smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[NH3+]	ZINC000079420840	370657282	/nfs/dbraw/zinc/65/72/82/370657282.db2.gz	BJEKIQZIYYTEFS-UHFFFAOYSA-N	1	0	237.259	0.902	40	5		BCBBRO
C[NH+](C)[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000002561228	371586050	/nfs/dbraw/zinc/58/60/50/371586050.db2.gz	WKFXOUSFZMOKOH-QWRGUYRKSA-N	1	0	240.259	0.551	40	5		BCBBRO
c1ccc(CC[N+]23CN4CN(CN(C4)C2)C3)cc1	ZINC000019319178	183394870	/nfs/dbraw/zinc/39/48/70/183394870.db2.gz	WMWGBUKWWCYBDD-UHFFFAOYSA-N	1	0	245.350	0.738	40	5		BCBBRO
CN(CC[NH3+])Cc1ccc([N+](=O)[O-])cc1	ZINC000054416840	383842411	/nfs/dbraw/zinc/84/24/11/383842411.db2.gz	HWRLSVUQBCNZRM-UHFFFAOYSA-N	1	0	209.249	0.985	40	5		BCBBRO
CC(C)Oc1nn(CCC[NH3+])cc1[N+](=O)[O-]	ZINC000408716532	384352474	/nfs/dbraw/zinc/35/24/74/384352474.db2.gz	NXQLGIKJMRGBDM-UHFFFAOYSA-N	1	0	228.252	0.927	40	5		BCBBRO
O=[N+]([O-])c1ccc(OC[C@@H]2C[NH2+]CCO2)cc1	ZINC000083860201	384910795	/nfs/dbraw/zinc/91/07/95/384910795.db2.gz	UFWMAKQTLPXLGR-NSHDSACASA-N	1	0	238.243	0.962	40	5		BCBBRO
O=[N+]([O-])[C@@H]1CCN(Cc2ccccc2)[C@H]1O	ZINC000013535499	346950994	/nfs/dbraw/zinc/95/09/94/346950994.db2.gz	GJSZKSQTYVGJMO-MNOVXSKESA-N	1	0	222.244	0.856	40	5		BCBBRO
O=[N+]([O-])c1ccc([C@H]2C[NH2+]CCN2)cc1	ZINC000004203756	372165817	/nfs/dbraw/zinc/16/58/17/372165817.db2.gz	WWRUGVIJFUXWFW-SNVBAGLBSA-N	1	0	207.233	0.829	40	5		BCBBRO
C[N+]1([C@H]2C[C@H]3CC[C@@H]2C3=O)CCOCC1	ZINC000005029992	384095769	/nfs/dbraw/zinc/09/57/69/384095769.db2.gz	ZYOJMOBGJMTZFJ-VWYCJHECSA-N	1	0	210.297	0.831	40	5		BCBBRO
O=c1cc[n+](O)c(-c2cccc([N+](=O)[O-])c2)[nH]1	ZINC000226825227	388355287	/nfs/dbraw/zinc/35/52/87/388355287.db2.gz	UVWUPAMZVSJYIJ-UHFFFAOYSA-N	1	0	233.183	0.584	40	5		BCBBRO
[NH3+]CCn1cc(Br)c([N+](=O)[O-])n1	ZINC000020313062	388762379	/nfs/dbraw/zinc/76/23/79/388762379.db2.gz	BMRBHYUIDPCRLU-UHFFFAOYSA-N	1	0	235.041	0.513	40	5		BCBBRO
C[N+](C)(C)CCOC(=O)C=Cc1c[nH]cn1	ZINC000013283631	398088154	/nfs/dbraw/zinc/08/81/54/398088154.db2.gz	XDPGNNXEHPAHCJ-UHFFFAOYSA-O	1	0	224.284	0.672	40	5		BCBBRO
CC(C)=CC[N+]12CN3CN(CN(C3)C1)C2	ZINC000019319186	187251850	/nfs/dbraw/zinc/25/18/50/187251850.db2.gz	JJTRKLBQLPXCQW-UHFFFAOYSA-N	1	0	209.317	0.461	40	5		BCBBRO
O=[N+]([O-])[C@H]1CCN(Cc2ccccc2)[C@@H]1O	ZINC000013535487	343520677	/nfs/dbraw/zinc/52/06/77/343520677.db2.gz	GJSZKSQTYVGJMO-WDEREUQCSA-N	1	0	222.244	0.856	40	5		BCBBRO
C[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000037668483	364457546	/nfs/dbraw/zinc/45/75/46/364457546.db2.gz	XELDMMLRFWNMOD-ZETCQYMHSA-N	1	0	223.232	0.558	40	5		BCBBRO
O=[N+]([O-])c1ccc([C@@H]2C[NH2+]CCN2)cc1	ZINC000004203755	372166412	/nfs/dbraw/zinc/16/64/12/372166412.db2.gz	WWRUGVIJFUXWFW-JTQLQIEISA-N	1	0	207.233	0.829	40	5		BCBBRO
O=[N+]([O-])c1cccnc1O[C@H]1CC[NH2+]C1	ZINC000051868439	182953866	/nfs/dbraw/zinc/95/38/66/182953866.db2.gz	IQYYIQLXFXNVHO-ZETCQYMHSA-N	1	0	209.205	0.731	40	5		BCBBRO
[NH3+][C@H]1CCN(c2ncccc2[N+](=O)[O-])C1	ZINC000050244242	383987770	/nfs/dbraw/zinc/98/77/70/383987770.db2.gz	OARZYUTUPOBYGU-ZETCQYMHSA-N	1	0	208.221	0.527	40	5		BCBBRO
CCOCCC[NH2+]Cc1cc([N+](=O)[O-])nn1C	ZINC000408715719	384351958	/nfs/dbraw/zinc/35/19/58/384351958.db2.gz	CWDXLBHDXMJEPG-UHFFFAOYSA-N	1	0	242.279	0.845	40	5		BCBBRO
COCCC[NH2+]Cc1cc([N+](=O)[O-])nn1C	ZINC000408717305	384353123	/nfs/dbraw/zinc/35/31/23/384353123.db2.gz	YDPIVORWMCWWQH-UHFFFAOYSA-N	1	0	228.252	0.454	40	5		BCBBRO
CN1C[N+](C)(CCO)CSC1=S	ZINC000001665408	173199101	/nfs/dbraw/zinc/19/91/01/173199101.db2.gz	USAPWKWZEFYTNN-UHFFFAOYSA-N	1	0	207.344	0.304	40	5		BCBBRO
O=[N+]([O-])c1cccc(OC[C@H]2C[NH2+]CCO2)c1	ZINC000080760364	259323361	/nfs/dbraw/zinc/32/33/61/259323361.db2.gz	RNYZSTAAKUCYPH-LLVKDONJSA-N	1	0	238.243	0.962	40	5		BCBBRO
O=[N+]([O-])c1ccc(C[NH+](CCO)CCO)cc1	ZINC000014983368	350228792	/nfs/dbraw/zinc/22/87/92/350228792.db2.gz	DNMSRNDFJOWEQS-UHFFFAOYSA-N	1	0	240.259	0.381	40	5		BCBBRO
[NH3+][C@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1	ZINC000006505629	359749117	/nfs/dbraw/zinc/74/91/17/359749117.db2.gz	QSDDQXROWUJAJX-LURJTMIESA-N	1	0	249.230	0.668	40	5		BCBBRO
[NH3+]CC(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000052943184	181354517	/nfs/dbraw/zinc/35/45/17/181354517.db2.gz	UZOCMSVGFYMDTJ-UHFFFAOYSA-N	1	0	209.205	0.170	40	5		BCBBRO
C[N+](C)(C)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000104388113	384827656	/nfs/dbraw/zinc/82/76/56/384827656.db2.gz	ASNGCLKEZFFCDA-GHMZBOCLSA-N	1	0	239.339	0.868	40	5		BCBBRO
O=[N+]([O-])c1ccccc1OC[C@@H]1C[NH2+]CCO1	ZINC000080745177	388713583	/nfs/dbraw/zinc/71/35/83/388713583.db2.gz	HTDGBNBKVQVFOZ-VIFPVBQESA-N	1	0	238.243	0.962	40	5		BCBBRO
CN(CCC[NH3+])Cc1cc([N+](=O)[O-])n(C)n1	ZINC000408716298	384355005	/nfs/dbraw/zinc/35/50/05/384355005.db2.gz	LDBXQRJHPPGRIK-UHFFFAOYSA-N	1	0	227.268	0.109	40	5		BCBBRO
[NH3+]CCn1cc([N+](=O)[O-])c(OCC(F)F)n1	ZINC000408715896	384701867	/nfs/dbraw/zinc/70/18/67/384701867.db2.gz	GKRSCFYRQJFQFK-UHFFFAOYSA-N	1	0	236.178	0.394	40	5		BCBBRO
C[N+]1(CCO)C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000004065016	385134831	/nfs/dbraw/zinc/13/48/31/385134831.db2.gz	SXZDIEOMZTVPMJ-RJKRMVDRSA-N	1	0	249.334	0.404	40	5		BCBBRO
CO[C@@H]1[C@H]2CC(=O)C[C@@H]([C@@H]1OC)[N+]2(C)C	ZINC000005031467	342756890	/nfs/dbraw/zinc/75/68/90/342756890.db2.gz	HWLHUCCBZFCIKY-DTIDVZRVSA-N	1	0	214.285	0.207	40	5		BCBBRO
[NH3+]CCCn1cc(-n2cc([N+](=O)[O-])cn2)cn1	ZINC000685936614	538756338	/nfs/dbraw/zinc/75/63/38/538756338.db2.gz	KWXOEMZALNKNMZ-UHFFFAOYSA-N	1	0	236.235	0.326	40	5		BCBBRO
O=[N+]([O-])c1cccnc1O[C@@H]1CC[NH2+]C1	ZINC000051868437	182953293	/nfs/dbraw/zinc/95/32/93/182953293.db2.gz	IQYYIQLXFXNVHO-SSDOTTSWSA-N	1	0	209.205	0.731	40	5		BCBBRO
CC(C)(C)S(=O)(=O)C[N+]1(C)CCOCC1	ZINC000001568285	166687286	/nfs/dbraw/zinc/68/72/86/166687286.db2.gz	CATUUZLBKGCRLW-UHFFFAOYSA-N	1	0	236.357	0.634	40	5		BCBBRO
C[N+](C)(C)[C@]12CS(=O)(=O)[C@H]1CCC2	ZINC000001725392	383930720	/nfs/dbraw/zinc/93/07/20/383930720.db2.gz	YDUTUONQGSGYEP-DTWKUNHWSA-N	1	0	204.315	0.412	40	5		BCBBRO
c1ccc(C[N+]23CN4CN(CN(C4)C2)C3)cc1	ZINC000019319508	387028050	/nfs/dbraw/zinc/02/80/50/387028050.db2.gz	ZEBQXLTZNFGHKI-UHFFFAOYSA-N	1	0	231.323	0.695	40	5	in-vitro	BCBBRO
CN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[NH3+]	ZINC000037810930	388575943	/nfs/dbraw/zinc/57/59/43/388575943.db2.gz	TYZVSXGHFFNZSQ-UHFFFAOYSA-N	1	0	223.232	0.512	40	5		BCBBRO
CC(C)Oc1nn(CC[NH3+])cc1[N+](=O)[O-]	ZINC000408716814	133447303	/nfs/dbraw/zinc/44/73/03/133447303.db2.gz	RGSYYVIYZCNKJV-UHFFFAOYSA-N	1	0	214.225	0.537	40	5		BCBBRO
C[n+]1ncc(N)c2cc([N+](=O)[O-])ccc21	ZINC000004795538	177501546	/nfs/dbraw/zinc/50/15/46/177501546.db2.gz	WZYWMCPNOWKGJN-UHFFFAOYSA-O	1	0	205.197	0.550	40	5		BCBBRO
[NH3+]CC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000037668450	181353394	/nfs/dbraw/zinc/35/33/94/181353394.db2.gz	FPKAYPDWPLXRKZ-UHFFFAOYSA-N	1	0	209.205	0.170	40	5		BCBBRO
[NH3+]CC(=S)n1nnc2ccc([N+](=O)[O-])cc21	ZINC000075629723	181357810	/nfs/dbraw/zinc/35/78/10/181357810.db2.gz	UJQZVSPRRUITEG-UHFFFAOYSA-N	1	0	237.244	0.474	40	5		BCBBRO
Cc1c(Cl)c([N+](=O)[O-])nn1CC[NH3+]	ZINC000020313044	371261902	/nfs/dbraw/zinc/26/19/02/371261902.db2.gz	FNBKZNSKVGGPKR-UHFFFAOYSA-N	1	0	204.617	0.712	40	5		BCBBRO
[NH3+][C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1	ZINC000050244243	383988467	/nfs/dbraw/zinc/98/84/67/383988467.db2.gz	OARZYUTUPOBYGU-SSDOTTSWSA-N	1	0	208.221	0.527	40	5		BCBBRO
C[N+](C)(C)[C@]12CS(=O)(=O)[C@@H]1CCC2	ZINC000005052413	384096916	/nfs/dbraw/zinc/09/69/16/384096916.db2.gz	YDUTUONQGSGYEP-RKDXNWHRSA-N	1	0	204.315	0.412	40	5		BCBBRO
c1ccc2c(c1)nnn2C[N+]12CCN(CC1)CC2	ZINC000005286597	384109892	/nfs/dbraw/zinc/10/98/92/384109892.db2.gz	ZPNINMNDZLZHRC-UHFFFAOYSA-N	1	0	244.322	0.535	40	5		BCBBRO
OCC[N+]12CCN(CC1)c1ccccc12	ZINC000003096934	388363627	/nfs/dbraw/zinc/36/36/27/388363627.db2.gz	YMNAXNZYJRKYCD-UHFFFAOYSA-N	1	0	205.281	0.820	40	5		BCBBRO
C[C@H]([NH3+])C(=O)N(C)Cc1ccc([N+](=O)[O-])cc1	ZINC000079420896	176745714	/nfs/dbraw/zinc/74/57/14/176745714.db2.gz	AWPQDCDEPRNHHI-QMMMGPOBSA-N	1	0	237.259	0.900	40	5		BCBBRO
CC[N+](C)(CC)[C@H]1CCS(=O)(=O)C1	ZINC000006168607	342774794	/nfs/dbraw/zinc/77/47/94/342774794.db2.gz	UWWHYKPUCJQOSU-VIFPVBQESA-N	1	0	206.331	0.660	40	5		BCBBRO
O=[N+]([O-])[C@H]1CCN(Cc2ccccc2)[C@H]1O	ZINC000013535491	343520672	/nfs/dbraw/zinc/52/06/72/343520672.db2.gz	GJSZKSQTYVGJMO-QWRGUYRKSA-N	1	0	222.244	0.856	40	5		BCBBRO
O=[N+]([O-])[C@@H]1CCN(Cc2ccccc2)[C@@H]1O	ZINC000013535495	346951324	/nfs/dbraw/zinc/95/13/24/346951324.db2.gz	GJSZKSQTYVGJMO-GHMZBOCLSA-N	1	0	222.244	0.856	40	5		BCBBRO
NC(=[NH2+])NCCCOc1ccc([N+](=O)[O-])cc1	ZINC000001746396	181188874	/nfs/dbraw/zinc/18/88/74/181188874.db2.gz	JGRLPNAYPZAXFS-UHFFFAOYSA-N	1	0	238.247	0.847	40	5		BCBBRO
C[NH+](C)[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000003304830	371949629	/nfs/dbraw/zinc/94/96/29/371949629.db2.gz	WKFXOUSFZMOKOH-GHMZBOCLSA-N	1	0	240.259	0.551	40	5		BCBBRO
[NH3+][C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1	ZINC000050244251	383988821	/nfs/dbraw/zinc/98/88/21/383988821.db2.gz	YDHYUFZBCLPOHD-ZETCQYMHSA-N	1	0	208.221	0.527	40	5		BCBBRO
CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[NH3+]	ZINC000079420821	388695302	/nfs/dbraw/zinc/69/53/02/388695302.db2.gz	VPTGOJDJEPLSCJ-UHFFFAOYSA-N	1	0	223.232	0.512	40	5		BCBBRO
O=[N+]([O-])c1cccc(OC[C@@H]2C[NH2+]CCO2)c1	ZINC000080760362	388713220	/nfs/dbraw/zinc/71/32/20/388713220.db2.gz	RNYZSTAAKUCYPH-NSHDSACASA-N	1	0	238.243	0.962	40	5		BCBBRO
C[NH2+]CC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000026513829	173335355	/nfs/dbraw/zinc/33/53/55/173335355.db2.gz	OROYIUNPGZBOTP-UHFFFAOYSA-N	1	0	209.205	0.753	40	5		BCBBRO
Cn1c2cncnc2nc1NCC[N+](C)(C)C	ZINC000001717607	342710848	/nfs/dbraw/zinc/71/08/48/342710848.db2.gz	HRMVVGSURFVAJK-UHFFFAOYSA-N	1	0	235.315	0.481	40	5		BCBBRO
C[N+](C)(C)[C@@]12CS(=O)(=O)[C@H]1CCC2	ZINC000005052411	384097078	/nfs/dbraw/zinc/09/70/78/384097078.db2.gz	YDUTUONQGSGYEP-IUCAKERBSA-N	1	0	204.315	0.412	40	5		BCBBRO
[NH3+]Cc1ccc([C@H]2CNC(=O)C2)c([N+](=O)[O-])c1	ZINC000199775794	384540147	/nfs/dbraw/zinc/54/01/47/384540147.db2.gz	SJEVUPANEHLLNL-MRVPVSSYSA-N	1	0	235.243	0.657	40	5		BCBBRO
COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1O)[N+]2(C)C	ZINC000005015078	173752763	/nfs/dbraw/zinc/75/27/63/173752763.db2.gz	PRTGVCOFANEHJQ-JLIMGVALSA-N	1	0	214.285	0.148	40	5		BCBBRO
COc1ccc(NCC[NH3+])c([N+](=O)[O-])c1	ZINC000004851824	175150452	/nfs/dbraw/zinc/15/04/52/175150452.db2.gz	GCXAFSLQRVODPW-UHFFFAOYSA-N	1	0	211.221	0.974	40	5		BCBBRO
CN(C)c1nc(N(C)C)nc([N+](C)(C)C)n1	ZINC000001584938	342704666	/nfs/dbraw/zinc/70/46/66/342704666.db2.gz	OJXLNKVCGNDUOB-UHFFFAOYSA-N	1	0	225.320	0.200	40	5		BCBBRO
Cl/C=C/C[N+]12CN3CN(CN(C3)C1)C2	ZINC000019319483	342945359	/nfs/dbraw/zinc/94/53/59/342945359.db2.gz	LDLCEGCJYSDJLX-OWOJBTEDSA-N	1	0	215.708	0.248	40	5	in-vitro	BCBBRO
OCC[N+]12CCCC[C@@H]1[C@H](CO)CCC2	ZINC000004082733	183100246	/nfs/dbraw/zinc/10/02/46/183100246.db2.gz	QVZWEBDEFQVARW-LAGVYOHYSA-N	1	0	214.329	0.750	40	5		BCBBRO
C[N@H+]1C[C@@]2([N+](=O)[O-])C=CC[C@@]([N+](=O)[O-])(C1)C2	ZINC000001757066	173190696	/nfs/dbraw/zinc/19/06/96/173190696.db2.gz	UJTVOFSDBXXRSP-BDAKNGLRSA-N	1	0	227.220	0.313	40	5		BCBBRO
COC(=O)CN[N+](C)(C)CCc1ccccc1	ZINC000045221461	343526147	/nfs/dbraw/zinc/52/61/47/343526147.db2.gz	BAWPVGCUOBPYCI-UHFFFAOYSA-N	1	0	237.323	0.983	40	5		BCBBRO
CCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[NH3+]	ZINC000079420838	370656951	/nfs/dbraw/zinc/65/69/51/370656951.db2.gz	KHARJCYQBSLQAY-UHFFFAOYSA-N	1	0	237.259	0.902	40	5		BCBBRO
C[N+](C)(C)CN1C(=O)c2ccccc2C1=O	ZINC000000164221	383838929	/nfs/dbraw/zinc/83/89/29/383838929.db2.gz	LVGOPSLNEONSJG-UHFFFAOYSA-N	1	0	219.264	0.946	40	5		BCBBRO
COCC[NH2+]Cc1cc([N+](=O)[O-])nn1C	ZINC000408717371	384352751	/nfs/dbraw/zinc/35/27/51/384352751.db2.gz	YZPFORNFWQXGDQ-UHFFFAOYSA-N	1	0	214.225	0.064	40	5		BCBBRO
C[N+](C)(C)[C@@H]1C=CCC2=C1S(=O)(=O)C2	ZINC000004973138	177486699	/nfs/dbraw/zinc/48/66/99/177486699.db2.gz	VMVVYZGDFPFXQB-SECBINFHSA-N	1	0	214.310	0.704	40	5		BCBBRO
CN(CC[NH3+])Cc1cccc([N+](=O)[O-])c1	ZINC000054416839	383841183	/nfs/dbraw/zinc/84/11/83/383841183.db2.gz	MFIRAEQKHDHBLP-UHFFFAOYSA-N	1	0	209.249	0.985	40	5		BCBBRO
S=C1NN=C(c2ccncc2)[N+]12CCOCC2	ZINC000013550980	384477114	/nfs/dbraw/zinc/47/71/14/384477114.db2.gz	DOPIOAQFGIUBKX-UHFFFAOYSA-O	1	0	249.319	0.890	40	5		BCBBRO
C[N+](C)(C)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O	ZINC000018156291	384500090	/nfs/dbraw/zinc/50/00/90/384500090.db2.gz	ASNGCLKEZFFCDA-QWRGUYRKSA-N	1	0	239.339	0.868	40	5		BCBBRO
COc1cc(C(N)=[NH2+])c([N+](=O)[O-])cc1OC	ZINC000199559426	384524164	/nfs/dbraw/zinc/52/41/64/384524164.db2.gz	NSHUFAHSIPDPPW-UHFFFAOYSA-N	1	0	225.204	0.896	40	5		BCBBRO
[NH3+]CCn1cc([N+](=O)[O-])c(C(F)(F)F)n1	ZINC000020313051	398069787	/nfs/dbraw/zinc/06/97/87/398069787.db2.gz	BKBMBCQQMRUXHR-UHFFFAOYSA-N	1	0	224.142	0.769	40	5		BCBBRO
CO[C@H]1[C@@H](OC)[C@H]2CC(=O)C[C@@H]1[N+]2(C)C	ZINC000005031466	342756795	/nfs/dbraw/zinc/75/67/95/342756795.db2.gz	HWLHUCCBZFCIKY-CKIJPRSSSA-N	1	0	214.285	0.207	40	5		BCBBRO
CC[N+](C)(CC)[C@@H]1CCS(=O)(=O)C1	ZINC000006168606	342774744	/nfs/dbraw/zinc/77/47/44/342774744.db2.gz	UWWHYKPUCJQOSU-SECBINFHSA-N	1	0	206.331	0.660	40	5		BCBBRO
C[C@H]([NH3+])C(=O)N(C)Cc1cccc([N+](=O)[O-])c1	ZINC000037810939	367982919	/nfs/dbraw/zinc/98/29/19/367982919.db2.gz	PSKNWBSLJFZECW-QMMMGPOBSA-N	1	0	237.259	0.900	40	5		BCBBRO
C[C@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000028133189	371573221	/nfs/dbraw/zinc/57/32/21/371573221.db2.gz	KQXYOMCEWZXKAE-ZETCQYMHSA-N	1	0	223.232	0.558	40	5		BCBBRO
C[N+](C)(C)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000017323838	384486914	/nfs/dbraw/zinc/48/69/14/384486914.db2.gz	ASNGCLKEZFFCDA-PHIMTYICSA-N	1	0	239.339	0.868	40	5		BCBBRO
C[N@@H+]1CCc2[nH]c(=O)c([N+](=O)[O-])cc2C1	ZINC000096510600	385250598	/nfs/dbraw/zinc/25/05/98/385250598.db2.gz	XNXLNESVXBNHJF-UHFFFAOYSA-N	1	0	209.205	0.271	40	5		BCBBRO
O=[N+]([O-])c1ccccc1OC[C@H]1C[NH2+]CCO1	ZINC000080745178	388713800	/nfs/dbraw/zinc/71/38/00/388713800.db2.gz	HTDGBNBKVQVFOZ-SECBINFHSA-N	1	0	238.243	0.962	40	5		BCBBRO
[NH3+][C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1	ZINC000050244252	383988619	/nfs/dbraw/zinc/98/86/19/383988619.db2.gz	YDHYUFZBCLPOHD-SSDOTTSWSA-N	1	0	208.221	0.527	40	5		BCBBRO
O=[N+]([O-])c1cccnc1N[C@@H]1CC[NH2+]C1	ZINC000052093908	385656289	/nfs/dbraw/zinc/65/62/89/385656289.db2.gz	MLDNPNZRJOFIEZ-SSDOTTSWSA-N	1	0	208.221	0.764	40	5		BCBBRO
O=[N+]([O-])c1cccnc1N[C@H]1CC[NH2+]C1	ZINC000052093909	385657954	/nfs/dbraw/zinc/65/79/54/385657954.db2.gz	MLDNPNZRJOFIEZ-ZETCQYMHSA-N	1	0	208.221	0.764	40	5		BCBBRO
C[N+]1([C@@H]2C[C@H]3CC[C@@H]2C3=O)CCOCC1	ZINC000005029991	384093263	/nfs/dbraw/zinc/09/32/63/384093263.db2.gz	ZYOJMOBGJMTZFJ-OUAUKWLOSA-N	1	0	210.297	0.831	40	5		BCBBRO
O=[N+]([O-])c1ccc(OC[C@H]2C[NH2+]CCO2)cc1	ZINC000080760359	388713304	/nfs/dbraw/zinc/71/33/04/388713304.db2.gz	UFWMAKQTLPXLGR-LLVKDONJSA-N	1	0	238.243	0.962	40	5		BCBBRO
COc1nn(CC[NH3+])c(C)c1[N+](=O)[O-]	ZINC000020313042	388763206	/nfs/dbraw/zinc/76/32/06/388763206.db2.gz	ZQXIEDTZOPDTQD-UHFFFAOYSA-N	1	0	200.198	0.067	40	5		BCBBRO
COc1cc([N+](=O)[O-])ccc1NCC[NH3+]	ZINC000045958628	175018093	/nfs/dbraw/zinc/01/80/93/175018093.db2.gz	HFRGQIHVLYGZBS-UHFFFAOYSA-N	1	0	211.221	0.974	40	5		BCBBRO
C[N+](C)(C)[C@@]12CS(=O)(=O)[C@@H]1CCC2	ZINC000005052414	177486587	/nfs/dbraw/zinc/48/65/87/177486587.db2.gz	YDUTUONQGSGYEP-BDAKNGLRSA-N	1	0	204.315	0.412	40	5		BCBBRO
[NH3+]Cc1ccc([C@@H]2CNC(=O)C2)c([N+](=O)[O-])c1	ZINC000199775812	398206694	/nfs/dbraw/zinc/20/66/94/398206694.db2.gz	SJEVUPANEHLLNL-QMMMGPOBSA-N	1	0	235.243	0.657	40	5		BCBBRO
COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1O)[N+]2(C)C	ZINC000005015079	384095039	/nfs/dbraw/zinc/09/50/39/384095039.db2.gz	PRTGVCOFANEHJQ-RGOKHQFPSA-N	1	0	214.285	0.148	40	5		BCBBRO
C[N+](C)(C)[C@H]1C=CCC2=C1S(=O)(=O)C2	ZINC000001721953	177486304	/nfs/dbraw/zinc/48/63/04/177486304.db2.gz	VMVVYZGDFPFXQB-VIFPVBQESA-N	1	0	214.310	0.704	40	5		BCBBRO