smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000001685561	347960688	/nfs/dbraw/zinc/96/06/88/347960688.db2.gz	VBNQFMDAUUHCAE-IMTBSYHQSA-N	-1	0	268.225	0.159	40	5		CCBBRM
COC(=O)C(C(=O)OC)=C([O-])c1ccccc1[N+](=O)[O-]	ZINC000016189597	348044158	/nfs/dbraw/zinc/04/41/58/348044158.db2.gz	JFXULFVCROYLGP-UHFFFAOYSA-N	-1	0	281.220	0.740	40	5		CCBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(O)cc2O)[nH]1	ZINC000033661439	348147571	/nfs/dbraw/zinc/14/75/71/348147571.db2.gz	HUYUQCXAIFQIFG-DUXPYHPUSA-N	-1	0	291.219	0.965	40	5		CCBBRM
CN(C)c1ccc([N+](=O)[O-])cc1/C=C1\NC(=O)[N-]C1=O	ZINC000005798004	388763331	/nfs/dbraw/zinc/76/33/31/388763331.db2.gz	XHNQGOOYHKCMFN-TWGQIWQCSA-N	-1	0	276.252	0.841	40	5		CCBBRM
CCS(=O)(=O)Cc1cc(C(=O)[O-])oc1[N+](=O)[O-]	ZINC000096532835	389065437	/nfs/dbraw/zinc/06/54/37/389065437.db2.gz	LUSDEIOCWSHTFO-UHFFFAOYSA-N	-1	0	263.227	0.821	40	5		CCBBRM
C[C@@H](Cn1cc(-n2cc([N+](=O)[O-])cn2)cn1)C(=O)[O-]	ZINC000685936781	570388492	/nfs/dbraw/zinc/38/84/92/570388492.db2.gz	YEUYKVCFVZZVSG-ZETCQYMHSA-N	-1	0	265.229	0.698	40	5		CCBBRM
Nn1cnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000070462401	348891292	/nfs/dbraw/zinc/89/12/92/348891292.db2.gz	DAKLLINPYCEDIS-UHFFFAOYSA-N	-1	0	281.253	0.750	40	5		CCBBRM
O=C([O-])c1cnc(COc2ccccc2[N+](=O)[O-])[nH]c1=O	ZINC000217382831	351947419	/nfs/dbraw/zinc/94/74/19/351947419.db2.gz	SLGVKIJIFXHSGU-UHFFFAOYSA-N	-1	0	291.219	0.955	40	5		CCBBRM
CCOC(=O)c1cn(C(C)(C)C(=O)[O-])nc1[N+](=O)[O-]	ZINC000408715739	389376325	/nfs/dbraw/zinc/37/63/25/389376325.db2.gz	DBVPHFJWTQKTPU-UHFFFAOYSA-N	-1	0	271.229	0.788	40	5		CCBBRM
O=c1[n-]n2cc(-c3n[nH]cc3[N+](=O)[O-])cnc2c1Cl	ZINC000001066596	304815054	/nfs/dbraw/zinc/81/50/54/304815054.db2.gz	RKTIGEHIJABBFR-UHFFFAOYSA-N	-1	0	280.631	0.974	40	5		CCBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccccn2)[nH]1	ZINC000006423473	348004663	/nfs/dbraw/zinc/00/46/63/348004663.db2.gz	ARVQEKMGMVLMFR-SNAWJCMRSA-N	-1	0	260.209	0.537	40	5		CCBBRM
CCOC(=O)c1c(N)[n-]n(-c2ccccc2[N+](=O)[O-])c1=O	ZINC000016682980	348050327	/nfs/dbraw/zinc/05/03/27/348050327.db2.gz	DYCXJZBIXGESHW-UHFFFAOYSA-N	-1	0	292.251	0.833	40	5		CCBBRM
CS(=O)(=O)C(CO)=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000096518755	389063402	/nfs/dbraw/zinc/06/34/02/389063402.db2.gz	PBQYCWZMIBLVEU-SECBINFHSA-N	-1	0	273.266	0.183	40	5		CCBBRM
O=C([O-])CCn1cc([N+](=O)[O-])c(OCC(F)F)n1	ZINC000408717039	389376305	/nfs/dbraw/zinc/37/63/05/389376305.db2.gz	VCMNQPGESBGMAL-UHFFFAOYSA-N	-1	0	265.172	0.910	40	5		CCBBRM
COc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(C)C2=O)c1[O-]	ZINC000409194744	389376671	/nfs/dbraw/zinc/37/66/71/389376671.db2.gz	QNPVRTJQKSMRLY-XBXARRHUSA-N	-1	0	293.235	0.832	40	5		CCBBRM
CC(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004533832	169979466	/nfs/dbraw/zinc/97/94/66/169979466.db2.gz	CZAFZGHQNCYTDG-SNVBAGLBSA-N	-1	0	295.251	0.513	40	5		CCBBRM
O=C([O-])[C@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2)C1	ZINC000045958697	175389507	/nfs/dbraw/zinc/38/95/07/175389507.db2.gz	BIYBOOPCVDQEHB-VIFPVBQESA-N	-1	0	293.279	0.940	40	5		CCBBRM
COC(=O)c1ccc(S(=O)(=O)[O-])cc1[N+](=O)[O-]	ZINC000001725141	347961675	/nfs/dbraw/zinc/96/16/75/347961675.db2.gz	XZTNYUNDTCLYKX-UHFFFAOYSA-N	-1	0	261.211	0.628	40	5		CCBBRM
COc1c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c2c1[N+](=O)[O-]	ZINC000059391011	388935342	/nfs/dbraw/zinc/93/53/42/388935342.db2.gz	SZSDXALMLAEOGD-UHFFFAOYSA-N	-1	0	282.168	0.866	40	5		CCBBRM
CCCn1nnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1	ZINC000014258564	397374616	/nfs/dbraw/zinc/37/46/16/397374616.db2.gz	BAKRGDARBFWQHQ-UHFFFAOYSA-N	-1	0	266.217	0.837	40	5		CCBBRM
CN1C(=O)N/C(=C/c2cc([O-])ccc2[N+](=O)[O-])C1=O	ZINC000409189197	276879621	/nfs/dbraw/zinc/87/96/21/276879621.db2.gz	FIOYFOUJNCBSHF-VMPITWQZSA-N	-1	0	263.209	0.823	40	5		CCBBRM
CCOC(=O)c1cn([C@H](C)C(=O)[O-])nc1[N+](=O)[O-]	ZINC000408717302	389376200	/nfs/dbraw/zinc/37/62/00/389376200.db2.gz	YDMCKYSXBZGAAQ-RXMQYKEDSA-N	-1	0	257.202	0.614	40	5		CCBBRM
COc1cc([C@H]([NH3+])CC(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000044197330	175153543	/nfs/dbraw/zinc/15/35/43/175153543.db2.gz	HVWDQBMXQGJLSY-ZCFIWIBFSA-N	-1	0	256.214	0.784	40	5		CCBBRM
O=[N+]([O-])c1ccc([C@H](Nn2cnnc2)[P@](=O)([O-])O)cc1	ZINC000016401190	388790625	/nfs/dbraw/zinc/79/06/25/388790625.db2.gz	UDJOQBAQGVAKHG-SECBINFHSA-N	-1	0	299.183	0.606	40	5		CCBBRM
O=C([O-])Cn1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	ZINC000408716481	389375956	/nfs/dbraw/zinc/37/59/56/389375956.db2.gz	NOGNMCNPGCYFJE-UHFFFAOYSA-N	-1	0	269.135	0.817	40	5		CCBBRM
COc1cc([C@@H]2NCCC(=O)N2)cc([N+](=O)[O-])c1[O-]	ZINC000408737297	389376059	/nfs/dbraw/zinc/37/60/59/389376059.db2.gz	NKSUTONQDCENBB-LLVKDONJSA-N	-1	0	267.241	0.417	40	5		CCBBRM
CC[C@@H](C(=O)[O-])n1cc(C(=O)OC)c([N+](=O)[O-])n1	ZINC000408717094	389376286	/nfs/dbraw/zinc/37/62/86/389376286.db2.gz	VTHBCYPIDGVTQL-LURJTMIESA-N	-1	0	257.202	0.614	40	5		CCBBRM
Cc1c([N+](=O)[O-])/c(=N\[O-])c2c([O-])c([N+](=O)[O-])coc-2[n+]1O	ZINC000104211994	301012411	/nfs/dbraw/zinc/01/24/11/301012411.db2.gz	UZBITJQEJYBSSU-POHAHGRESA-N	-1	0	298.167	0.138	40	5		CCBBRM
COc1ccc([N+](=O)[O-])c2c1CON[C@@]2(C)C(=O)[O-]	ZINC000005105306	295254743	/nfs/dbraw/zinc/25/47/43/295254743.db2.gz	JGXCJRNIPDLCKU-LLVKDONJSA-N	-1	0	268.225	0.938	40	5		CCBBRM
COC(=O)c1[nH]c(=O)c2ccc([N+](=O)[O-])cc2c1[O-]	ZINC000017121374	388790733	/nfs/dbraw/zinc/79/07/33/388790733.db2.gz	IDFGCHRMMYTVHN-UHFFFAOYSA-N	-1	0	264.193	0.929	40	5		CCBBRM
NC(=O)CC[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000034064892	171830449	/nfs/dbraw/zinc/83/04/49/171830449.db2.gz	NBRYAVKKYCYBRR-ZETCQYMHSA-N	-1	0	299.308	0.910	40	5		CCBBRM
COC(=O)c1cn(CCCC(=O)[O-])nc1[N+](=O)[O-]	ZINC000408716986	534302627	/nfs/dbraw/zinc/30/26/27/534302627.db2.gz	UJTPWFYXGPNKKG-UHFFFAOYSA-N	-1	0	257.202	0.443	40	5		CCBBRM
Cc1ncc([N+](=O)[O-])n1CCOC(=O)/C=C\C(=O)[O-]	ZINC000101210480	349661540	/nfs/dbraw/zinc/66/15/40/349661540.db2.gz	BZTICTOXFPBZSX-IHWYPQMZSA-N	-1	0	269.213	0.284	40	5		CCBBRM
O=C([O-])CCNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000020010120	348075842	/nfs/dbraw/zinc/07/58/42/348075842.db2.gz	HWAPJZNXRUDTNB-UHFFFAOYSA-N	-1	0	292.244	0.487	40	5		CCBBRM
O=c1[nH]c2cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c2[nH]1	ZINC000020397424	397374236	/nfs/dbraw/zinc/37/42/36/397374236.db2.gz	DSINZPUOPKKFOV-UHFFFAOYSA-N	-1	0	259.199	0.011	40	5		CCBBRM
O=C([O-])c1cc(C(=O)NCCO)cc([N+](=O)[O-])c1	ZINC000005784048	170139915	/nfs/dbraw/zinc/13/99/15/170139915.db2.gz	CPXQPGXUDGWVSK-UHFFFAOYSA-N	-1	0	254.198	0.015	40	5		CCBBRM
O=C([O-])CNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000021512781	171310777	/nfs/dbraw/zinc/31/07/77/171310777.db2.gz	INWPAJKFFFFSEO-UHFFFAOYSA-N	-1	0	278.217	0.097	40	5		CCBBRM
COC(=O)C(C(=O)OC)=C([O-])Cc1ccccc1[N+](=O)[O-]	ZINC000001630784	347958787	/nfs/dbraw/zinc/95/87/87/347958787.db2.gz	UOOMDFRFBRJBEC-UHFFFAOYSA-N	-1	0	295.247	0.669	40	5		CCBBRM
CC(=O)c1ccc2nc3c(=O)[n-]c(=O)nc-3[nH]c2c1	ZINC000005836145	278250997	/nfs/dbraw/zinc/25/09/97/278250997.db2.gz	WNIUOFRBHOEROX-UHFFFAOYSA-N	-1	0	256.221	0.775	40	5		CCBBRM
O=c1[n-]n2cc(-n3cc([N+](=O)[O-])cn3)cnc2c1[N+](=O)[O-]	ZINC000003178356	304812747	/nfs/dbraw/zinc/81/27/47/304812747.db2.gz	LVANXDSIEANTDJ-UHFFFAOYSA-N	-1	0	291.183	0.437	40	5		CCBBRM
COC(=O)c1cn([C@H](C)CC(=O)[O-])nc1[N+](=O)[O-]	ZINC000408716721	389375798	/nfs/dbraw/zinc/37/57/98/389375798.db2.gz	QFHHYZZDWCLMEO-RXMQYKEDSA-N	-1	0	257.202	0.614	40	5		CCBBRM
COC(=N)NC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000005526076	170108629	/nfs/dbraw/zinc/10/86/29/170108629.db2.gz	FADVDISAHANMRL-UHFFFAOYSA-N	-1	0	267.197	0.604	40	5		CCBBRM
COc1ccc([N+](=O)[O-])c2c1CON[C@]2(C)C(=O)[O-]	ZINC000016973839	295254694	/nfs/dbraw/zinc/25/46/94/295254694.db2.gz	JGXCJRNIPDLCKU-NSHDSACASA-N	-1	0	268.225	0.938	40	5		CCBBRM
C[C@@H](C(=O)[O-])n1cc(-n2cc([N+](=O)[O-])cn2)cn1	ZINC000685936736	570388566	/nfs/dbraw/zinc/38/85/66/570388566.db2.gz	URWVQNKJAINYKC-LURJTMIESA-N	-1	0	251.202	0.623	40	5		CCBBRM
O=C([O-])CNC(=O)CNSc1ccccc1[N+](=O)[O-]	ZINC000033679829	348147291	/nfs/dbraw/zinc/14/72/91/348147291.db2.gz	YMUMNRVFERQUCZ-UHFFFAOYSA-N	-1	0	285.281	0.392	40	5		CCBBRM
CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2[O-])C1=O	ZINC000409191636	389377175	/nfs/dbraw/zinc/37/71/75/389377175.db2.gz	ZRXREQWYUSOIPH-VMPITWQZSA-N	-1	0	263.209	0.823	40	5		CCBBRM
C[C@@H](OC(=O)N[C@@H](CO)C(=O)[O-])c1ccccc1[N+](=O)[O-]	ZINC000096118919	185102251	/nfs/dbraw/zinc/10/22/51/185102251.db2.gz	VLTUKZSEJOZWJB-APPZFPTMSA-N	-1	0	298.251	0.828	40	5		CCBBRM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nnc[nH]2)c1	ZINC000005681517	170127928	/nfs/dbraw/zinc/12/79/28/170127928.db2.gz	KUAVGMVMPZQYQR-UHFFFAOYSA-N	-1	0	269.242	0.514	40	5		CCBBRM
Cn1cc(-c2nn(CC(=O)[O-])cc2[N+](=O)[O-])cn1	ZINC000020428410	171193999	/nfs/dbraw/zinc/19/39/99/171193999.db2.gz	NKJVBQRIKNMPCL-UHFFFAOYSA-N	-1	0	251.202	0.276	40	5		CCBBRM
O=Cc1ccc2c(c1)[n+]([O-])c1ccc([O-])cc1[n+]2[O-]	ZINC000003843482	347986091	/nfs/dbraw/zinc/98/60/91/347986091.db2.gz	SNUFGERCULHWFJ-UHFFFAOYSA-N	-1	0	256.217	0.778	40	5		CCBBRM
CNc1nn(-c2ccc([N+](=O)[O-])cc2)nc1C(=O)[O-]	ZINC000256048218	352547005	/nfs/dbraw/zinc/54/70/05/352547005.db2.gz	RLYQMMLHAYYXQA-UHFFFAOYSA-N	-1	0	263.213	0.915	40	5		CCBBRM
O=C([O-])c1nc2ncc(-c3n[nH]cc3[N+](=O)[O-])cn2n1	ZINC000003097413	304283779	/nfs/dbraw/zinc/28/37/79/304283779.db2.gz	DAERYNOOOLVDQM-UHFFFAOYSA-N	-1	0	275.184	0.121	40	5		CCBBRM
Nc1[n-]c(=O)c(I)cc1[N+](=O)[O-]	ZINC000038314692	388849972	/nfs/dbraw/zinc/84/99/72/388849972.db2.gz	YPSCFDIDAMTMKR-UHFFFAOYSA-N	-1	0	281.009	0.470	40	5		CCBBRM
C[S@@](=O)c1ccc(NCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000005587094	170116523	/nfs/dbraw/zinc/11/65/23/170116523.db2.gz	NYRKKZQZTGUCMM-KRWDZBQOSA-N	-1	0	258.255	0.829	40	5		CCBBRM
O=C([O-])c1cnn2cc(-c3n[nH]cc3[N+](=O)[O-])cnc12	ZINC000006445063	170202050	/nfs/dbraw/zinc/20/20/50/170202050.db2.gz	WXRKKDNIWKAJDH-UHFFFAOYSA-N	-1	0	274.196	0.726	40	5		CCBBRM
Cn1nc([N+](=O)[O-])c(I)c1C(=O)[O-]	ZINC000072339370	303044577	/nfs/dbraw/zinc/04/45/77/303044577.db2.gz	JUNBDIQIHUXZPA-UHFFFAOYSA-N	-1	0	297.008	0.631	40	5		CCBBRM
C[C@H](Cn1cc(-n2cc([N+](=O)[O-])cn2)cn1)C(=O)[O-]	ZINC000685936780	570388563	/nfs/dbraw/zinc/38/85/63/570388563.db2.gz	YEUYKVCFVZZVSG-SSDOTTSWSA-N	-1	0	265.229	0.698	40	5		CCBBRM
O=C([O-])[C@@H]1C(=O)Oc2c(cccc2[N+](=O)[O-])[C@@H]1O	ZINC000001705134	304097473	/nfs/dbraw/zinc/09/74/73/304097473.db2.gz	QTLKWSZXEBWSAU-RQJHMYQMSA-N	-1	0	253.166	0.248	40	5		CCBBRM
CCOC(=O)c1c(O)nn(-c2ccccc2[N+](=O)[O-])c1[O-]	ZINC000100998713	349660592	/nfs/dbraw/zinc/66/05/92/349660592.db2.gz	AWPLWBDIIFKTRU-UHFFFAOYSA-N	-1	0	293.235	0.956	40	5		CCBBRM
Cc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])n1	ZINC000006422421	348004575	/nfs/dbraw/zinc/00/45/75/348004575.db2.gz	DELDPFUTWUCFBP-WAYWQWQTSA-N	-1	0	274.236	0.845	40	5		CCBBRM
COc1cccc2c1[n+]([O-])c1cccc([O-])c1[n+]2[O-]	ZINC000005640188	295343024	/nfs/dbraw/zinc/34/30/24/295343024.db2.gz	JIDVGUQUQSOHOL-UHFFFAOYSA-N	-1	0	258.233	0.974	40	5	in-man	CCBBRM
CCn1cc([N+](=O)[O-])c(-n2ccc(C(=O)[O-])n2)n1	ZINC000253393509	352532024	/nfs/dbraw/zinc/53/20/24/352532024.db2.gz	QTCVGJDRQZCHFP-UHFFFAOYSA-N	-1	0	251.202	0.695	40	5		CCBBRM
O=C([O-])Cn1cc([N+](=O)[O-])c(OCC(F)F)n1	ZINC000408715835	534509696	/nfs/dbraw/zinc/50/96/96/534509696.db2.gz	FMBIMRYECGXPLS-UHFFFAOYSA-N	-1	0	251.145	0.520	40	5		CCBBRM
O=C([O-])CNC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000001610323	347957607	/nfs/dbraw/zinc/95/76/07/347957607.db2.gz	SXMBCMOFXBZZHH-UHFFFAOYSA-N	-1	0	291.219	0.460	40	5		CCBBRM
O=[N+]([O-])c1nc(S(=O)(=O)Cc2ccccc2)n[n-]1	ZINC000059488840	348638157	/nfs/dbraw/zinc/63/81/57/348638157.db2.gz	XZHAOGLJXOPHSY-UHFFFAOYSA-N	-1	0	268.254	0.687	40	5		CCBBRM
Cc1cc(C(=O)[O-])nn1Cn1ccc([N+](=O)[O-])n1	ZINC000072220975	256706309	/nfs/dbraw/zinc/70/63/09/256706309.db2.gz	PPTYTFLVDPVRIT-UHFFFAOYSA-N	-1	0	251.202	0.500	40	5		CCBBRM
O=C([O-])Cc1c[nH]c(=O)n(-c2cccc([N+](=O)[O-])c2)c1=O	ZINC000020156455	171039328	/nfs/dbraw/zinc/03/93/28/171039328.db2.gz	ZNYBOSLZZMKWRI-UHFFFAOYSA-N	-1	0	291.219	0.061	40	5		CCBBRM
O=C([O-])CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000001675884	304069262	/nfs/dbraw/zinc/06/92/62/304069262.db2.gz	PJZXWXFIUIDMBP-UHFFFAOYSA-N	-1	0	269.169	0.317	40	5		CCBBRM
C[C@H](OC(=O)N[C@@H](CO)C(=O)[O-])c1ccccc1[N+](=O)[O-]	ZINC000096118918	185102032	/nfs/dbraw/zinc/10/20/32/185102032.db2.gz	VLTUKZSEJOZWJB-CBAPKCEASA-N	-1	0	298.251	0.828	40	5		CCBBRM
CCCn1c2ccccc2[n+]([O-])c2c(=O)[n-]c(=O)nc1-2	ZINC000001563420	347955966	/nfs/dbraw/zinc/95/59/66/347955966.db2.gz	SPMGJJSJUNMUOS-UHFFFAOYSA-N	-1	0	272.264	0.233	40	5		CCBBRM
Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1S(=O)(=O)[O-]	ZINC000004522678	388758915	/nfs/dbraw/zinc/75/89/15/388758915.db2.gz	CDHBWSKXNYYXPJ-UHFFFAOYSA-N	-1	0	263.187	0.332	40	5		CCBBRM
COc1cc([C@@H]([NH3+])CC(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000044197332	175153299	/nfs/dbraw/zinc/15/32/99/175153299.db2.gz	HVWDQBMXQGJLSY-LURJTMIESA-N	-1	0	256.214	0.784	40	5		CCBBRM
CNc1nn(-c2ccccc2[N+](=O)[O-])nc1C(=O)[O-]	ZINC000256045974	352546384	/nfs/dbraw/zinc/54/63/84/352546384.db2.gz	CAPZKDZWUUEANK-UHFFFAOYSA-N	-1	0	263.213	0.915	40	5		CCBBRM
O=c1nc2n(CCO)c3ccccc3cc-2c(=O)[n-]1	ZINC000001703515	388754816	/nfs/dbraw/zinc/75/48/16/388754816.db2.gz	HJQPCTOFNISCCQ-UHFFFAOYSA-N	-1	0	257.249	0.182	40	5		CCBBRM
CS(=O)(=O)C(CO)=C([O-])c1ccc([N+](=O)[O-])cc1	ZINC000096518748	389063249	/nfs/dbraw/zinc/06/32/49/389063249.db2.gz	LUAYAGQQQDAPFQ-VIFPVBQESA-N	-1	0	273.266	0.183	40	5		CCBBRM
O=C([N-]N1C(=O)CCC1=O)c1ccccc1[N+](=O)[O-]	ZINC000059947077	262391050	/nfs/dbraw/zinc/39/10/50/262391050.db2.gz	VVJVLKGJUZRCCJ-UHFFFAOYSA-N	-1	0	263.209	0.389	40	5		CCBBRM
C=Cn1nnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1	ZINC000010119607	348015055	/nfs/dbraw/zinc/01/50/55/348015055.db2.gz	HJHIBIMXNICDNF-UHFFFAOYSA-N	-1	0	250.174	0.527	40	5		CCBBRM
CCS(=O)(=O)C(CO)=C([O-])c1ccc([N+](=O)[O-])cc1	ZINC000096518797	389063258	/nfs/dbraw/zinc/06/32/58/389063258.db2.gz	PSWLIHBDINUPKD-SNVBAGLBSA-N	-1	0	287.293	0.573	40	5		CCBBRM
Nn1cnnc1Sc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000070462341	175943840	/nfs/dbraw/zinc/94/38/40/175943840.db2.gz	XIKFFJGBPZTFDO-UHFFFAOYSA-N	-1	0	281.253	0.750	40	5		CCBBRM
O=C(CSCCO)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000408545226	389374848	/nfs/dbraw/zinc/37/48/48/389374848.db2.gz	ZSLMIXLNCOOMTD-UHFFFAOYSA-N	-1	0	272.282	0.964	40	5		CCBBRM
O=C([O-])c1nn(-c2ncccc2Cl)nc1[N+](=O)[O-]	ZINC000089261869	304285064	/nfs/dbraw/zinc/28/50/64/304285064.db2.gz	KEINAAQDDSLUCN-UHFFFAOYSA-N	-1	0	269.604	0.922	40	5		CCBBRM
C[C@]1(C(=O)[O-])Nc2ccc([N+](=O)[O-])cc2OC1=O	ZINC000096298957	389058587	/nfs/dbraw/zinc/05/85/87/389058587.db2.gz	DSXWRMIGFVEQMO-SNVBAGLBSA-N	-1	0	252.182	0.769	40	5		CCBBRM
O=C([O-])CN1C(=O)N/C(=C/c2ccccc2[N+](=O)[O-])C1=O	ZINC000408590347	389374838	/nfs/dbraw/zinc/37/48/38/389374838.db2.gz	GFCOJFZOMULXOG-VMPITWQZSA-N	-1	0	291.219	0.572	40	5		CCBBRM
CC(=O)N[C@H](COCC(=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC000085650620	278176063	/nfs/dbraw/zinc/17/60/63/278176063.db2.gz	FNKPUJDFUDQSBY-LLVKDONJSA-N	-1	0	282.252	0.873	40	5		CCBBRM
O=C([O-])CN1C(=O)N/C(=C/c2ccc([N+](=O)[O-])o2)C1=O	ZINC000408595370	230407318	/nfs/dbraw/zinc/40/73/18/230407318.db2.gz	WMHDEEVPSPAMAW-ZZXKWVIFSA-N	-1	0	281.180	0.165	40	5		CCBBRM
O=C([O-])c1cc2ncc(-n3cc([N+](=O)[O-])cn3)cn2n1	ZINC000000049635	304229932	/nfs/dbraw/zinc/22/99/32/304229932.db2.gz	OZIVHXXZQWCEOT-UHFFFAOYSA-N	-1	0	274.196	0.521	40	5		CCBBRM
O=C([O-])CCn1cc(-n2cc([N+](=O)[O-])cn2)cn1	ZINC000685936506	567104347	/nfs/dbraw/zinc/10/43/47/567104347.db2.gz	CBOOQQXDKRJJIH-UHFFFAOYSA-N	-1	0	251.202	0.452	40	5		CCBBRM
O=C([O-])C1=Nc2ncnn2[C@@H](c2ccc([N+](=O)[O-])o2)C1	ZINC000102278207	349676899	/nfs/dbraw/zinc/67/68/99/349676899.db2.gz	MTKFJAAUWRXFKM-ZCFIWIBFSA-N	-1	0	277.196	0.763	40	5		CCBBRM
Cc1ccc(S(=O)(=O)[N-][N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000196434573	351920610	/nfs/dbraw/zinc/92/06/10/351920610.db2.gz	VYQGFMNYNIILBD-UHFFFAOYSA-N	-1	0	261.215	0.373	40	5		CCBBRM
CNc1nn(-c2cccc([N+](=O)[O-])c2)nc1C(=O)[O-]	ZINC000256048614	352547526	/nfs/dbraw/zinc/54/75/26/352547526.db2.gz	UUKMJKPYHXZMCO-UHFFFAOYSA-N	-1	0	263.213	0.915	40	5		CCBBRM
NN1C(=S)N=NC1c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000025574051	303506829	/nfs/dbraw/zinc/50/68/29/303506829.db2.gz	DMJQTVSWUADETG-UHFFFAOYSA-N	-1	0	298.240	0.470	40	5		CCBBRM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2nn[nH]n2)c([N+](=O)[O-])c1	ZINC000104336946	389082049	/nfs/dbraw/zinc/08/20/49/389082049.db2.gz	LDUGDTZPAZAOTM-UHFFFAOYSA-N	-1	0	296.159	0.668	40	5		CCBBRM
O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c(-n2cnnc2)c1	ZINC000216752364	304801173	/nfs/dbraw/zinc/80/11/73/304801173.db2.gz	KQXHEDCBOINLIJ-UHFFFAOYSA-N	-1	0	251.158	0.789	40	5		CCBBRM
C[C@@H](O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000001685562	169741494	/nfs/dbraw/zinc/74/14/94/169741494.db2.gz	VBNQFMDAUUHCAE-HZGVNTEJSA-N	-1	0	268.225	0.159	40	5		CCBBRM
Cn1nncc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001865642	303109900	/nfs/dbraw/zinc/10/99/00/303109900.db2.gz	IRFINVDNJCFRIK-UHFFFAOYSA-N	-1	0	283.269	0.524	40	5		CCBBRM
O=[N+]([O-])c1ccc(N2CCOCC2)c(S(=O)(=O)[O-])c1	ZINC000005234602	304803217	/nfs/dbraw/zinc/80/32/17/304803217.db2.gz	CCDVXIZHZZZDSV-UHFFFAOYSA-N	-1	0	288.281	0.678	40	5		CCBBRM
O=C([O-])[C@@H](Cc1cccc([N+](=O)[O-])c1)N1CCOCC1	ZINC000057577484	348612414	/nfs/dbraw/zinc/61/24/14/348612414.db2.gz	NZUAFJAYXSJMQP-GFCCVEGCSA-N	-1	0	280.280	0.923	40	5		CCBBRM
COC(=O)c1cn(C[C@H](C)C(=O)[O-])nc1[N+](=O)[O-]	ZINC000408716190	389375889	/nfs/dbraw/zinc/37/58/89/389375889.db2.gz	JUVJAJMKFDVRDY-YFKPBYRVSA-N	-1	0	257.202	0.299	40	5		CCBBRM
CCOC(=O)c1cn(C[C@H](C)C(=O)[O-])nc1[N+](=O)[O-]	ZINC000408716035	389375950	/nfs/dbraw/zinc/37/59/50/389375950.db2.gz	IFLZUZIGPQOFLG-LURJTMIESA-N	-1	0	271.229	0.689	40	5		CCBBRM
COC(=O)C(C(=O)OC)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000039046438	174161651	/nfs/dbraw/zinc/16/16/51/174161651.db2.gz	LPWHGVILSZJCQD-UHFFFAOYSA-N	-1	0	297.219	0.723	40	5		CCBBRM
O=C([O-])c1c(Cl)cc(-n2cnnn2)cc1[N+](=O)[O-]	ZINC000408976521	304217048	/nfs/dbraw/zinc/21/70/48/304217048.db2.gz	FVBVDTGZKWOIQJ-UHFFFAOYSA-N	-1	0	269.604	0.922	40	5		CCBBRM
O=C([O-])[C@@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2)C1	ZINC000045958694	175389636	/nfs/dbraw/zinc/38/96/36/175389636.db2.gz	BIYBOOPCVDQEHB-SECBINFHSA-N	-1	0	293.279	0.940	40	5		CCBBRM
CS(=O)(=O)C(CO)=C([O-])c1ccc([N+](=O)[O-])cc1	ZINC000096518749	389063461	/nfs/dbraw/zinc/06/34/61/389063461.db2.gz	LUAYAGQQQDAPFQ-SECBINFHSA-N	-1	0	273.266	0.183	40	5		CCBBRM
C[S@](=O)c1ccc(NCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000005587095	170116472	/nfs/dbraw/zinc/11/64/72/170116472.db2.gz	NYRKKZQZTGUCMM-QGZVFWFLSA-N	-1	0	258.255	0.829	40	5		CCBBRM
CCOC(=O)c1cn(C[C@@H](C)C(=O)[O-])nc1[N+](=O)[O-]	ZINC000408716036	389375751	/nfs/dbraw/zinc/37/57/51/389375751.db2.gz	IFLZUZIGPQOFLG-ZCFIWIBFSA-N	-1	0	271.229	0.689	40	5		CCBBRM
CCS(=O)(=O)C(CO)=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000096518802	389063229	/nfs/dbraw/zinc/06/32/29/389063229.db2.gz	WIFWDUCGLJDYKF-JTQLQIEISA-N	-1	0	287.293	0.573	40	5		CCBBRM
COC(=O)c1cn([C@@H](C)CC(=O)[O-])nc1[N+](=O)[O-]	ZINC000408716722	389375882	/nfs/dbraw/zinc/37/58/82/389375882.db2.gz	QFHHYZZDWCLMEO-YFKPBYRVSA-N	-1	0	257.202	0.614	40	5		CCBBRM
COc1cc([C@H]2NCCC(=O)N2)cc([N+](=O)[O-])c1[O-]	ZINC000408737301	389376040	/nfs/dbraw/zinc/37/60/40/389376040.db2.gz	NKSUTONQDCENBB-NSHDSACASA-N	-1	0	267.241	0.417	40	5		CCBBRM
Cc1ccc2[nH]c3nc(=O)[n-]c(=O)c-3c(C(N)=O)c2c1	ZINC000001580881	301927851	/nfs/dbraw/zinc/92/78/51/301927851.db2.gz	UYDOPBARPVIHFP-UHFFFAOYSA-N	-1	0	270.248	0.172	40	5		CCBBRM
O=C([O-])CCCn1cc(-n2cc([N+](=O)[O-])cn2)cn1	ZINC000685936752	570388442	/nfs/dbraw/zinc/38/84/42/570388442.db2.gz	VKDMYSPARCRCON-UHFFFAOYSA-N	-1	0	265.229	0.842	40	5		CCBBRM
C[C@H](O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000001685559	347960830	/nfs/dbraw/zinc/96/08/30/347960830.db2.gz	VBNQFMDAUUHCAE-RCOVLWMOSA-N	-1	0	268.225	0.159	40	5		CCBBRM
O=C([O-])CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000019507755	348063350	/nfs/dbraw/zinc/06/33/50/348063350.db2.gz	VSMDRADZJJJEOH-SNAWJCMRSA-N	-1	0	250.210	0.809	40	5		CCBBRM
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(CCO)c2cc1C	ZINC000001666569	301463005	/nfs/dbraw/zinc/46/30/05/301463005.db2.gz	MYNIJFMVMJFIPZ-UHFFFAOYSA-N	-1	0	286.291	0.194	40	5		CCBBRM
Cn1c(=O)c2c(nc3ccccc3c2C(=O)[O-])n(C)c1=O	ZINC000616580901	365374627	/nfs/dbraw/zinc/37/46/27/365374627.db2.gz	FTEREAKRFOLNSK-UHFFFAOYSA-N	-1	0	285.259	0.484	40	5		CCBBRM
O=C([O-])[C@H]1C(=O)Oc2c(cccc2[N+](=O)[O-])[C@H]1O	ZINC000001705137	304174300	/nfs/dbraw/zinc/17/43/00/304174300.db2.gz	QTLKWSZXEBWSAU-NKWVEPMBSA-N	-1	0	253.166	0.248	40	5		CCBBRM
C/C(=C/C(=O)[O-])C(=O)OCCn1c(C)ncc1[N+](=O)[O-]	ZINC000101210481	389072469	/nfs/dbraw/zinc/07/24/69/389072469.db2.gz	QNDCHLIEACAHHF-ALCCZGGFSA-N	-1	0	283.240	0.674	40	5		CCBBRM
CN1C(=O)N/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409191748	389376605	/nfs/dbraw/zinc/37/66/05/389376605.db2.gz	MDFQCXAMQLAZFN-QPJJXVBHSA-N	-1	0	263.209	0.823	40	5		CCBBRM
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C)c2cc1C=O	ZINC000013813283	301462567	/nfs/dbraw/zinc/46/25/67/301462567.db2.gz	JDEMVNYMYPJJIM-UHFFFAOYSA-N	-1	0	270.248	0.243	40	5	aggregator,in-vitro	CCBBRM
COC(=O)C(C(=O)OC)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000096298544	389058778	/nfs/dbraw/zinc/05/87/78/389058778.db2.gz	WPLWCNRGSGEDSC-UHFFFAOYSA-N	-1	0	297.219	0.723	40	5		CCBBRM
COc1cc(/C=C2/NC(=O)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409191396	389377205	/nfs/dbraw/zinc/37/72/05/389377205.db2.gz	GMEBOVKTIQJGTD-XVNBXDOJSA-N	-1	0	293.235	0.832	40	5		CCBBRM
O=c1nc2oc3ccc([N+](=O)[O-])cc3cc-2c(=O)[n-]1	ZINC000005531167	304819482	/nfs/dbraw/zinc/81/94/82/304819482.db2.gz	CVIGXPUOFJNIAH-UHFFFAOYSA-N	-1	0	259.177	0.889	40	5		CCBBRM
CCOC(=O)c1cn(CCC(=O)[O-])nc1[N+](=O)[O-]	ZINC000408715436	528284538	/nfs/dbraw/zinc/28/45/38/528284538.db2.gz	BHTJATUUVSJEJI-UHFFFAOYSA-N	-1	0	257.202	0.443	40	5		CCBBRM
C[C@@H](O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000001685560	347960820	/nfs/dbraw/zinc/96/08/20/347960820.db2.gz	VBNQFMDAUUHCAE-MUWHJKNJSA-N	-1	0	268.225	0.159	40	5		CCBBRM
CS(=O)(=O)C(CO)=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000096518754	389063333	/nfs/dbraw/zinc/06/33/33/389063333.db2.gz	PBQYCWZMIBLVEU-VIFPVBQESA-N	-1	0	273.266	0.183	40	5		CCBBRM
O=C([O-])CN1C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000408593695	389375357	/nfs/dbraw/zinc/37/53/57/389375357.db2.gz	NDPIVANAGMQNTF-WEVVVXLNSA-N	-1	0	291.219	0.572	40	5		CCBBRM
O=C([O-])c1nn(-c2ccc(Cl)cn2)nc1[N+](=O)[O-]	ZINC000089263473	304284520	/nfs/dbraw/zinc/28/45/20/304284520.db2.gz	NCBKEOZNTCBYTP-UHFFFAOYSA-N	-1	0	269.604	0.922	40	5		CCBBRM
O=c1[n-]n2cc(-c3n[nH]cc3[N+](=O)[O-])cnc2c1[N+](=O)[O-]	ZINC000008742132	304798664	/nfs/dbraw/zinc/79/86/64/304798664.db2.gz	ZYRMQWALGJRJBB-UHFFFAOYSA-N	-1	0	291.183	0.641	40	5		CCBBRM
COC(=O)CCC(CCC(=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000019319530	388792367	/nfs/dbraw/zinc/79/23/67/388792367.db2.gz	KJDCVSYNHWFJFK-UHFFFAOYSA-N	-1	0	264.190	0.054	40	5		CCBBRM
O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCOCC1	ZINC000016385582	388789130	/nfs/dbraw/zinc/78/91/30/388789130.db2.gz	MIFVEOWFWLZHNV-UHFFFAOYSA-N	-1	0	252.226	0.773	40	5		CCBBRM
CN(C)S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000006878690	170251634	/nfs/dbraw/zinc/25/16/34/170251634.db2.gz	INWXUOFWTSUPFC-UHFFFAOYSA-N	-1	0	290.257	0.721	40	5		CCBBRM
C[C@H](C(=O)[O-])n1cc(-n2cc([N+](=O)[O-])cn2)cn1	ZINC000685936737	570388498	/nfs/dbraw/zinc/38/84/98/570388498.db2.gz	URWVQNKJAINYKC-ZCFIWIBFSA-N	-1	0	251.202	0.623	40	5		CCBBRM
O=C([O-])CCS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000000036694	347936627	/nfs/dbraw/zinc/93/66/27/347936627.db2.gz	WGTYUWGXSFFWOI-UHFFFAOYSA-N	-1	0	259.239	0.843	40	5		CCBBRM
COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1[N+](=O)[O-]	ZINC000108653716	186225396	/nfs/dbraw/zinc/22/53/96/186225396.db2.gz	FCUJTOMRWIVPFB-QPJJXVBHSA-N	-1	0	263.209	0.784	40	5		CCBBRM
O=[N+]([O-])c1ccc([C@@H](Nn2cnnc2)[P@](=O)([O-])O)cc1	ZINC000016401192	388790324	/nfs/dbraw/zinc/79/03/24/388790324.db2.gz	UDJOQBAQGVAKHG-VIFPVBQESA-N	-1	0	299.183	0.606	40	5		CCBBRM
CC[C@H](C(=O)[O-])n1cc(C(=O)OC)c([N+](=O)[O-])n1	ZINC000408717095	389375943	/nfs/dbraw/zinc/37/59/43/389375943.db2.gz	VTHBCYPIDGVTQL-ZCFIWIBFSA-N	-1	0	257.202	0.614	40	5		CCBBRM
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O=C([O-])Cc1nn(CC(F)(F)F)cc1[N+](=O)[O-]	ZINC000072209702	176342663	/nfs/dbraw/zinc/34/26/63/176342663.db2.gz	VDWVYVSMRBCXHJ-UHFFFAOYSA-N	-1	0	253.136	0.981	40	5		CCBBRM
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CS(=O)(=O)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000096532825	389065597	/nfs/dbraw/zinc/06/55/97/389065597.db2.gz	TUYVDFWOWSMHKG-UHFFFAOYSA-N	-1	0	259.239	0.838	40	5		CCBBRM
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/NC(=O)[N-]C1=O	ZINC000409053950	389376860	/nfs/dbraw/zinc/37/68/60/389376860.db2.gz	DZDNXBWFFTYXLU-XVNBXDOJSA-N	-1	0	293.235	0.792	40	5		CCBBRM
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C[C@@](CO)(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000008627244	170343267	/nfs/dbraw/zinc/34/32/67/170343267.db2.gz	NLIQVESFXLKBRF-JTQLQIEISA-N	-1	0	285.212	0.751	40	5		CCBBRM
COc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1[N+](=O)[O-]	ZINC000005514431	170106928	/nfs/dbraw/zinc/10/69/28/170106928.db2.gz	FCUJTOMRWIVPFB-DAXSKMNVSA-N	-1	0	263.209	0.784	40	5		CCBBRM
CNC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000005437632	170099139	/nfs/dbraw/zinc/09/91/39/170099139.db2.gz	ODAKRJHFCTVSDK-UHFFFAOYSA-N	-1	0	259.243	0.213	40	5		CCBBRM
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Cc1nn(CCc2noc(C(=O)[O-])n2)c(C)c1[N+](=O)[O-]	ZINC000012399145	388783167	/nfs/dbraw/zinc/78/31/67/388783167.db2.gz	LOXCSRKESCNGME-UHFFFAOYSA-N	-1	0	281.228	0.732	40	5		CCBBRM
C[C@@]1(C(=O)[O-])Nc2ccc([N+](=O)[O-])cc2OC1=O	ZINC000096298956	389058604	/nfs/dbraw/zinc/05/86/04/389058604.db2.gz	DSXWRMIGFVEQMO-JTQLQIEISA-N	-1	0	252.182	0.769	40	5		CCBBRM
COC(=O)c1cn(C[C@@H](C)C(=O)[O-])nc1[N+](=O)[O-]	ZINC000408716189	389375968	/nfs/dbraw/zinc/37/59/68/389375968.db2.gz	JUVJAJMKFDVRDY-RXMQYKEDSA-N	-1	0	257.202	0.299	40	5		CCBBRM
C[C@](CO)(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000004824527	170024514	/nfs/dbraw/zinc/02/45/14/170024514.db2.gz	NLIQVESFXLKBRF-SNVBAGLBSA-N	-1	0	285.212	0.751	40	5		CCBBRM
O=C([O-])[C@@H]1C(=O)Oc2c(cccc2[N+](=O)[O-])[C@H]1O	ZINC000001705135	304097183	/nfs/dbraw/zinc/09/71/83/304097183.db2.gz	QTLKWSZXEBWSAU-RNFRBKRXSA-N	-1	0	253.166	0.248	40	5		CCBBRM
CCn1cc([N+](=O)[O-])c(-n2cc(C(=O)[O-])cn2)n1	ZINC000253402282	189988812	/nfs/dbraw/zinc/98/88/12/189988812.db2.gz	OCKWVSXCOUAZPE-UHFFFAOYSA-N	-1	0	251.202	0.695	40	5		CCBBRM
CCOC(=O)c1cn(CCCC(=O)[O-])nc1[N+](=O)[O-]	ZINC000408717076	528283756	/nfs/dbraw/zinc/28/37/56/528283756.db2.gz	VNFNAYJSXZRGME-UHFFFAOYSA-N	-1	0	271.229	0.833	40	5		CCBBRM
Cn1nc(C(=O)[O-])c(I)c1[N+](=O)[O-]	ZINC000072339368	303042922	/nfs/dbraw/zinc/04/29/22/303042922.db2.gz	JBDRKUAXLMZKEB-UHFFFAOYSA-N	-1	0	297.008	0.631	40	5		CCBBRM
COC(=O)c1cn(C(C)(C)C(=O)[O-])nc1[N+](=O)[O-]	ZINC000408715247	534301407	/nfs/dbraw/zinc/30/14/07/534301407.db2.gz	AECZHJKRBGCFAB-UHFFFAOYSA-N	-1	0	257.202	0.398	40	5		CCBBRM
COc1cc([N+](=O)[O-])cc(/C=C2/NC(=S)NC2=O)c1[O-]	ZINC000100931114	349660064	/nfs/dbraw/zinc/66/00/64/349660064.db2.gz	BBKOXHZSNGEVIX-XVNBXDOJSA-N	-1	0	295.276	0.654	40	5		CCBBRM
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CCS(=O)(=O)C(CO)=C([O-])c1ccc([N+](=O)[O-])cc1	ZINC000096518796	389063277	/nfs/dbraw/zinc/06/32/77/389063277.db2.gz	PSWLIHBDINUPKD-JTQLQIEISA-N	-1	0	287.293	0.573	40	5		CCBBRM
CCOC(=O)c1cn([C@@H](C)C(=O)[O-])nc1[N+](=O)[O-]	ZINC000408717303	528283993	/nfs/dbraw/zinc/28/39/93/528283993.db2.gz	YDMCKYSXBZGAAQ-YFKPBYRVSA-N	-1	0	257.202	0.614	40	5		CCBBRM
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CCS(=O)(=O)C(CO)=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000096518803	389063351	/nfs/dbraw/zinc/06/33/51/389063351.db2.gz	WIFWDUCGLJDYKF-SNVBAGLBSA-N	-1	0	287.293	0.573	40	5		CCBBRM