smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000040095648	453947250	/nfs/dbraw/zinc/94/72/50/453947250.db2.gz	IFVBQQPUCVHMOO-AWEZNQCLSA-N	1	1	334.420	3.289	40	5		EGBBMO
O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1F	ZINC000253392389	455837235	/nfs/dbraw/zinc/83/72/35/455837235.db2.gz	QDYXYKOKZXEUAE-ZIAGYGMSSA-N	1	1	340.420	3.220	40	5		EGBBMO
CCOC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000093839492	454740170	/nfs/dbraw/zinc/74/01/70/454740170.db2.gz	CBPHCHSUCYVSIZ-LLVKDONJSA-N	1	1	343.221	3.216	40	5		EGBBMO
CCOC[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000093839492	454740173	/nfs/dbraw/zinc/74/01/73/454740173.db2.gz	CBPHCHSUCYVSIZ-LLVKDONJSA-N	1	1	343.221	3.216	40	5		EGBBMO
CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000010543025	453296109	/nfs/dbraw/zinc/29/61/09/453296109.db2.gz	LHGAOXUXJLOXCT-HNNXBMFYSA-N	1	1	333.432	3.288	40	5		EGBBMO
[NH3+][C@H](c1nc(-c2ccccc2[N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1	ZINC000095533949	454231210	/nfs/dbraw/zinc/23/12/10/454231210.db2.gz	JFLMZJKZYCEIBS-ZDUSSCGKSA-N	1	1	329.747	3.081	40	5		EGBBMO
COc1ccnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000242263294	243012944	/nfs/dbraw/zinc/01/29/44/243012944.db2.gz	XXRMZUBASKOHFP-UHFFFAOYSA-N	1	1	343.383	3.042	40	5		EGBBMO
[NH3+][C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(Cl)cc1	ZINC000095533953	454230040	/nfs/dbraw/zinc/23/00/40/454230040.db2.gz	KJQWQZGXQFNYID-ZDUSSCGKSA-N	1	1	329.747	3.081	40	5		EGBBMO
Cc1nn(C)c(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-]	ZINC000078338379	202390134	/nfs/dbraw/zinc/39/01/34/202390134.db2.gz	MUWUIWXFWSOZRB-DOMZBBRYSA-N	1	1	349.460	3.193	40	5		EGBBMO
Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-]	ZINC000029483387	453829115	/nfs/dbraw/zinc/82/91/15/453829115.db2.gz	NSLZWHZCNWJSSC-QGZVFWFLSA-N	1	1	339.395	3.461	40	5		EGBBMO
C[N@@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21	ZINC000029483335	453829180	/nfs/dbraw/zinc/82/91/80/453829180.db2.gz	QZVMQWSYWNLIBP-QGZVFWFLSA-N	1	1	325.368	3.153	40	5		EGBBMO
C[C@@H]1CCCC[N@H+]1CCCOC(=O)c1noc2cc([N+](=O)[O-])ccc21	ZINC000004783490	452817021	/nfs/dbraw/zinc/81/70/21/452817021.db2.gz	UHRBFNMRHIJQME-GFCCVEGCSA-N	1	1	347.371	3.157	40	5		EGBBMO
C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCc2ccccc21	ZINC000027360139	453815565	/nfs/dbraw/zinc/81/55/65/453815565.db2.gz	YZLRERUSZVLQOL-KRWDZBQOSA-N	1	1	339.395	3.203	40	5		EGBBMO
CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000013613330	453473973	/nfs/dbraw/zinc/47/39/73/453473973.db2.gz	NWUXOBRHOXLZAW-MRXNPFEDSA-N	1	1	333.432	3.288	40	5		EGBBMO
Cc1ccsc1C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C	ZINC000058157843	454166001	/nfs/dbraw/zinc/16/60/01/454166001.db2.gz	JRJPASVESFEJDN-UHFFFAOYSA-N	1	1	347.440	3.474	40	5		EGBBMO
C[C@H]1CCCC[N@H+]1CCCOC(=O)c1noc2cc([N+](=O)[O-])ccc21	ZINC000001670693	452672052	/nfs/dbraw/zinc/67/20/52/452672052.db2.gz	UHRBFNMRHIJQME-LBPRGKRZSA-N	1	1	347.371	3.157	40	5		EGBBMO
Cc1nc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])sc1C	ZINC000072866431	216322940	/nfs/dbraw/zinc/32/29/40/216322940.db2.gz	MRFPEDGYIATIFH-UHFFFAOYSA-N	1	1	348.428	3.132	40	5		EGBBMO
Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000020489648	212138786	/nfs/dbraw/zinc/13/87/86/212138786.db2.gz	YOXWXBJLPSIFRZ-UHFFFAOYSA-N	1	1	336.351	3.019	40	5		EGBBMO
C[C@@H](c1ccccn1)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1	ZINC000330033185	258001839	/nfs/dbraw/zinc/00/18/39/258001839.db2.gz	XEFDQLYBAFGTCG-AWEZNQCLSA-N	1	1	344.390	3.008	40	5		EGBBMO
Cc1ccc(NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-]	ZINC000040095651	213263776	/nfs/dbraw/zinc/26/37/76/213263776.db2.gz	IFVBQQPUCVHMOO-CQSZACIVSA-N	1	1	334.420	3.289	40	5		EGBBMO
CCOC[C@H]1CC[N@H+](Cc2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000093839493	218252193	/nfs/dbraw/zinc/25/21/93/218252193.db2.gz	CBPHCHSUCYVSIZ-NSHDSACASA-N	1	1	343.221	3.216	40	5		EGBBMO
CCOC[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000093839493	218252196	/nfs/dbraw/zinc/25/21/96/218252196.db2.gz	CBPHCHSUCYVSIZ-NSHDSACASA-N	1	1	343.221	3.216	40	5		EGBBMO
CC(C)(C)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@@H]1O	ZINC000606428351	460668094	/nfs/dbraw/zinc/66/80/94/460668094.db2.gz	UQNAGARWZLYOMC-IKGGRYGDSA-N	1	1	336.432	3.032	40	5		EGBBMO
Cc1ncc(C[N@H+]2CC[C@H](Nc3ncccc3[N+](=O)[O-])[C@@H](C)C2)s1	ZINC000110613676	220049332	/nfs/dbraw/zinc/04/93/32/220049332.db2.gz	BYGYOTMXIRAUOE-FZMZJTMJSA-N	1	1	347.444	3.077	40	5		EGBBMO
Cc1c(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-]	ZINC000013673326	453480409	/nfs/dbraw/zinc/48/04/09/453480409.db2.gz	LTEWBUIEOUTQOY-OKILXGFUSA-N	1	1	333.432	3.001	40	5		EGBBMO
Cc1[nH+]ccn1CCCOc1c(Br)cccc1[N+](=O)[O-]	ZINC000195548395	455981972	/nfs/dbraw/zinc/98/19/72/455981972.db2.gz	RRJGEVCKVLNSNI-UHFFFAOYSA-N	1	1	340.177	3.331	40	5		EGBBMO
CCC[N@@H+]1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C1	ZINC000022699040	212318786	/nfs/dbraw/zinc/31/87/86/212318786.db2.gz	QYGWLDCFPKFOMC-UHFFFAOYSA-N	1	1	346.412	3.072	40	5		EGBBMO
CCC[N@H+]1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C1	ZINC000022699040	212318788	/nfs/dbraw/zinc/31/87/88/212318788.db2.gz	QYGWLDCFPKFOMC-UHFFFAOYSA-N	1	1	346.412	3.072	40	5		EGBBMO
COc1cc(NC(=O)C[N@@H+](C)C2CCCCC2)c(C)cc1[N+](=O)[O-]	ZINC000006638062	452962674	/nfs/dbraw/zinc/96/26/74/452962674.db2.gz	XMFHMXBOPJOEEJ-UHFFFAOYSA-N	1	1	335.404	3.115	40	5		EGBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000038853842	213228469	/nfs/dbraw/zinc/22/84/69/213228469.db2.gz	JPRXLQCMXSWMOO-INIZCTEOSA-N	1	1	339.395	3.446	40	5		EGBBMO
Cc1ncc(C[N@H+]2CC[C@H](Nc3ncccc3[N+](=O)[O-])[C@H](C)C2)s1	ZINC000096419450	454335417	/nfs/dbraw/zinc/33/54/17/454335417.db2.gz	BYGYOTMXIRAUOE-RISCZKNCSA-N	1	1	347.444	3.077	40	5		EGBBMO
CC(C)C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc([N+](=O)[O-])cc1)C2	ZINC000004886590	210311155	/nfs/dbraw/zinc/31/11/55/210311155.db2.gz	BULQCQRPRWSBNM-ZNXRZULTSA-N	1	1	345.443	3.366	40	5		EGBBMO
O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(N2CCCCC2)nc1	ZINC000078394107	132816669	/nfs/dbraw/zinc/81/66/69/132816669.db2.gz	LMIKCAKBWZQDCO-UHFFFAOYSA-N	1	1	326.400	3.270	40	5		EGBBMO
O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1F	ZINC000253392386	455836739	/nfs/dbraw/zinc/83/67/39/455836739.db2.gz	QDYXYKOKZXEUAE-KBPBESRZSA-N	1	1	340.420	3.220	40	5		EGBBMO
[NH3+][C@@H](c1nc(-c2ccccc2[N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1	ZINC000095533948	454230856	/nfs/dbraw/zinc/23/08/56/454230856.db2.gz	JFLMZJKZYCEIBS-CYBMUJFWSA-N	1	1	329.747	3.081	40	5		EGBBMO
CC(C)n1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1	ZINC000179909104	455097247	/nfs/dbraw/zinc/09/72/47/455097247.db2.gz	FUTBRQBOABICHG-UHFFFAOYSA-N	1	1	344.415	3.416	40	5		EGBBMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000022518292	212303605	/nfs/dbraw/zinc/30/36/05/212303605.db2.gz	HHMHBVQPPKVMPT-UHFFFAOYSA-N	1	1	336.351	3.019	40	5		EGBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000038853844	213228797	/nfs/dbraw/zinc/22/87/97/213228797.db2.gz	JPRXLQCMXSWMOO-MRXNPFEDSA-N	1	1	339.395	3.446	40	5		EGBBMO
O=C([C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)N1CCCCCC1	ZINC000054992201	214263146	/nfs/dbraw/zinc/26/31/46/214263146.db2.gz	NBSQRBPEUUUBIU-KRWDZBQOSA-N	1	1	345.443	3.209	40	5		EGBBMO
Cc1cccc(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)c1	ZINC000059373906	454258470	/nfs/dbraw/zinc/25/84/70/454258470.db2.gz	RKJZNUFGLFENMD-UHFFFAOYSA-N	1	1	341.411	3.104	40	5		EGBBMO
CC(C)(C)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@@H]1O	ZINC000606428352	460668712	/nfs/dbraw/zinc/66/87/12/460668712.db2.gz	UQNAGARWZLYOMC-ULQDDVLXSA-N	1	1	336.432	3.032	40	5		EGBBMO
CC(C)c1[nH+]ccn1CC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1	ZINC000062130042	454367811	/nfs/dbraw/zinc/36/78/11/454367811.db2.gz	XXGHMOJZWCVDTP-UHFFFAOYSA-N	1	1	346.387	3.060	40	5		EGBBMO
O=C(CC[N@H+]1CCc2sccc2C1)Nc1ccc([N+](=O)[O-])cc1	ZINC000026343767	453797214	/nfs/dbraw/zinc/79/72/14/453797214.db2.gz	DFLVSDHDSTUFOP-UHFFFAOYSA-N	1	1	331.397	3.043	40	5		EGBBMO
CCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1cccc([N+](=O)[O-])c1)C2	ZINC000004887233	452823181	/nfs/dbraw/zinc/82/31/81/452823181.db2.gz	HICUZMVGUXLIAN-MQVJKMGUSA-N	1	1	331.416	3.120	40	5		EGBBMO
CC(C)(C)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1O	ZINC000606428350	460668598	/nfs/dbraw/zinc/66/85/98/460668598.db2.gz	UQNAGARWZLYOMC-BBWFWOEESA-N	1	1	336.432	3.032	40	5		EGBBMO
C[C@H](c1ccccn1)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1	ZINC000330033187	201362756	/nfs/dbraw/zinc/36/27/56/201362756.db2.gz	XEFDQLYBAFGTCG-CQSZACIVSA-N	1	1	344.390	3.008	40	5		EGBBMO
Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000038853965	453942543	/nfs/dbraw/zinc/94/25/43/453942543.db2.gz	DIHUCTLEOFGDBQ-UHFFFAOYSA-N	1	1	336.351	3.400	40	5		EGBBMO
Cc1ncc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)[C@H](C)C2)s1	ZINC000096419455	454335785	/nfs/dbraw/zinc/33/57/85/454335785.db2.gz	HFODHZFGVXQKRT-IAQYHMDHSA-N	1	1	347.444	3.077	40	5		EGBBMO
Cc1nn(C)c(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-]	ZINC000078338378	202390088	/nfs/dbraw/zinc/39/00/88/202390088.db2.gz	MUWUIWXFWSOZRB-WFASDCNBSA-N	1	1	349.460	3.193	40	5		EGBBMO
Cc1ccccc1C[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000003403463	452765850	/nfs/dbraw/zinc/76/58/50/452765850.db2.gz	GTVHJXSVGVQRER-UHFFFAOYSA-N	1	1	327.384	3.282	40	5		EGBBMO
Cc1ccccc1C[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000003403463	452765859	/nfs/dbraw/zinc/76/58/59/452765859.db2.gz	GTVHJXSVGVQRER-UHFFFAOYSA-N	1	1	327.384	3.282	40	5		EGBBMO
O=C(C[NH+]1CCCCCC1)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000016740494	453621223	/nfs/dbraw/zinc/62/12/23/453621223.db2.gz	RDYFUEUJMYJNQC-UHFFFAOYSA-N	1	1	334.401	3.019	40	5		EGBBMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1	ZINC000139423572	454806466	/nfs/dbraw/zinc/80/64/66/454806466.db2.gz	GZQGMLHQXUNWEI-LBPRGKRZSA-N	1	1	339.823	3.052	40	5		EGBBMO
Cc1ncc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)[C@@H](C)C2)s1	ZINC000110613691	454849684	/nfs/dbraw/zinc/84/96/84/454849684.db2.gz	HFODHZFGVXQKRT-NHYWBVRUSA-N	1	1	347.444	3.077	40	5		EGBBMO
Cc1ccc(C[N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000031653123	453851132	/nfs/dbraw/zinc/85/11/32/453851132.db2.gz	CGEMYWXVILNGRJ-UHFFFAOYSA-N	1	1	337.383	3.251	40	5		EGBBMO
Cc1ccc(C[N@@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000031653123	453851135	/nfs/dbraw/zinc/85/11/35/453851135.db2.gz	CGEMYWXVILNGRJ-UHFFFAOYSA-N	1	1	337.383	3.251	40	5		EGBBMO
[NH3+][C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Cl)cc1	ZINC000095533942	454231077	/nfs/dbraw/zinc/23/10/77/454231077.db2.gz	YXOLAQIAKUAYLS-CYBMUJFWSA-N	1	1	329.747	3.081	40	5		EGBBMO
CCC[NH+]1CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1	ZINC000005937260	452911932	/nfs/dbraw/zinc/91/19/32/452911932.db2.gz	HKQNRWUHZUDWRY-UHFFFAOYSA-N	1	1	343.383	3.023	40	5		EGBBMO
CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000013613333	453474036	/nfs/dbraw/zinc/47/40/36/453474036.db2.gz	NWUXOBRHOXLZAW-INIZCTEOSA-N	1	1	333.432	3.288	40	5		EGBBMO
CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000013613107	453473812	/nfs/dbraw/zinc/47/38/12/453473812.db2.gz	LPENVGGVIXTYFL-MRXNPFEDSA-N	1	1	333.432	3.288	40	5		EGBBMO
CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000013613110	453474845	/nfs/dbraw/zinc/47/48/45/453474845.db2.gz	LPENVGGVIXTYFL-INIZCTEOSA-N	1	1	333.432	3.288	40	5		EGBBMO
Cc1cnc(N2CCC(Nc3cccc(C)[nH+]3)CC2)c([N+](=O)[O-])c1	ZINC000078664226	454294743	/nfs/dbraw/zinc/29/47/43/454294743.db2.gz	AFMPWIZIEDAAFJ-UHFFFAOYSA-N	1	1	327.388	3.083	40	5		EGBBMO
Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000044904294	454125966	/nfs/dbraw/zinc/12/59/66/454125966.db2.gz	RTKWILSLHPFSCL-UHFFFAOYSA-N	1	1	336.351	3.019	40	5		EGBBMO
CCC[N@@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C1	ZINC000022699038	212318353	/nfs/dbraw/zinc/31/83/53/212318353.db2.gz	KCALVMHEQIQDBB-UHFFFAOYSA-N	1	1	346.412	3.072	40	5		EGBBMO
CCC[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C1	ZINC000022699038	212318355	/nfs/dbraw/zinc/31/83/55/212318355.db2.gz	KCALVMHEQIQDBB-UHFFFAOYSA-N	1	1	346.412	3.072	40	5		EGBBMO
Cc1cc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-]	ZINC000013669784	257912130	/nfs/dbraw/zinc/91/21/30/257912130.db2.gz	TWPLTULECLJYJV-OKILXGFUSA-N	1	1	333.432	3.001	40	5		EGBBMO
CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000310479122	257857280	/nfs/dbraw/zinc/85/72/80/257857280.db2.gz	MNVHHRXOWXOCGY-UHFFFAOYSA-N	1	1	339.395	3.120	40	5		EGBBMO
Cc1ccc(CNc2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-]	ZINC000124120546	222379000	/nfs/dbraw/zinc/37/90/00/222379000.db2.gz	VMJSDMRQULITQG-UHFFFAOYSA-N	1	1	341.411	3.348	40	5		EGBBMO
C[NH+](C)C1=C(c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1	ZINC000100931294	282046539	/nfs/dbraw/zinc/04/65/39/282046539.db2.gz	NGNJVNYVGPJSAI-UHFFFAOYSA-N	1	1	336.304	3.258	40	5		EGBBMO
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccco1)C1CC1	ZINC000058138019	454164888	/nfs/dbraw/zinc/16/48/88/454164888.db2.gz	ZQJLBFJYFDCJPP-UHFFFAOYSA-N	1	1	343.383	3.489	40	5		EGBBMO
O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1F	ZINC000253392387	455837266	/nfs/dbraw/zinc/83/72/66/455837266.db2.gz	QDYXYKOKZXEUAE-KGLIPLIRSA-N	1	1	340.420	3.220	40	5		EGBBMO
Cc1ncc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)[C@@H](C)C2)s1	ZINC000195530707	455980933	/nfs/dbraw/zinc/98/09/33/455980933.db2.gz	HFODHZFGVXQKRT-XHDPSFHLSA-N	1	1	347.444	3.077	40	5		EGBBMO
Cc1c(NC(=O)CC[N@@H+](Cc2ccco2)C2CC2)cccc1[N+](=O)[O-]	ZINC000058171172	454168056	/nfs/dbraw/zinc/16/80/56/454168056.db2.gz	FHAXICYTWCPMBK-UHFFFAOYSA-N	1	1	343.383	3.489	40	5		EGBBMO
Cc1ccc(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-]	ZINC000029483390	453829130	/nfs/dbraw/zinc/82/91/30/453829130.db2.gz	NSLZWHZCNWJSSC-KRWDZBQOSA-N	1	1	339.395	3.461	40	5		EGBBMO
O=C([C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)N1CCCCCC1	ZINC000054992204	214263609	/nfs/dbraw/zinc/26/36/09/214263609.db2.gz	NBSQRBPEUUUBIU-QGZVFWFLSA-N	1	1	345.443	3.209	40	5		EGBBMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000216436348	241193109	/nfs/dbraw/zinc/19/31/09/241193109.db2.gz	AOHOBUKXIZMYIK-UHFFFAOYSA-N	1	1	336.351	3.019	40	5		EGBBMO
C[N@@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc21	ZINC000029483338	453829120	/nfs/dbraw/zinc/82/91/20/453829120.db2.gz	QZVMQWSYWNLIBP-KRWDZBQOSA-N	1	1	325.368	3.153	40	5		EGBBMO
CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccco1	ZINC000058140303	454165026	/nfs/dbraw/zinc/16/50/26/454165026.db2.gz	HADYGIVSHDFUKF-UHFFFAOYSA-N	1	1	331.372	3.347	40	5		EGBBMO
[NH3+][C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(Cl)cc1	ZINC000095533952	454231202	/nfs/dbraw/zinc/23/12/02/454231202.db2.gz	KJQWQZGXQFNYID-CYBMUJFWSA-N	1	1	329.747	3.081	40	5		EGBBMO
Cc1ncc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)[C@H](C)C2)s1	ZINC000096419454	454335333	/nfs/dbraw/zinc/33/53/33/454335333.db2.gz	HFODHZFGVXQKRT-ABAIWWIYSA-N	1	1	347.444	3.077	40	5		EGBBMO
O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cc1F	ZINC000253392388	455837034	/nfs/dbraw/zinc/83/70/34/455837034.db2.gz	QDYXYKOKZXEUAE-UONOGXRCSA-N	1	1	340.420	3.220	40	5		EGBBMO
[NH3+][C@H](c1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Cl)cc1	ZINC000095533943	454231133	/nfs/dbraw/zinc/23/11/33/454231133.db2.gz	YXOLAQIAKUAYLS-ZDUSSCGKSA-N	1	1	329.747	3.081	40	5		EGBBMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1	ZINC000139423688	454806591	/nfs/dbraw/zinc/80/65/91/454806591.db2.gz	GZQGMLHQXUNWEI-GFCCVEGCSA-N	1	1	339.823	3.052	40	5		EGBBMO
CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000010543023	211180767	/nfs/dbraw/zinc/18/07/67/211180767.db2.gz	LHGAOXUXJLOXCT-OAHLLOKOSA-N	1	1	333.432	3.288	40	5		EGBBMO
Cc1ccc(NCCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[nH+]c1	ZINC000085383730	454024819	/nfs/dbraw/zinc/02/48/19/454024819.db2.gz	BYWCOYRAHTUAAA-UHFFFAOYSA-N	1	1	348.790	3.184	40	5		EGBBMO
Cc1ncc(C[N@H+]2CC[C@@H](Nc3ncccc3[N+](=O)[O-])[C@H](C)C2)s1	ZINC000096419451	454335922	/nfs/dbraw/zinc/33/59/22/454335922.db2.gz	BYGYOTMXIRAUOE-BXUZGUMPSA-N	1	1	347.444	3.077	40	5		EGBBMO
C[N@@H+](CCCc1ccccc1)CC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000048356063	454477915	/nfs/dbraw/zinc/47/79/15/454477915.db2.gz	XHGKDYYGCDPRMI-UHFFFAOYSA-N	1	1	327.384	3.098	40	5		EGBBMO
Cc1nn(C)c(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-]	ZINC000110627422	454849277	/nfs/dbraw/zinc/84/92/77/454849277.db2.gz	MUWUIWXFWSOZRB-IUODEOHRSA-N	1	1	349.460	3.193	40	5		EGBBMO
Cc1nn(C)c(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-]	ZINC000110627426	454849620	/nfs/dbraw/zinc/84/96/20/454849620.db2.gz	MUWUIWXFWSOZRB-SWLSCSKDSA-N	1	1	349.460	3.193	40	5		EGBBMO
CC(C)(C)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1O	ZINC000606428353	460668073	/nfs/dbraw/zinc/66/80/73/460668073.db2.gz	UQNAGARWZLYOMC-ZACQAIPSSA-N	1	1	336.432	3.032	40	5		EGBBMO
COc1cc2c(cc1OC)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC2	ZINC000022006229	212269428	/nfs/dbraw/zinc/26/94/28/212269428.db2.gz	APCRFYGXPUAKFD-UHFFFAOYSA-N	1	1	342.395	3.213	40	5	in-vitro	EGBBMO
O=[N+]([O-])c1ccc(CC[N@H+](Cc2cccnc2)C[C@@H]2CCCO2)cc1	ZINC000079350277	217212333	/nfs/dbraw/zinc/21/23/33/217212333.db2.gz	BTCPUFZZPYXPKN-IBGZPJMESA-N	1	1	341.411	3.214	40	5		EGBBMO
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CCC(C)CC1	ZINC000041894297	453983911	/nfs/dbraw/zinc/98/39/11/453983911.db2.gz	WPOUTKYBHOLILL-UHFFFAOYSA-N	1	1	349.431	3.443	40	5		EGBBMO
Cc1ncc(C[N@H+]2CC[C@@H](Nc3ncccc3[N+](=O)[O-])[C@@H](C)C2)s1	ZINC000195530706	455980848	/nfs/dbraw/zinc/98/08/48/455980848.db2.gz	BYGYOTMXIRAUOE-SMDDNHRTSA-N	1	1	347.444	3.077	40	5		EGBBMO
Cc1ccc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000013647230	453477901	/nfs/dbraw/zinc/47/79/01/453477901.db2.gz	RTVPDWPBLQVTMV-OKILXGFUSA-N	1	1	333.432	3.001	40	5		EGBBMO
C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21	ZINC000027360135	453815613	/nfs/dbraw/zinc/81/56/13/453815613.db2.gz	YZLRERUSZVLQOL-QGZVFWFLSA-N	1	1	339.395	3.203	40	5		EGBBMO
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCc1ccccc1	ZINC000048364197	454480226	/nfs/dbraw/zinc/48/02/26/454480226.db2.gz	OMZBFEIBUMECPK-OAHLLOKOSA-N	1	1	341.411	3.486	40	5		EGBBMO
CC(=O)c1cc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-]	ZINC000225822053	534823057	/nfs/dbraw/zinc/82/30/57/534823057.db2.gz	BPCBUZCNZFKFSL-OKILXGFUSA-N	1	1	349.431	3.099	40	5		EGBBMO
CC[N@H+](Cc1ccc(C(=O)OC)cc1)Cc1ccccc1[N+](=O)[O-]	ZINC000036393915	213096026	/nfs/dbraw/zinc/09/60/26/213096026.db2.gz	HQSOXOUKOSFOLM-UHFFFAOYSA-N	1	1	328.368	3.404	40	5		EGBBMO
CC[N@@H+](Cc1ccc(C(=O)OC)cc1)Cc1ccccc1[N+](=O)[O-]	ZINC000036393915	213096028	/nfs/dbraw/zinc/09/60/28/213096028.db2.gz	HQSOXOUKOSFOLM-UHFFFAOYSA-N	1	1	328.368	3.404	40	5		EGBBMO
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCc1ccccc1	ZINC000048364194	454480135	/nfs/dbraw/zinc/48/01/35/454480135.db2.gz	OMZBFEIBUMECPK-HNNXBMFYSA-N	1	1	341.411	3.486	40	5		EGBBMO
O=[N+]([O-])c1ccc(CC[N@H+](Cc2cccnc2)C[C@H]2CCCO2)cc1	ZINC000079350285	275035095	/nfs/dbraw/zinc/03/50/95/275035095.db2.gz	BTCPUFZZPYXPKN-LJQANCHMSA-N	1	1	341.411	3.214	40	5		EGBBMO