOCMXCFERNE-UHFFFAOYSA-N	305.696	4.239	5	1	DIBF	
Cc1c2ccn(C[S@@](C)=O)cc2c(C)c2c1nc1ccccc12	377819865	SQRVRHCEKFOVLU-HSZRJFAPSA-N	322.433	4.296	5	1	DIBF	
Cc1[nH]c2cccc(F)c2c1-c1c([N+](=O)[O-])ccc(O)c1F	587634978	WYVHYYSKIAVBOG-UHFFFAOYSA-N	304.252	4.035	5	1	DIBF	
Cc1cc(NC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2n1	66122858	ROKJMCNROJUYBV-UHFFFAOYSA-N	322.324	4.095	5	1	DIBF	
CC[C@H](Oc1ccccc1F)c1nc2ccc([N+](=O)[O-])cc2[nH]1	587156615	XQCVTTPKSJTEAT-AWEZNQCLSA-N	315.304	4.140	5	1	DIBF	
O=[N+]([O-])c1ccc(C[C]2C=CN(Cc3cccc(F)c3)C=C2)cc1	2356861013	APGJEVZNYJBKLE-UHFFFAOYSA-N	323.347	4.394	5	1	DIBF	
CC(C)(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)(F)F	587644848	DNIBTUUHVZKUKF-UHFFFAOYSA-N	314.263	4.119	5	1	DIBF	
O=C(Cc1cc(F)ccc1F)c1coc2cc([N+](=O)[O-])ccc12	587279979	FQIRYXIZBIWTHI-UHFFFAOYSA-N	317.247	4.045	5	1	DIBF	
O=[N+]([O-])c1cccc2c(Sc3cccc(F)c3)cc(O)nc12	299864322	MDGLLUAJNHZXHA-UHFFFAOYSA-N	316.313	4.139	5	1	DIBF	
C[N+]12CCCC[C@H]1[C@@H](COc1cccc3cccnc13)CCC2	31872289	SDWYKDOJNBOHCC-HVHHGIHYSA-N	311.449	4.023	5	1	DIBF	
Cc1c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cccc1[N+](=O)[O-]	587260838	IHSJEXURCACHEP-UHFFFAOYSA-N	323.686	4.378	5	1	DIBF	
CC(=O)Nc1ccc(C=CC=Cc2cccc([N+](=O)[O-])c2)cc1	1857623159	YESPFJRWKIDADA-UHFFFAOYSA-N	308.337	4.280	5	1	DIBF	
C=Cc1cccc2c3cc4c(cc3c(=O)n(CCCC)c12)OCO4	53242813	RXTYRRNNAHGDDY-UHFFFAOYSA-N	321.376	4.327	5	1	DIBF	
COc1cccc(C)c1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587786323	KDFLKVHEQFVTSW-UHFFFAOYSA-N	317.732	4.109	5	1	DIBF	
CC(C)(C)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)(F)F	587645496	WZBODRICDUUCIX-UHFFFAOYSA-N	314.263	4.119	5	1	DIBF	
COc1c2c(cc3c(=O)c4ccccc4oc13)CCC(C)(C)O2	96928338	UBFPJRWNHVZZEC-UHFFFAOYSA-N	310.349	4.058	5	1	DIBF	
O=[N+]([O-])c1cccc2nc(CCc3cc4ccccc4o3)[nH]c12	586909224	WUWYUILLFONZMU-UHFFFAOYSA-N	307.309	4.003	5	1	DIBF	
CC(C)CCc1c2[nH]c3ccccc3nc-2c2c(c1=O)CCCC2	102000557	KMJLUZXMEQCXEG-UHFFFAOYSA-N	320.436	4.495	5	1	DIBF	
C[C@@H]1CCC[N@@+]1(C)COC(=O)[C@H](c1ccccc1)C1CCCC1	253637825	KIAOCNYSSUIRRX-BSIFCXSSSA-N	316.465	4.090	5	1	DIBF	
Cn1ccnc1-c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12	587647705	NIVQCTOESPJIHW-UHFFFAOYSA-N	318.336	4.144	5	1	DIBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccccc3)c(-c3ccncn3)c12	587649670	WUVWZSIWFGHCOQ-UHFFFAOYSA-N	316.320	4.200	5	1	DIBF	
Cc1cccc(C(=O)Nc2ccc3nc4ccccc4nc3c2)c1	96935023	SANDJNHSIMDEJW-UHFFFAOYSA-N	313.360	4.344	5	1	DIBF	
COc1cc(C)ccc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587925315	LXRGRABHHLJUSR-UHFFFAOYSA-N	317.732	4.109	5	1	DIBF	
O=[N+]([O-])c1cc2nc(/C=C\c3ccsc3)[nH]c2cc1Cl	587025315	HZSGEMKLOIRSTF-UPHRSURJSA-N	305.746	4.356	5	1	DIBF	
Fc1ccc(Cn2c3cccc4cccc(c43)n3cnnc23)cc1	1772609273	AWVWPVGAHPQDFX-UHFFFAOYSA-N	316.339	4.025	5	1	DIBF	
O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccccc4[nH]3)c2)c1	587269769	GKUQQLTZYKOAOB-UHFFFAOYSA-N	316.320	4.200	5	1	DIBF	
CC(C)(C[N+](C)(C)C)[C@@H]1O[C@H]2CCCC[C@@H]2[C@@H]2C=CCC[C@H]21	12858436	YENWMUFPFCZVBN-BRIYLRKRSA-N	306.514	4.259	5	1	DIBF	
Cc1cnc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2c1	587265604	RHFULHQJCHEKQE-UHFFFAOYSA-N	320.308	4.102	5	1	DIBF	
O=[N+]([O-])c1ccc2c(-c3ccncc3)c(C(F)(F)F)[nH]c2c1	587645239	LYFAXEMIMAHMMI-UHFFFAOYSA-N	307.231	4.157	5	1	DIBF	
Cn1c2c3ccc(Cl)c([N+](=O)[O-])c3nc-2cc2ccccc21	139143106	FIBDXMOJFLOPHL-UHFFFAOYSA-N	311.728	4.393	5	1	DIBF	
c1ccc2c(c1)oc1cccc3c1c2nn3CCN1CCCC1	28528678	JDOXNMFUVBCLKF-UHFFFAOYSA-N	305.381	4.032	5	1	DIBF	
O=[N+]([O-])c1ccc(SCc2ccc(Cl)cc2)c2nonc12	96933896	XVMUATUBQYPVGZ-UHFFFAOYSA-N	321.745	4.077	5	1	DIBF	
O=[N+]([O-])c1cccc2c(Oc3ccc(Cl)cc3)cc(O)nc12	299854752	AJQHZPYMJJOFSA-UHFFFAOYSA-N	316.700	4.294	5	1	DIBF	
Cc1cc2[nH]c([C@H]3Cc4ccccc4S3)nc2cc1[N+](=O)[O-]	587039234	DAALOEUHEDPBLU-OAHLLOKOSA-N	311.366	4.169	5	1	DIBF	
O=[N+]([O-])c1cccc(-c2[nH]c3ccc(F)c(Cl)c3c2O)c1	587631439	MHFRJSGPBHLBMT-UHFFFAOYSA-N	306.680	4.241	5	1	DIBF	
CC[C@@]1(C)C[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586886518	CIAPCCHXMRICHY-SDBXPKJASA-N	324.178	4.137	5	1	DIBF	
CCc1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1	587139050	CWAGIUOVKDBUDO-UHFFFAOYSA-N	319.723	4.493	5	1	DIBF	
Cc1nc(-c2c3ccccc3nc3ccccc23)sc1CCO	27106696	QGWPDHNUNKYJDO-UHFFFAOYSA-N	320.417	4.355	5	1	DIBF	
Cc1cc(CCCCCCCOc2ccc([N+](=O)[O-])cc2)on1	27865273	SPOZTRQXTGVJRC-UHFFFAOYSA-N	318.373	4.463	5	1	DIBF	
CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N@@+]2(C)C(C)C	254132354	NCCCVLZKNQKUCJ-NXWIVVFCSA-N	310.502	4.294	5	1	DIBF	
COc1cc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2cc1Cl	587260879	KFXBWHOEKMNBAM-UHFFFAOYSA-N	317.732	4.109	5	1	DIBF	
O=C(c1cc2ccccc2o1)c1coc2cc([N+](=O)[O-])ccc12	587280522	YVNGCPUTGXAUHM-UHFFFAOYSA-N	307.261	4.318	5	1	DIBF	
Cc1ccc(-c2c(C)[nH]c3c(C(=O)O)cccc23)c([N+](=O)[O-])c1	587637771	IIAPRFMYGYUQOK-UHFFFAOYSA-N	310.309	4.058	5	1	DIBF	
O=[N+]([O-])c1ccc2c(-n3ccnc3)c(-c3ccc(F)cc3)[nH]c2c1	587646133	UGQVNCOFMQHKKS-UHFFFAOYSA-N	322.299	4.068	5	1	DIBF	
COc1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12	587645094	VEOSHFMKORQAAM-UHFFFAOYSA-N	302.717	4.405	5	1	DIBF	
O=[N+]([O-])c1cncc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12	587026417	DUDCTHFAYPLXSX-UHFFFAOYSA-N	322.349	4.262	5	1	DIBF	
CN(C)CCCNc1nc2ccccc2c2[nH]c3ccccc3c12	45357342	YDDJZBOVSWPZMR-UHFFFAOYSA-N	318.424	4.233	5	1	DIBF	
CCO[P@@](=O)(Oc1ccccc1)Oc1ccc([N+](=O)[O-])cc1	28264456	GNRZPKXOCMYNMI-QFIPXVFZSA-N	323.241	4.197	5	1	DIBF	
Cc1cc2[nH]c([C@@H](C)Oc3ccc(F)cc3)nc2cc1[N+](=O)[O-]	587167993	CCAIQPRPSOVVIH-SNVBAGLBSA-N	315.304	4.059	5	1	DIBF	
O=C(c1coc2cc([N+](=O)[O-])ccc12)C1CCC(F)(F)CC1	587279973	FNMRDJOTIZLVLW-UHFFFAOYSA-N	309.268	4.349	5	1	DIBF	
c1ccc(-c2nnc3sc4cc5ccccc5c-4nn23)cc1	72116937	CQVWRGJRMDRMMP-UHFFFAOYSA-N	302.362	4.111	5	1	DIBF	
COc1cc2c(cc1Oc1ccccc1)CC[N@@+]1(C)CCC[C@H]21	1772605379	AQNYKOQKEAPUGW-WIYYLYMNSA-N	310.417	4.325	5	1	DIBF	
Cc1c2c(c3oc4ccccc4c(=O)c3c1O)CCC(C)(C)O2	28650406	YBFOZDLGSKJOSZ-UHFFFAOYSA-N	310.349	4.064	5	1	DIBF	
CC(C)(C[N+](C)(C)C)[C@H]1O[C@H]2CCCC[C@@H]2[C@@H]2C=CCC[C@@H]21	169307215	YENWMUFPFCZVBN-PJVZLEMVSA-N	306.514	4.259	5	1	DIBF	
CSCC(C)(C)c1nc2cc3nc4ccccc4nc3cc2[nH]1	586969209	OLTAJEHWNUABJG-UHFFFAOYSA-N	322.437	4.300	5	1	DIBF	
O=[N+]([O-])c1ccc2c(c1)CC[C@H](NCCCc1ccccc1)CC2	653748039	ZCIHOOYQUGPXHZ-LJQANCHMSA-N	324.424	4.065	5	1	DIBF	
Nc1scc(-c2cccc([N+](=O)[O-])c2)c1C(=O)c1ccccc1	43022021	CDBUIOSGESBCCN-UHFFFAOYSA-N	324.361	4.137	5	1	DIBF	
Cc1cc2[nH]c([C@H](C)Oc3ccc(F)cc3)nc2cc1[N+](=O)[O-]	587167991	CCAIQPRPSOVVIH-JTQLQIEISA-N	315.304	4.059	5	1	DIBF	
COc1ccc(Cn2c3ccccc3c(=O)c3ccccc32)cc1	40940329	OTZXBHSGFYZPRH-UHFFFAOYSA-N	315.372	4.212	5	1	DIBF	
C[C@H]1CCCC[C@@H]1Nc1cc(-c2cccc([N+](=O)[O-])c2)ncn1	82162205	YYIFRJLPECKYQO-WFASDCNBSA-N	312.373	4.042	5	1	DIBF	
CN(C)CCn1cc2c([N+](=O)[O-])ccc3oc4ccccc4c1c32	40764396	CORIEARLTHHANJ-UHFFFAOYSA-N	323.352	4.011	5	1	DIBF	
O=[N+]([O-])c1ccc(-c2cccnc2)cc1OCCc1ccccc1	299866740	WNYPYRALTLDIFT-UHFFFAOYSA-N	320.348	4.278	5	1	DIBF	
O=[N+]([O-])c1cc2nc(/C=C\c3ccc(F)cc3F)[nH]c2cc1F	587150966	WGXTWQCMADOWEP-RQOWECAXSA-N	319.242	4.059	5	1	DIBF	
C1=Cc2cc3ccc(cc4nc(cc5[nH]c(cc1n2)CC5)C=C4)[nH]3	5845716	SURLGNKAQXKNSP-UHFFFAOYSA-N	312.376	4.163	5	1	DIBF	biogenic,in-vitro
Cc1ccc(SCc2nc3cccc([N+](=O)[O-])c3[nH]2)c(C)c1	586964733	KYPOCRTZVWAHFY-UHFFFAOYSA-N	313.382	4.380	5	1	DIBF	
O=C(c1ccc([N+](=O)[O-])c(Cl)c1)c1coc2ccccc12	587281109	WAYSSZLNDNKZHZ-UHFFFAOYSA-N	301.685	4.225	5	1	DIBF	
Cc1cccc(-c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)n1	587645037	IAPRIIPGRZGDII-UHFFFAOYSA-N	321.258	4.465	5	1	DIBF	
O=[N+]([O-])c1cc(/C=C/c2nc3cccc(O)c3[nH]2)ccc1Cl	587047071	AKSBTQPJCKDFPE-FNORWQNLSA-N	315.716	4.001	5	1	DIBF	
Cc1cc(Br)c2c(c1)c(=O)oc1c(C)c(O)ccc12	3987045	JOZIANFGUFWKJB-UHFFFAOYSA-N	319.154	4.031	5	1	DIBF	
O=[N+]([O-])c1cccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12	587084653	FLEKPYZEWYDYGY-UHFFFAOYSA-N	324.727	4.340	5	1	DIBF	
O=C(c1cc(F)ccc1Cl)c1coc2cc([N+](=O)[O-])ccc12	587279835	CRHPQIAUUYAFFI-UHFFFAOYSA-N	319.675	4.365	5	1	DIBF	
CC(C)(O)CNCc1ccc2ccc3cccc4ccc1c2c34	26472440	IZYVOVVQOXRYTA-UHFFFAOYSA-N	303.405	4.445	5	1	DIBF	
CC1CCC(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)CC1	82160658	KEHJCLLQDYESJT-UHFFFAOYSA-N	312.373	4.042	5	1	DIBF	
COc1c(CC=C(C)C)ccc2c(=O)c3c(O)cccc3oc12	238770222	ACGXXPJIPLSKKB-UHFFFAOYSA-N	310.349	4.169	5	1	DIBF	
COc1ccc(-c2c(C)[nH]c3cc(F)ccc23)c([N+](=O)[O-])c1	587636351	XPACFROSCFZVKA-UHFFFAOYSA-N	300.289	4.199	5	1	DIBF	
C[n+]1c2ccccc2cc2[nH]c3ccc(Br)cc3c21	26952742	KWOZUVIPJFWAIN-UHFFFAOYSA-O	312.190	4.061	5	1	DIBF	
CC[C@H](O)CNCc1ccc2ccc3cccc4ccc1c2c34	26404788	FNGQUPXHNZLQKO-SFHVURJKSA-N	303.405	4.445	5	1	DIBF	
CCc1oc2ccccc2c1-c1nc2cccc([N+](=O)[O-])c2[nH]1	586903902	OBBIZEGKPJPHET-UHFFFAOYSA-N	307.309	4.447	5	1	DIBF	
Cc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1F	587139597	LCSXRZVFMUEYKK-UHFFFAOYSA-N	323.686	4.378	5	1	DIBF	
O=C(c1ccc(F)cc1[N+](=O)[O-])c1coc2ccc(Cl)cc12	587279486	WFTVYCQGPGDMEK-UHFFFAOYSA-N	319.675	4.365	5	1	DIBF	
CN1c2c(ccc3ccccc23)-c2ccccc2[C@@H]1C[N+](=O)[O-]	1857647391	PLFNOZPDADHOIF-SFHVURJKSA-N	304.349	4.274	5	1	DIBF	
CC[C@@]1(C)C[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586886517	CIAPCCHXMRICHY-OQPBUACISA-N	324.178	4.137	5	1	DIBF	
C[C@H]1CCO[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C1	586916978	JIVZZVZFEPIKRW-FZMZJTMJSA-N	318.380	4.147	5	1	DIBF	
CO[C@@H](C)c1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2N)cc1	587647975	WRUXRQHMZRNGJC-JTQLQIEISA-N	311.341	4.033	5	1	DIBF	
O=C(O)c1ccc2c(c1)nc(-c1ccc(F)cc1)c1ccncc12	43206128	PCLRZKNIKYPDAG-UHFFFAOYSA-N	318.307	4.287	5	1	DIBF	
CC[C@@]1(C)C[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586887387	GNSZDXSUQUMZCN-CPFSXVBKSA-N	324.178	4.137	5	1	DIBF	
Cc1c(-c2ccc3c(c2)cc(O)n3C)[nH]c2cccc([N+](=O)[O-])c12	587648071	ZTIBTUDORDGGMS-UHFFFAOYSA-N	321.336	4.249	5	1	DIBF	
COc1ccc(-c2ccc3c(c2)c2ccccc2c[n+]3C)cc1	1857537643	GWIZYJVPXLWOQP-UHFFFAOYSA-N	300.381	4.493	5	1	DIBF	
CNc1cc(Cl)ccc1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1	587066843	UBFLIYHOYHRCCE-UHFFFAOYSA-N	316.748	4.142	5	1	DIBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccccc2[nH]1	587109435	JPLICOZUIZYPNU-UHFFFAOYSA-N	321.258	4.081	5	1	DIBF	
CSc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1	587280171	MJIOVWQJFZYHTP-UHFFFAOYSA-N	313.334	4.294	5	1	DIBF	
Cc1cccnc1-c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12	587645066	JSHZKIACOWRNTP-UHFFFAOYSA-N	321.258	4.465	5	1	DIBF	
Cc1c(-c2cc(F)c(F)c(F)c2)[nH]c2cccc([N+](=O)[O-])c12	587646255	MFQCBBKHGZKTKG-UHFFFAOYSA-N	306.243	4.469	5	1	DIBF	
O=c1oc2ccc(O)cc2c2c1[nH]c1cccc(C(F)(F)F)c12	82152927	AIDSJCIQTLHYSQ-UHFFFAOYSA-N	319.238	4.152	5	1	DIBF	
Cn1c2ccccc2c2cc3[nH]c4ccccc4c3c(CO)c21	1911583359	JJEMEAYEYDLYHW-UHFFFAOYSA-N	300.361	4.458	5	1	DIBF	
Cc1cc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2cc1[N+](=O)[O-]	586890636	RKMWJEPIQREBER-KUHUBIRLSA-N	319.364	4.151	5	1	DIBF	
O=C(c1cccs1)c1c(C(F)F)[nH]c2cc([N+](=O)[O-])ccc12	587646194	LGIYUSVSPNFFCA-UHFFFAOYSA-N	322.292	4.306	5	1	DIBF	
CN(C/C=C/c1ccc([N+](=O)[O-])cc1)Cc1cccc2cc[nH]c12	1772599783	JKDYPZHWVHETQO-ONEGZZNKSA-N	321.380	4.221	5	1	DIBF	
O=C1Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc2C12CCCC2	13860661	AWTOGSZGTICREU-UHFFFAOYSA-N	308.337	4.026	5	1	DIBF	
CCN(CC)c1nc(O)c2c(ccc3c4ccccc4oc32)n1	653705332	OVSJLRNOHFWOHS-UHFFFAOYSA-N	307.353	4.081	5	1	DIBF	
Oc1nc2c(Cl)c3ncccc3cc2nc1-c1ccccc1	73220885	LGSDGPVNUQMJNA-UHFFFAOYSA-N	307.740	4.204	5	1	DIBF	
CCc1oc2ccccc2c1-c1nc2ccc([N+](=O)[O-])cc2[nH]1	586904363	TUGKZYBJIPQJMU-UHFFFAOYSA-N	307.309	4.447	5	1	DIBF	
COc1cccc2c1O[C@@H](c1ccc(Cl)cc1)C([N+](=O)[O-])=C2	1642459	QPWTVCSDBXVHHT-HNNXBMFYSA-N	317.728	4.100	5	1	DIBF	
Cc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(C)s1	587279981	FRXROQDUFNJIQR-UHFFFAOYSA-N	301.323	4.250	5	1	DIBF	
CCc1cc2c3nc4ccc([N+](=O)[O-])cc4c-3ccn2nc1CC	377819830	YBRWWXKYKZRARB-UHFFFAOYSA-N	320.352	4.020	5	1	DIBF	
COCCc1[nH]c2cccc([N+](=O)[O-])c2c1-c1cccc(F)c1	587645584	DZNGTIVSNQEARD-UHFFFAOYSA-N	314.316	4.071	5	1	DIBF	
COc1cc(Cl)ccc1C(=S)Nc1ccc([N+](=O)[O-])cc1	84688946	CMKKQIFOXGLNQZ-UHFFFAOYSA-N	322.773	4.044	5	1	DIBF	
C[C@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(C)(C)C	64549582	FWSWBGCMLCFSRN-JTQLQIEISA-N	313.376	4.062	5	1	DIBF	
c1ccc2c(C(n3cccn3)n3cccn3)c3ccccc3cc2c1	103255504	PCCKIUCZIOHWMY-UHFFFAOYSA-N	324.387	4.481	5	1	DIBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3)c(-n3ccnc3)c12	587646085	SRZGGPDXZGCEPM-UHFFFAOYSA-N	322.299	4.068	5	1	DIBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccccc1Cl	587644787	NUFWUEOETKTDKZ-UHFFFAOYSA-N	314.728	4.269	5	1	DIBF	
COc1cc2c(c3cc(O)ccc3n2C)c2c(Cl)nccc12	5932645	CHGKIBLDKIVOTG-UHFFFAOYSA-N	312.756	4.247	5	1	DIBF	
O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1	96309556	DEDBMNCDHFNYKX-UHFFFAOYSA-N	300.097	4.400	5	1	DIBF	in-vivo
CCc1noc(-c2ccc3sc4ccccc4c(=O)c3c2)n1	1772647565	UNBOLEYGXKAFAD-UHFFFAOYSA-N	308.362	4.027	5	1	DIBF	
CN(C)c1ccc(Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1	58507691	XSVYZOBOERWGEJ-UHFFFAOYSA-N	314.370	4.014	5	1	DIBF	
Cc1c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cccc1[N+](=O)[O-]	587261154	WKKMFBFMVLYGMT-UHFFFAOYSA-N	323.139	4.148	5	1	DIBF	
Cc1cc2[nH]c(/C=C\c3ccc(F)cc3F)nc2cc1[N+](=O)[O-]	587149601	HVARFIYATAPCKQ-HYXAFXHYSA-N	315.279	4.228	5	1	DIBF	
O=[N+]([O-])c1cccc(-c2[nH]c3cc(Cl)c(F)cc3c2O)c1	587631417	LNVUHDQRVWXEFA-UHFFFAOYSA-N	306.680	4.241	5	1	DIBF	
CC1(C)CCC(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC1	587963954	WTCKKHHXMFBXOS-UHFFFAOYSA-N	305.353	4.369	5	1	DIBF	
NC1CC(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)C1	587255831	YQMDJKYQPARRLY-UHFFFAOYSA-N	301.393	4.149	5	1	DIBF	
CCc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cccc([N+](=O)[O-])c12	587646974	BJHQFIPJJFARED-UHFFFAOYSA-N	311.297	4.214	5	1	DIBF	
COc1ccc(Cl)cc1C(=S)Nc1cccc([N+](=O)[O-])c1	84741624	XFJPGNFLDAGDGT-UHFFFAOYSA-N	322.773	4.044	5	1	DIBF	
Cc1cc2nc(-c3ccc(OC(F)F)cc3)[nH]c2cc1[N+](=O)[O-]	587130454	KEHPEAMSTSYSMM-UHFFFAOYSA-N	319.267	4.048	5	1	DIBF	
CCCC/C=C\c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587966540	VYGDDDQRZAAMJX-WAYWQWQTSA-N	324.178	4.437	5	1	DIBF	
CCC(C)(C)c1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1	586882238	XAQJXGYTRKJDKI-UHFFFAOYSA-N	310.357	4.221	5	1	DIBF	
O=C(O)c1cccc2c(-c3ccccc3[N+](=O)[O-])c(C3CC3)[nH]c12	587638130	KVJQSWWRIVMYAB-UHFFFAOYSA-N	322.320	4.319	5	1	DIBF	
COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2O)cc1Cl	587644667	KEKLVMQDTYCATD-UHFFFAOYSA-N	318.716	4.111	5	1	DIBF	
O=c1cc(COc2cccc(O)c2)c2ccc3ccccc3c2o1	103201327	BYYKBIIYFHIAPP-UHFFFAOYSA-N	318.328	4.231	5	1	DIBF	
Cc1nn(Cc2ccccc2)c(C)c1-c1cccc([N+](=O)[O-])c1	1152769	KGUAKVMUCCQJIK-UHFFFAOYSA-N	307.353	4.123	5	1	DIBF	
C[C@H](SCc1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1	586962058	NZHSUFQWXRXPHH-NSHDSACASA-N	313.382	4.466	5	1	DIBF	
O=[N+]([O-])c1cccc2nc(-c3ncsc3-c3ccccc3)[nH]c12	587028633	XXEKKUVTVCBUAT-UHFFFAOYSA-N	322.349	4.262	5	1	DIBF