smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(Cl)cc4)c4ccccc4c3=O)c2)CC1	ZINC000009891971	195015716	/nfs/dbraw/zinc/01/57/16/195015716.db2.gz	AQYLZFAAMVSOIX-UHFFFAOYSA-N	1	0	475.936	4.366	50	5		JIBARO
C[NH+](C)CCCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000058310722	195376987	/nfs/dbraw/zinc/37/69/87/195376987.db2.gz	FQEPNQKSAYGRSE-UHFFFAOYSA-N	1	0	453.564	4.327	50	5		JIBARO
O=[N+]([O-])c1ccccc1-c1nnc2c3ccccc3nc(N3CC[NH+](Cc4ccccc4)CC3)n21	ZINC000096497209	130107307	/nfs/dbraw/zinc/10/73/07/130107307.db2.gz	BCJDIWSAELITCF-UHFFFAOYSA-N	1	0	465.517	4.175	50	5		JIBARO
CCOc1ccc(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000013522462	555486233	/nfs/dbraw/zinc/48/62/33/555486233.db2.gz	VZBNWEHABNNULO-UHFFFAOYSA-N	1	0	474.561	4.339	50	5		JIBARO
COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000057222826	569594735	/nfs/dbraw/zinc/59/47/35/569594735.db2.gz	ZLKDQMQYEWSJLG-UHFFFAOYSA-N	1	0	488.544	4.264	50	5		JIBARO
Cc1ccc(NC(=O)C2CC[NH+](C3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)CC2)cc1C	ZINC000034912102	569671631	/nfs/dbraw/zinc/67/16/31/569671631.db2.gz	ZSRUXFCTTYNHGM-UHFFFAOYSA-N	1	0	464.566	4.167	50	5		JIBARO
CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1	ZINC000089493836	569718795	/nfs/dbraw/zinc/71/87/95/569718795.db2.gz	VSIXABDKBDKAEW-UHFFFAOYSA-N	1	0	482.528	4.278	50	5		JIBARO
CCCC(=O)Oc1cn(CCC[NH+]2CCOCC2)c2nc(CCC)n3c4ccccc4nc3c12	ZINC000020403661	519881129	/nfs/dbraw/zinc/88/11/29/519881129.db2.gz	TYOTZYIJAUUUEK-UHFFFAOYSA-N	1	0	463.582	4.218	50	5		JIBARO
CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+][C@@H](C)c2ccccc2)cc1	ZINC000020155051	521513451	/nfs/dbraw/zinc/51/34/51/521513451.db2.gz	RMKLZNKLJOCGHL-KRWDZBQOSA-N	1	0	490.516	4.313	50	5		JIBARO
CC[NH+]1CCN(c2ccc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CC1	ZINC000011950934	555869909	/nfs/dbraw/zinc/86/99/09/555869909.db2.gz	ZVIMGKRRSYOSAT-UHFFFAOYSA-N	1	0	465.476	4.196	50	5		JIBARO
O=C(CCN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000017179102	556233826	/nfs/dbraw/zinc/23/38/26/556233826.db2.gz	VTBWKUVXXSMHPR-MUUNZHRXSA-N	1	0	497.599	4.480	50	5		JIBARO
COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1	ZINC000057222668	569594733	/nfs/dbraw/zinc/59/47/33/569594733.db2.gz	HHZJIZDXLLRWIG-UHFFFAOYSA-N	1	0	488.544	4.264	50	5		JIBARO
Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NCCC[NH+](C)C)cc1	ZINC000035112659	569675177	/nfs/dbraw/zinc/67/51/77/569675177.db2.gz	DAFPTHXWZCKQGM-QJOMJCCJSA-N	1	0	476.533	4.002	50	5		JIBARO
COc1ccccc1[C@@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)[NH+]1CCCCC1	ZINC000068734294	569691926	/nfs/dbraw/zinc/69/19/26/569691926.db2.gz	HJQUAVWZSCWVDA-XMMPIXPASA-N	1	0	491.592	4.422	50	5		JIBARO
O=C(NCc1cccc(F)c1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12	ZINC000035871005	569718434	/nfs/dbraw/zinc/71/84/34/569718434.db2.gz	ZUVHMSNDFHCNEA-AOYPEHQESA-N	1	0	492.526	4.053	50	5		JIBARO
CCCC[NH+](CCCC)C[C@H](O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccccc1	ZINC000008687384	194477424	/nfs/dbraw/zinc/47/74/24/194477424.db2.gz	AQXXEMGKTDAVAP-NRFANRHFSA-N	1	0	493.626	4.062	50	5		JIBARO
COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)cc(OC)c1	ZINC000036075062	522719375	/nfs/dbraw/zinc/71/93/75/522719375.db2.gz	DFCIHROEZVINHK-XCGNWRKASA-N	1	0	484.553	4.217	50	5		JIBARO
O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2)nc1	ZINC000034681705	569643534	/nfs/dbraw/zinc/64/35/34/569643534.db2.gz	UKZGQLSFVAEWSU-UHFFFAOYSA-N	1	0	495.967	4.373	50	5		JIBARO
COCCN(C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000245329604	570066266	/nfs/dbraw/zinc/06/62/66/570066266.db2.gz	TYWXRCUCKPLMIU-GGAORHGYSA-N	1	0	457.546	4.081	50	5		JIBARO
COc1c2c(c(Br)c3c1C[N@@+](C)(Cc1cc(=O)oc4ccc(C)cc14)CC3)OCO2	ZINC000824528231	717191628	/nfs/dbraw/zinc/19/16/28/717191628.db2.gz	OPYOSHUAFAOECR-RUZDIDTESA-N	1	0	473.343	4.304	50	5		JIBARO
CCCC[NH+](CCCC)C[C@@H](O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccccc1	ZINC000008687385	194477373	/nfs/dbraw/zinc/47/73/73/194477373.db2.gz	AQXXEMGKTDAVAP-OAQYLSRUSA-N	1	0	493.626	4.062	50	5		JIBARO
C[NH+](C)CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2cc3c(cc2s1)OCCO3	ZINC000010066005	555614030	/nfs/dbraw/zinc/61/40/30/555614030.db2.gz	BJAOANFCWHQJAX-UHFFFAOYSA-N	1	0	484.559	4.399	50	5		JIBARO
CC(C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677509	569868684	/nfs/dbraw/zinc/86/86/84/569868684.db2.gz	RWBHFHDWBSSXGJ-VWNXMTODSA-N	1	0	471.001	4.274	50	5		JIBARO
CC(C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677510	569868699	/nfs/dbraw/zinc/86/86/99/569868699.db2.gz	RWBHFHDWBSSXGJ-UPVQGACJSA-N	1	0	471.001	4.274	50	5		JIBARO
Cc1cccc2nc(C[N+]3(Cc4cn5c(cccc5C)n4)CCC[C@@H](c4ccnn4C)C3)cn21	ZINC000048261462	524989628	/nfs/dbraw/zinc/98/96/28/524989628.db2.gz	SDFKILVPULLBPF-JOCHJYFZSA-N	1	0	454.602	4.427	50	5		JIBARO
Cc1ccc(C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NCCC[NH+](C)C)cc1	ZINC000002677904	554280595	/nfs/dbraw/zinc/28/05/95/554280595.db2.gz	QFOLMPFZCVBCTJ-HAVVHWLPSA-N	1	0	476.533	4.002	50	5		JIBARO
CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1cccc(OC)c1	ZINC000011381397	555776401	/nfs/dbraw/zinc/77/64/01/555776401.db2.gz	VDOUXQBCXWVVKL-DEOSSOPVSA-N	1	0	479.581	4.278	50	5		JIBARO
CC[N@@H+]1CCC[C@@H]1CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	ZINC000012566378	556064110	/nfs/dbraw/zinc/06/41/10/556064110.db2.gz	CLVSVGQDKQQGML-YLJYHZDGSA-N	1	0	461.360	4.111	50	5		JIBARO
CCCC[NH2+]CC1=C(C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1Cc1ccccc1	ZINC000013030103	556224854	/nfs/dbraw/zinc/22/48/54/556224854.db2.gz	FUZQRQYTPXVARO-QHCPKHFHSA-N	1	0	466.538	4.068	50	5		JIBARO
CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000057222990	569594868	/nfs/dbraw/zinc/59/48/68/569594868.db2.gz	IESSMZCAHPMEHT-UHFFFAOYSA-N	1	0	488.544	4.346	50	5		JIBARO
COCCN(C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000034740514	569655430	/nfs/dbraw/zinc/65/54/30/569655430.db2.gz	TYWXRCUCKPLMIU-JTHBVZDNSA-N	1	0	457.546	4.081	50	5		JIBARO
O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000100468280	569761734	/nfs/dbraw/zinc/76/17/34/569761734.db2.gz	FNLAKIZMSZZQKL-VXKWHMMOSA-N	1	0	462.550	4.351	50	5		JIBARO
Cc1ccc2oc3cc(NCCCN4CC[NH+](C)CC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1	ZINC000101061728	569780825	/nfs/dbraw/zinc/78/08/25/569780825.db2.gz	HAYSTKBWILZNGM-UHFFFAOYSA-N	1	0	482.584	4.299	50	5		JIBARO
CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000040151668	569819862	/nfs/dbraw/zinc/81/98/62/569819862.db2.gz	JPNZJBJFMLIOQP-KRWDZBQOSA-N	1	0	461.584	4.121	50	5		JIBARO
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1OC	ZINC000252346761	570079927	/nfs/dbraw/zinc/07/99/27/570079927.db2.gz	AIJDFFXFTOATQM-GEOQAGBISA-O	1	0	493.624	4.427	50	5		JIBARO
Cn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21	ZINC000009959396	195038141	/nfs/dbraw/zinc/03/81/41/195038141.db2.gz	IXCHZMKIRMEGAA-UHFFFAOYSA-N	1	0	484.560	4.052	50	5		JIBARO
COc1cc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c([N+](=O)[O-])c(OC)c1OC	ZINC000040121400	522124922	/nfs/dbraw/zinc/12/49/22/522124922.db2.gz	WPFDMWPKWUQUIY-IAGOWNOFSA-N	1	0	471.554	4.029	50	5		JIBARO
CC[N@@H+]1CCC[C@H]1CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	ZINC000012566379	556064179	/nfs/dbraw/zinc/06/41/79/556064179.db2.gz	CLVSVGQDKQQGML-FXAWDEMLSA-N	1	0	461.360	4.111	50	5		JIBARO
CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000034831253	569664099	/nfs/dbraw/zinc/66/40/99/569664099.db2.gz	HBZSZMHRFZNBGY-UHFFFAOYSA-N	1	0	494.571	4.032	50	5		JIBARO
COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1OC	ZINC000250839296	570079274	/nfs/dbraw/zinc/07/92/74/570079274.db2.gz	AIJDFFXFTOATQM-XYXFJSSBSA-O	1	0	493.624	4.427	50	5		JIBARO
Cc1ccc(S(=O)(=O)N(C[C@@H](O)C[NH+](CC(C)C)CC(C)C)c2cccc([N+](=O)[O-])c2)cc1	ZINC000001825469	194147186	/nfs/dbraw/zinc/14/71/86/194147186.db2.gz	GUKRMESAXABYSA-QHCPKHFHSA-N	1	0	477.627	4.073	50	5		JIBARO
O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1-c1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-]	ZINC000004199487	527464085	/nfs/dbraw/zinc/46/40/85/527464085.db2.gz	RKWBIMARBPLUTF-UHFFFAOYSA-N	1	0	461.909	4.024	50	5		JIBARO
COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c(OC)c1	ZINC000020155155	555675350	/nfs/dbraw/zinc/67/53/50/555675350.db2.gz	HGDAIUOVWQZKHD-GQIGUUNPSA-N	1	0	484.553	4.217	50	5		JIBARO
C[NH+](C)[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1	ZINC000013070876	556268771	/nfs/dbraw/zinc/26/87/71/556268771.db2.gz	VMABWUNCVPDZSY-OAQYLSRUSA-N	1	0	464.488	4.249	50	5		JIBARO
COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1	ZINC000057222829	569594729	/nfs/dbraw/zinc/59/47/29/569594729.db2.gz	SEWAREYODAZHMR-UHFFFAOYSA-N	1	0	488.544	4.264	50	5		JIBARO
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1OC	ZINC000252346762	570079919	/nfs/dbraw/zinc/07/99/19/570079919.db2.gz	AIJDFFXFTOATQM-PGBZWJAJSA-O	1	0	493.624	4.427	50	5		JIBARO
CCCC[NH+](CCCC)C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009075762	194521188	/nfs/dbraw/zinc/52/11/88/194521188.db2.gz	CNDHIKMVSMDOAY-QFIPXVFZSA-N	1	0	463.600	4.053	50	5		JIBARO
CC[NH+](CC)CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1nc2c(s1)c(Cl)ccc2OC	ZINC000012345264	555956131	/nfs/dbraw/zinc/95/61/31/555956131.db2.gz	BPEMFENXHJVGBC-UHFFFAOYSA-N	1	0	452.920	4.448	50	5		JIBARO
O=C(N[C@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1	ZINC000016041246	556121472	/nfs/dbraw/zinc/12/14/72/556121472.db2.gz	CYCWZGBHULTEAA-QILLFSRXSA-N	1	0	464.777	4.302	50	5		JIBARO
O=C(N[C@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-]	ZINC000016041355	556121490	/nfs/dbraw/zinc/12/14/90/556121490.db2.gz	DZCYACFALBXCCJ-DHSIGJKJSA-N	1	0	464.777	4.302	50	5		JIBARO
O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1CCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000028048481	556313835	/nfs/dbraw/zinc/31/38/35/556313835.db2.gz	RDHULIIVVQNNTE-UHFFFAOYSA-N	1	0	497.599	4.381	50	5		JIBARO
COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(Cn2nc(C)c([N+](=O)[O-])c2C)c1	ZINC000032109688	556419824	/nfs/dbraw/zinc/41/98/24/556419824.db2.gz	GLKBBIRRDHUILJ-QHCPKHFHSA-N	1	0	461.522	4.190	50	5	biogenic	JIBARO
COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)[NH+]2CCCCC2)cc1	ZINC000068838410	569692593	/nfs/dbraw/zinc/69/25/93/569692593.db2.gz	AREQXKKVLYDOIL-HSZRJFAPSA-N	1	0	488.610	4.027	50	5		JIBARO
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1OC	ZINC000252346760	570079968	/nfs/dbraw/zinc/07/99/68/570079968.db2.gz	AIJDFFXFTOATQM-FNTJKTGQSA-O	1	0	493.624	4.427	50	5		JIBARO
O=C(NCC1CC[NH+](Cc2ccc(F)cc2)CC1)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-]	ZINC000020516260	527609316	/nfs/dbraw/zinc/60/93/16/527609316.db2.gz	XRJSMEKKHFMEKE-UHFFFAOYSA-N	1	0	495.599	4.498	50	5		JIBARO
Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000057264327	569594925	/nfs/dbraw/zinc/59/49/25/569594925.db2.gz	QIKCLWQVIVGXGA-UHFFFAOYSA-N	1	0	484.560	4.099	50	5		JIBARO
O[C@@H](COC[C@H]1COc2ccccc2O1)C[N+]1(Cc2cccc(Oc3ccccc3)c2)CCOCC1	ZINC000003171178	194234067	/nfs/dbraw/zinc/23/40/67/194234067.db2.gz	ZNLWJUXDWGDGPH-SQHAQQRYSA-N	1	0	492.592	4.043	50	5		JIBARO
O=C(N[C@H](OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1	ZINC000002129600	554059656	/nfs/dbraw/zinc/05/96/56/554059656.db2.gz	CYCWZGBHULTEAA-QGPMSJSTSA-N	1	0	464.777	4.302	50	5		JIBARO
O=C(N[C@H](OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1	ZINC000002140430	554063761	/nfs/dbraw/zinc/06/37/61/554063761.db2.gz	JKQCVFYUZYSNEZ-QGPMSJSTSA-N	1	0	464.777	4.302	50	5		JIBARO
COc1cccc([C@@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)[NH+]2CCCC2)c1	ZINC000013068682	556265070	/nfs/dbraw/zinc/26/50/70/556265070.db2.gz	DCOUFTXGUPWESC-RUZDIDTESA-N	1	0	466.582	4.407	50	5		JIBARO
C[NH+](C)[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1	ZINC000013070873	556268775	/nfs/dbraw/zinc/26/87/75/556268775.db2.gz	VMABWUNCVPDZSY-NRFANRHFSA-N	1	0	464.488	4.249	50	5		JIBARO
CC[C@H](C)NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035870342	569718354	/nfs/dbraw/zinc/71/83/54/569718354.db2.gz	IVRWSTOPOOHKEF-JFJYTDJESA-N	1	0	456.974	4.026	50	5		JIBARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccn2c(=O)c3cc(Br)ccc3nc12	ZINC000020646299	195194840	/nfs/dbraw/zinc/19/48/40/195194840.db2.gz	NFCZBPYXPOKVJT-UHFFFAOYSA-N	1	0	491.389	4.005	50	5		JIBARO
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1	ZINC000021018138	195267244	/nfs/dbraw/zinc/26/72/44/195267244.db2.gz	STQJQCVCDXAFOI-UHFFFAOYSA-N	1	0	455.902	4.162	50	5		JIBARO
CCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	ZINC000008606716	523187466	/nfs/dbraw/zinc/18/74/66/523187466.db2.gz	XQATVQYODUWDAR-UHFFFAOYSA-N	1	0	451.527	4.214	50	5		JIBARO
Cc1ccc(-c2nn(-c3cc(N4CC[NH+](C)CC4)ccc3[N+](=O)[O-])c(=O)c3ccccc32)cc1	ZINC000009271758	525836930	/nfs/dbraw/zinc/83/69/30/525836930.db2.gz	MTZYZAOSBCTCKF-UHFFFAOYSA-N	1	0	455.518	4.021	50	5		JIBARO
C[C@H]1C=CC=C(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)[NH2+]1	ZINC000027460231	526209894	/nfs/dbraw/zinc/20/98/94/526209894.db2.gz	XWBIOHAPXYUADL-FKIZINRSSA-N	1	0	494.301	4.398	50	5		JIBARO
O=C(N[C@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-]	ZINC000009033499	554867630	/nfs/dbraw/zinc/86/76/30/554867630.db2.gz	DZCYACFALBXCCJ-JCKWVBRZSA-N	1	0	464.777	4.302	50	5	biogenic	JIBARO
CCCC[NH+](CCCC)C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009075763	554886948	/nfs/dbraw/zinc/88/69/48/554886948.db2.gz	CNDHIKMVSMDOAY-JOCHJYFZSA-N	1	0	463.600	4.053	50	5		JIBARO
O=C(CCN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000017179105	556233701	/nfs/dbraw/zinc/23/37/01/556233701.db2.gz	VTBWKUVXXSMHPR-NDEPHWFRSA-N	1	0	497.599	4.480	50	5		JIBARO
CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000034814845	569662904	/nfs/dbraw/zinc/66/29/04/569662904.db2.gz	IVMZDDOUIVNWRN-UHFFFAOYSA-N	1	0	490.608	4.283	50	5		JIBARO
COc1cc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c([N+](=O)[O-])c(OC)c1OC	ZINC000040121399	569816798	/nfs/dbraw/zinc/81/67/98/569816798.db2.gz	WPFDMWPKWUQUIY-IRXDYDNUSA-N	1	0	471.554	4.029	50	5		JIBARO
CC[N@@H+]1CCC[C@H]1CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	ZINC000035526408	569698850	/nfs/dbraw/zinc/69/88/50/569698850.db2.gz	CLVSVGQDKQQGML-PXNSSMCTSA-N	1	0	461.360	4.111	50	5		JIBARO
C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])C1	ZINC000245224960	570054841	/nfs/dbraw/zinc/05/48/41/570054841.db2.gz	IYHRRCLCHQPQKB-AQNXPRMDSA-N	1	0	464.632	4.001	50	5		JIBARO
CC(C)(CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1	ZINC000058305449	195376659	/nfs/dbraw/zinc/37/66/59/195376659.db2.gz	WJWRQKYIKBNINA-UHFFFAOYSA-N	1	0	451.445	4.103	50	5		JIBARO
O=C(N[C@@H](OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1	ZINC000002140431	554063733	/nfs/dbraw/zinc/06/37/33/554063733.db2.gz	JKQCVFYUZYSNEZ-KYJSFNMBSA-N	1	0	464.777	4.302	50	5		JIBARO
Cn1c2ccccc2c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1=O	ZINC000019288183	556337749	/nfs/dbraw/zinc/33/77/49/556337749.db2.gz	XIVOLEKHEMYRBO-UHFFFAOYSA-N	1	0	454.530	4.358	50	5		JIBARO
CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)cc1	ZINC000032958320	556572281	/nfs/dbraw/zinc/57/22/81/556572281.db2.gz	MUBMBZHMUQXXNC-UHFFFAOYSA-N	1	0	481.597	4.299	50	5		JIBARO
C[C@H](NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12)c1ccccc1	ZINC000035870387	569718262	/nfs/dbraw/zinc/71/82/62/569718262.db2.gz	WZNBBAUNUWMONR-DNKZPPIMSA-N	1	0	488.563	4.474	50	5		JIBARO
CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000009908023	195018898	/nfs/dbraw/zinc/01/88/98/195018898.db2.gz	KQPJJZYWFSRKAA-UHFFFAOYSA-N	1	0	492.532	4.426	50	5		JIBARO
Cc1ccc(C)c(-c2nn(-c3cc(N4CC[NH+](C)CC4)ccc3[N+](=O)[O-])c(=O)c3ccccc32)c1	ZINC000009720914	555452809	/nfs/dbraw/zinc/45/28/09/555452809.db2.gz	DWIWRLWXZBCHFJ-UHFFFAOYSA-N	1	0	469.545	4.330	50	5		JIBARO
CC[NH+]1CCN(c2c(CN(C(=O)c3cccc([N+](=O)[O-])c3)C3CC3)c(C)nn2-c2ccccc2)CC1	ZINC000034831243	569664148	/nfs/dbraw/zinc/66/41/48/569664148.db2.gz	BZKPPPGCFBOJPT-UHFFFAOYSA-N	1	0	488.592	4.036	50	5		JIBARO
COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)[NH+]2CCCCC2)cc1	ZINC000068838412	569692500	/nfs/dbraw/zinc/69/25/00/569692500.db2.gz	AREQXKKVLYDOIL-QHCPKHFHSA-N	1	0	488.610	4.027	50	5		JIBARO
COc1cc(N(C)CC[NH+](C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(C)c3ccccc23)n1	ZINC000146568246	569867851	/nfs/dbraw/zinc/86/78/51/569867851.db2.gz	PKEPAQKEINNCAB-UHFFFAOYSA-N	1	0	475.553	4.294	50	5		JIBARO
Cn1c2ccccc2c(N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c([N+](=O)[O-])c1=O	ZINC000020057801	555621176	/nfs/dbraw/zinc/62/11/76/555621176.db2.gz	DYBUYQQSNYCNAM-UHFFFAOYSA-N	1	0	452.514	4.339	50	5		JIBARO
O=C(N[C@H](OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-]	ZINC000016041357	556121537	/nfs/dbraw/zinc/12/15/37/556121537.db2.gz	DZCYACFALBXCCJ-QIIPPGSGSA-N	1	0	464.777	4.302	50	5		JIBARO
CC(C)[NH+](CCNS(=O)(=O)c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1)C(C)C	ZINC000013040363	556243349	/nfs/dbraw/zinc/24/33/49/556243349.db2.gz	ZTINTMUJDASECJ-UHFFFAOYSA-N	1	0	469.007	4.257	50	5		JIBARO
Cc1nn(Cc2ccc(C(=O)N3CCC[N@H+](Cc4ccc(C)cc4)CC3)cc2)c(C)c1[N+](=O)[O-]	ZINC000029826526	556358389	/nfs/dbraw/zinc/35/83/89/556358389.db2.gz	JCIJPXNSFAFECK-UHFFFAOYSA-N	1	0	461.566	4.113	50	5		JIBARO
COc1ccccc1[C@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)[NH+]1CCCCC1	ZINC000068734292	569691913	/nfs/dbraw/zinc/69/19/13/569691913.db2.gz	HJQUAVWZSCWVDA-DEOSSOPVSA-N	1	0	491.592	4.422	50	5		JIBARO
CC(C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035894735	569723242	/nfs/dbraw/zinc/72/32/42/569723242.db2.gz	RWBHFHDWBSSXGJ-LADGPHEKSA-N	1	0	471.001	4.274	50	5		JIBARO
C[C@@H]1CC[C@H]2C(=O)N(c3ccc(N4CCN(Cc5ccc(Cl)cc5)CC4)c([N+](=O)[O-])c3)C(=O)[C@H]2C1	ZINC000104798401	569846424	/nfs/dbraw/zinc/84/64/24/569846424.db2.gz	PALKZRJFAHLFAX-YHYVQYDKSA-N	1	0	496.995	4.496	50	5		JIBARO
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1	ZINC000009908017	195019050	/nfs/dbraw/zinc/01/90/50/195019050.db2.gz	AXBXJGPSYKSDHM-UHFFFAOYSA-N	1	0	478.505	4.036	50	5		JIBARO
O=C(Nc1ccc(Br)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C1CC[NH2+]CC1	ZINC000020941192	195255489	/nfs/dbraw/zinc/25/54/89/195255489.db2.gz	PXGVZUQUCVCBDI-UHFFFAOYSA-N	1	0	470.327	4.262	50	5		JIBARO
COc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C2CC[NH2+]CC2)cc1Cl	ZINC000020941171	195255579	/nfs/dbraw/zinc/25/55/79/195255579.db2.gz	SZHJHRZGPJBNAN-UHFFFAOYSA-N	1	0	455.902	4.162	50	5		JIBARO
O=C(N[C@@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1	ZINC000008914405	554807386	/nfs/dbraw/zinc/80/73/86/554807386.db2.gz	JKQCVFYUZYSNEZ-LESCRADOSA-N	1	0	464.777	4.302	50	5	biogenic	JIBARO
O=C1N=C2N(CC[NH+]3CCCCC3)c3ccccc3N2/C1=C\c1cc([N+](=O)[O-])ccc1Cl	ZINC000032703141	556472359	/nfs/dbraw/zinc/47/23/59/556472359.db2.gz	GPXBTXVAQNCDFE-QNGOZBTKSA-N	1	0	451.914	4.298	50	5		JIBARO
COCCN(C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000034740513	569655393	/nfs/dbraw/zinc/65/53/93/569655393.db2.gz	FJZRMNQQFVETCO-ZJSXRUAMSA-N	1	0	457.546	4.081	50	5		JIBARO
O=C(NCc1cccc(F)c1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12	ZINC000035871007	569718425	/nfs/dbraw/zinc/71/84/25/569718425.db2.gz	ZUVHMSNDFHCNEA-AZGAKELHSA-N	1	0	492.526	4.053	50	5		JIBARO
Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NCCC[NH+](C)C)cc1	ZINC000012732673	195098955	/nfs/dbraw/zinc/09/89/55/195098955.db2.gz	AAVOXWIZJYSGEP-XLNRJJMWSA-N	1	0	476.533	4.002	50	5		JIBARO
COc1cc(Cl)c(C)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C1CC[NH2+]CC1	ZINC000020941167	195255638	/nfs/dbraw/zinc/25/56/38/195255638.db2.gz	BCQDHTHRCQAEQZ-UHFFFAOYSA-N	1	0	469.929	4.470	50	5		JIBARO
CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3n2)CC1	ZINC000020108610	521696574	/nfs/dbraw/zinc/69/65/74/521696574.db2.gz	OALBVUKKQBMOFN-UHFFFAOYSA-N	1	0	453.930	4.499	50	5		JIBARO
Cc1ccc(CC[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2F)cc1	ZINC000020155093	555674886	/nfs/dbraw/zinc/67/48/86/555674886.db2.gz	FYSFXVWXEFCPMX-UHFFFAOYSA-N	1	0	450.470	4.065	50	5		JIBARO
Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000057264330	569594987	/nfs/dbraw/zinc/59/49/87/569594987.db2.gz	NZFPYWRQZPDQSI-UHFFFAOYSA-N	1	0	484.560	4.099	50	5		JIBARO
COCCN(C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000034740515	569655354	/nfs/dbraw/zinc/65/53/54/569655354.db2.gz	TYWXRCUCKPLMIU-FYYLOGMGSA-N	1	0	457.546	4.081	50	5		JIBARO
C[C@H](NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12)c1ccccc1	ZINC000169681871	569870975	/nfs/dbraw/zinc/87/09/75/569870975.db2.gz	WZNBBAUNUWMONR-UYDITSSVSA-N	1	0	488.563	4.474	50	5		JIBARO
O[C@@H](COC[C@@H]1COc2ccccc2O1)C[N+]1(Cc2cccc(Oc3ccccc3)c2)CCOCC1	ZINC000003171182	194234013	/nfs/dbraw/zinc/23/40/13/194234013.db2.gz	ZNLWJUXDWGDGPH-SHQCIBLASA-N	1	0	492.592	4.043	50	5		JIBARO
C[NH2+][C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	ZINC000003814434	194361558	/nfs/dbraw/zinc/36/15/58/194361558.db2.gz	HKSZLNNOFSGOKW-FYTWVXJKSA-N	1	0	466.541	4.354	50	5	in-vivo	JIBARO
O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000013524092	555486707	/nfs/dbraw/zinc/48/67/07/555486707.db2.gz	FNLAKIZMSZZQKL-FGZHOGPDSA-N	1	0	462.550	4.351	50	5		JIBARO
COc1cccc([C@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)[NH+]2CCCC2)c1	ZINC000013068684	556265104	/nfs/dbraw/zinc/26/51/04/556265104.db2.gz	DCOUFTXGUPWESC-VWLOTQADSA-N	1	0	466.582	4.407	50	5		JIBARO
O=C(c1c2ccccc2cc2ccccc21)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1	ZINC000008662766	569592642	/nfs/dbraw/zinc/59/26/42/569592642.db2.gz	LDQKDRLEMKIYMC-DEOSSOPVSA-N	1	0	485.628	4.168	50	5		JIBARO
Cc1ccc2[nH]c3c(cc(NCCCN4CC[NH+](C)CC4)c4c(=O)c5ccccc5c(=O)c34)oc2c1	ZINC000101066183	569780939	/nfs/dbraw/zinc/78/09/39/569780939.db2.gz	CLRLOBMYPDZRIS-UHFFFAOYSA-N	1	0	482.584	4.299	50	5		JIBARO
C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])C1	ZINC000040149313	569818847	/nfs/dbraw/zinc/81/88/47/569818847.db2.gz	IYHRRCLCHQPQKB-VAMGGRTRSA-N	1	0	464.632	4.001	50	5		JIBARO
C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])C1	ZINC000245224961	570054807	/nfs/dbraw/zinc/05/48/07/570054807.db2.gz	IYHRRCLCHQPQKB-ZCNNSNEGSA-N	1	0	464.632	4.001	50	5		JIBARO
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1OC	ZINC000252346763	570079974	/nfs/dbraw/zinc/07/99/74/570079974.db2.gz	AIJDFFXFTOATQM-QZGPKSQQSA-O	1	0	493.624	4.427	50	5		JIBARO
Cn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000009959392	195038086	/nfs/dbraw/zinc/03/80/86/195038086.db2.gz	LMZWGQLRHOPQAH-UHFFFAOYSA-N	1	0	484.560	4.052	50	5		JIBARO
CCOC(=O)C1=C(c2ccccc2)NC(=[NH2+])N[C@H]1c1ccc(Oc2ccc(OC)cc2)c([N+](=O)[O-])c1	ZINC000012641763	195071329	/nfs/dbraw/zinc/07/13/29/195071329.db2.gz	VIWRKTRVHIHSSF-DEOSSOPVSA-N	1	0	488.500	4.329	50	5		JIBARO
O=C(c1c2ccccc2cc2ccccc21)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1	ZINC000003962830	554471903	/nfs/dbraw/zinc/47/19/03/554471903.db2.gz	LDQKDRLEMKIYMC-XMMPIXPASA-N	1	0	485.628	4.168	50	5	in-vivo	JIBARO
COc1c2c(c(Br)c3c1C[N@+](C)(Cc1cc(=O)oc4ccc(C)cc14)CC3)OCO2	ZINC000824528241	717191531	/nfs/dbraw/zinc/19/15/31/717191531.db2.gz	OPYOSHUAFAOECR-VWLOTQADSA-N	1	0	473.343	4.304	50	5		JIBARO
CCOC(=O)c1c(NC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2[N+](=O)[O-])sc2c1CCCC2	ZINC000000939116	553875769	/nfs/dbraw/zinc/87/57/69/553875769.db2.gz	UHZBSNZROYSULB-UHFFFAOYSA-N	1	0	486.594	4.106	50	5		JIBARO
Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NCCC[NH+](C)C)cc1	ZINC000002054255	554012807	/nfs/dbraw/zinc/01/28/07/554012807.db2.gz	DAFPTHXWZCKQGM-HAVVHWLPSA-N	1	0	476.533	4.002	50	5		JIBARO
COc1ccc(C[N@@H+]2CCCN(c3ccc(S(=O)(=O)Nc4ccccc4)cc3[N+](=O)[O-])CC2)cc1	ZINC000009378607	555140258	/nfs/dbraw/zinc/14/02/58/555140258.db2.gz	QUYNWUZJCACAAZ-UHFFFAOYSA-N	1	0	496.589	4.117	50	5		JIBARO
COCCN(C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000034740512	569655298	/nfs/dbraw/zinc/65/52/98/569655298.db2.gz	FJZRMNQQFVETCO-XUZZJYLKSA-N	1	0	457.546	4.081	50	5		JIBARO
Cc1ccc(S(=O)(=O)N(C[C@H](O)C[NH+](CC(C)C)CC(C)C)c2cccc([N+](=O)[O-])c2)cc1	ZINC000001825468	194147163	/nfs/dbraw/zinc/14/71/63/194147163.db2.gz	GUKRMESAXABYSA-HSZRJFAPSA-N	1	0	477.627	4.073	50	5		JIBARO
C[N+](C)(CCOC(=O)[C@](O)(c1ccccc1)C1CCCC1)COC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000009056973	194515442	/nfs/dbraw/zinc/51/54/42/194515442.db2.gz	SZYGKUTXRIDPES-NIOOHAQASA-N	1	0	484.657	4.401	50	5		JIBARO
CC[NH+](CC)CCn1c(NC(=O)c2ccc(Cn3nc([N+](=O)[O-])c(Cl)c3C)o2)nc2ccccc21	ZINC000004391547	520714734	/nfs/dbraw/zinc/71/47/34/520714734.db2.gz	OHYQEDIDEJTZOI-UHFFFAOYSA-N	1	0	499.959	4.338	50	5		JIBARO
COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)cc(OC)c1	ZINC000036075065	522720052	/nfs/dbraw/zinc/72/00/52/522720052.db2.gz	DFCIHROEZVINHK-WJONJSRFSA-N	1	0	484.553	4.217	50	5		JIBARO
COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc(OC)c1	ZINC000020155164	522720700	/nfs/dbraw/zinc/72/07/00/522720700.db2.gz	DFCIHROEZVINHK-ZMPRRUGASA-N	1	0	484.553	4.217	50	5		JIBARO
CC[NH+](CC)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000002853554	554381577	/nfs/dbraw/zinc/38/15/77/554381577.db2.gz	QOWYEXUYBUXDIX-HXUWFJFHSA-N	1	0	455.898	4.242	50	5		JIBARO
Cc1ccc(N2CC[NH+](CCc3nc4cc(NC(=O)c5ccc([N+](=O)[O-])cc5)ccc4n3C)CC2)cc1	ZINC000009110233	554898237	/nfs/dbraw/zinc/89/82/37/554898237.db2.gz	QQTFFPLSOBVRDZ-UHFFFAOYSA-N	1	0	498.587	4.407	50	5		JIBARO
CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000014651328	555837044	/nfs/dbraw/zinc/83/70/44/555837044.db2.gz	VWNAPPXQGJKWKH-UHFFFAOYSA-N	1	0	464.570	4.141	50	5		JIBARO
C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(N4CCN(Cc5ccc(Cl)cc5)CC4)c([N+](=O)[O-])c3)C(=O)[C@H]2C1	ZINC000104798397	569846437	/nfs/dbraw/zinc/84/64/37/569846437.db2.gz	PALKZRJFAHLFAX-WTNAPCKOSA-N	1	0	496.995	4.496	50	5		JIBARO
Cn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000009959388	195038103	/nfs/dbraw/zinc/03/81/03/195038103.db2.gz	GURHRPLGQFKJJO-UHFFFAOYSA-N	1	0	484.560	4.052	50	5		JIBARO
Cc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NCCC[NH+](C)C)cc1	ZINC000012732678	195099348	/nfs/dbraw/zinc/09/93/48/195099348.db2.gz	QFOLMPFZCVBCTJ-QJOMJCCJSA-N	1	0	476.533	4.002	50	5		JIBARO
Cc1ccc(S(=O)(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-]	ZINC000048331715	525522951	/nfs/dbraw/zinc/52/29/51/525522951.db2.gz	JMDAZGCINRUYBA-UHFFFAOYSA-N	1	0	471.501	4.207	50	5		JIBARO
O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1	ZINC000008455654	554599889	/nfs/dbraw/zinc/59/98/89/554599889.db2.gz	AJUSRDDPUBVFNX-UHFFFAOYSA-N	1	0	465.550	4.493	50	5		JIBARO
C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1	ZINC000012537369	556010528	/nfs/dbraw/zinc/01/05/28/556010528.db2.gz	SQOJKPHTYDOLOP-UHFFFAOYSA-N	1	0	460.965	4.199	50	5		JIBARO
O=C(N[C@H](OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1	ZINC000016041248	556121525	/nfs/dbraw/zinc/12/15/25/556121525.db2.gz	CYCWZGBHULTEAA-UWWQBHOKSA-N	1	0	464.777	4.302	50	5		JIBARO
O=C(N[C@@H](OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-]	ZINC000002137262	554062586	/nfs/dbraw/zinc/06/25/86/554062586.db2.gz	DZCYACFALBXCCJ-SIIHOXLZSA-N	1	0	464.777	4.302	50	5		JIBARO
C[NH+](C)C1(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCCC1	ZINC000009585502	555395100	/nfs/dbraw/zinc/39/51/00/555395100.db2.gz	PJBIBTJGAVYUQX-UHFFFAOYSA-N	1	0	461.566	4.371	50	5		JIBARO
CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000057222985	569595020	/nfs/dbraw/zinc/59/50/20/569595020.db2.gz	PTRYKPMUBLOAJN-UHFFFAOYSA-N	1	0	488.544	4.346	50	5		JIBARO
COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1OC	ZINC000250839301	570079284	/nfs/dbraw/zinc/07/92/84/570079284.db2.gz	AIJDFFXFTOATQM-YUDCRECKSA-O	1	0	493.624	4.427	50	5		JIBARO
O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000012791591	195132484	/nfs/dbraw/zinc/13/24/84/195132484.db2.gz	SOVOWUIFBBENNK-UHFFFAOYSA-N	1	0	476.327	4.469	50	5		JIBARO
C[C@@H]1C=CC=C(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)[NH2+]1	ZINC000027460238	526209592	/nfs/dbraw/zinc/20/95/92/526209592.db2.gz	XWBIOHAPXYUADL-MPBGBICISA-N	1	0	494.301	4.398	50	5		JIBARO
O=C1N=C2N(CC[NH+]3CCCCC3)c3ccccc3N2/C1=C/c1cc([N+](=O)[O-])ccc1Cl	ZINC000008397216	554572191	/nfs/dbraw/zinc/57/21/91/554572191.db2.gz	GPXBTXVAQNCDFE-RCCKNPSSSA-N	1	0	451.914	4.298	50	5		JIBARO
CCCC[NH+](CCCC)C[C@@H](O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009428111	555193677	/nfs/dbraw/zinc/19/36/77/555193677.db2.gz	SSAYYUVTNYJTOG-HSZRJFAPSA-N	1	0	477.627	4.362	50	5		JIBARO
COc1cccc(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](Cc4ccccc4)C[C@@H]23)c1	ZINC000169678532	569869208	/nfs/dbraw/zinc/86/92/08/569869208.db2.gz	NIFLYQITMKIWIF-RSXGOPAZSA-N	1	0	472.545	4.105	50	5		JIBARO
COc1cc2c(cc1OC)C(Cc1cc(OCc3ccccc3)c(OC)cc1[N+](=O)[O-])=[N+](C)CC2	ZINC000003051810	194219336	/nfs/dbraw/zinc/21/93/36/194219336.db2.gz	IWBHJRMNZJWHBQ-UHFFFAOYSA-N	1	0	477.537	4.430	50	5		JIBARO
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1	ZINC000009907989	195018821	/nfs/dbraw/zinc/01/88/21/195018821.db2.gz	KKCPKSJKTGIZPL-UHFFFAOYSA-N	1	0	478.505	4.036	50	5		JIBARO
CC(C)C(=O)Oc1cn(CCC[NH+]2CCOCC2)c2nc(C(C)C)n3c4ccccc4nc3c12	ZINC000020403662	519532280	/nfs/dbraw/zinc/53/22/80/519532280.db2.gz	GACLEKXPOQOTFW-UHFFFAOYSA-N	1	0	463.582	4.244	50	5		JIBARO
COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c(OC)c1	ZINC000036075052	524627094	/nfs/dbraw/zinc/62/70/94/524627094.db2.gz	HGDAIUOVWQZKHD-JXXFODFXSA-N	1	0	484.553	4.217	50	5		JIBARO
O=C(N[C@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1	ZINC000009033394	554867670	/nfs/dbraw/zinc/86/76/70/554867670.db2.gz	CYCWZGBHULTEAA-YXJHDRRASA-N	1	0	464.777	4.302	50	5	biogenic	JIBARO
CCCC[NH+](CCCC)C[C@H](O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009428109	555193695	/nfs/dbraw/zinc/19/36/95/555193695.db2.gz	SSAYYUVTNYJTOG-QHCPKHFHSA-N	1	0	477.627	4.362	50	5		JIBARO
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000071811108	569698601	/nfs/dbraw/zinc/69/86/01/569698601.db2.gz	VRXVCTLIYROBJK-INIZCTEOSA-N	1	0	464.975	4.114	50	5		JIBARO
CC[C@H](C)NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035870340	569718242	/nfs/dbraw/zinc/71/82/42/569718242.db2.gz	IVRWSTOPOOHKEF-POCHDABASA-N	1	0	456.974	4.026	50	5		JIBARO
C[C@H](NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12)c1ccccc1	ZINC000035870389	569718266	/nfs/dbraw/zinc/71/82/66/569718266.db2.gz	WZNBBAUNUWMONR-YDOVEJIGSA-N	1	0	488.563	4.474	50	5		JIBARO
O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000100468275	569761731	/nfs/dbraw/zinc/76/17/31/569761731.db2.gz	FNLAKIZMSZZQKL-SZPZYZBQSA-N	1	0	462.550	4.351	50	5		JIBARO
CC[C@H](C)NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677677	569868818	/nfs/dbraw/zinc/86/88/18/569868818.db2.gz	IVRWSTOPOOHKEF-YROCYRMSSA-N	1	0	456.974	4.026	50	5		JIBARO
O=C(N[C@@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1	ZINC000009033392	194507628	/nfs/dbraw/zinc/50/76/28/194507628.db2.gz	CYCWZGBHULTEAA-LESCRADOSA-N	1	0	464.777	4.302	50	5	biogenic	JIBARO
Cc1cccc2nc(C[N+]3(Cc4cn5c(cccc5C)n4)CCC[C@H](c4ccnn4C)C3)cn21	ZINC000048261461	524989354	/nfs/dbraw/zinc/98/93/54/524989354.db2.gz	SDFKILVPULLBPF-QFIPXVFZSA-N	1	0	454.602	4.427	50	5		JIBARO
C[N+](C)(CCOC(=O)[C@@](O)(c1ccccc1)C1CCCC1)COC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000012371964	525358117	/nfs/dbraw/zinc/35/81/17/525358117.db2.gz	SZYGKUTXRIDPES-SCJINTMISA-N	1	0	484.657	4.401	50	5		JIBARO
C[NH+](C)CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2cc3c(cc2s1)OCO3	ZINC000010065955	555614002	/nfs/dbraw/zinc/61/40/02/555614002.db2.gz	CDGGDNWLAFABKA-UHFFFAOYSA-N	1	0	470.532	4.356	50	5		JIBARO
COc1ccc(C[NH+]2CCC(CNC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)CC2)cc1	ZINC000060185839	569608522	/nfs/dbraw/zinc/60/85/22/569608522.db2.gz	RKORTVRQTIHZRZ-UHFFFAOYSA-N	1	0	480.609	4.482	50	5		JIBARO
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000071811109	569698598	/nfs/dbraw/zinc/69/85/98/569698598.db2.gz	VRXVCTLIYROBJK-MRXNPFEDSA-N	1	0	464.975	4.114	50	5		JIBARO
CC(C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035894733	569723219	/nfs/dbraw/zinc/72/32/19/569723219.db2.gz	RWBHFHDWBSSXGJ-ISKFKSNPSA-N	1	0	471.001	4.274	50	5		JIBARO
CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000040151667	569819853	/nfs/dbraw/zinc/81/98/53/569819853.db2.gz	JPNZJBJFMLIOQP-QGZVFWFLSA-N	1	0	461.584	4.121	50	5		JIBARO
O[C@H](COC[C@H]1COc2ccccc2O1)C[N+]1(Cc2cccc(Oc3ccccc3)c2)CCOCC1	ZINC000003171175	194234009	/nfs/dbraw/zinc/23/40/09/194234009.db2.gz	ZNLWJUXDWGDGPH-IGKIAQTJSA-N	1	0	492.592	4.043	50	5		JIBARO
CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(C)cc4)c4ccccc4c3=O)c2)CC1	ZINC000009891919	195015742	/nfs/dbraw/zinc/01/57/42/195015742.db2.gz	ZGWZUQJTUDOCMK-UHFFFAOYSA-N	1	0	469.545	4.411	50	5		JIBARO
CCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	ZINC000009942151	195029622	/nfs/dbraw/zinc/02/96/22/195029622.db2.gz	IHPXVJPIEZHXII-UHFFFAOYSA-N	1	0	451.527	4.358	50	5		JIBARO
COc1cc(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c([N+](=O)[O-])c(OC)c1OC	ZINC000040121398	522126556	/nfs/dbraw/zinc/12/65/56/522126556.db2.gz	WPFDMWPKWUQUIY-CALCHBBNSA-N	1	0	471.554	4.029	50	5		JIBARO
CC[NH+](CC)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000002853553	554381629	/nfs/dbraw/zinc/38/16/29/554381629.db2.gz	QOWYEXUYBUXDIX-FQEVSTJZSA-N	1	0	455.898	4.242	50	5		JIBARO
O=C(N[C@@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-]	ZINC000009033497	554867625	/nfs/dbraw/zinc/86/76/25/554867625.db2.gz	DZCYACFALBXCCJ-JOQOYGCGSA-N	1	0	464.777	4.302	50	5	biogenic	JIBARO
CCCC[NH2+]CC1=C(C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1Cc1ccccc1	ZINC000013030100	556224849	/nfs/dbraw/zinc/22/48/49/556224849.db2.gz	FUZQRQYTPXVARO-HSZRJFAPSA-N	1	0	466.538	4.068	50	5		JIBARO
COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c(OC)c1	ZINC000036075054	524626764	/nfs/dbraw/zinc/62/67/64/524626764.db2.gz	HGDAIUOVWQZKHD-RZQQEMMASA-N	1	0	484.553	4.217	50	5		JIBARO
O=C(N[C@H](OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-]	ZINC000002137260	554062440	/nfs/dbraw/zinc/06/24/40/554062440.db2.gz	DZCYACFALBXCCJ-DDUZABMNSA-N	1	0	464.777	4.302	50	5		JIBARO
O=C(N[C@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1	ZINC000008914404	554807379	/nfs/dbraw/zinc/80/73/79/554807379.db2.gz	JKQCVFYUZYSNEZ-YXJHDRRASA-N	1	0	464.777	4.302	50	5	biogenic	JIBARO
CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CC[NH+](CC)CC2)sc2c1CCCC2	ZINC000009082868	554888397	/nfs/dbraw/zinc/88/83/97/554888397.db2.gz	BXQRZEJSYRTELI-UHFFFAOYSA-N	1	0	486.594	4.106	50	5		JIBARO
CC[NH+](CC)CCN(C(=O)c1ccc([N+](=O)[O-])s1)c1nc2cc3c(cc2s1)OCCO3	ZINC000010066917	555614060	/nfs/dbraw/zinc/61/40/60/555614060.db2.gz	NQWGVSSANQQGPA-UHFFFAOYSA-N	1	0	462.553	4.026	50	5		JIBARO
COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c(OC)c1	ZINC000020155160	555675363	/nfs/dbraw/zinc/67/53/63/555675363.db2.gz	HGDAIUOVWQZKHD-TWOQFEAHSA-N	1	0	484.553	4.217	50	5		JIBARO
C[C@@H]1C=CC=C(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)[NH2+]1	ZINC000027460226	556278727	/nfs/dbraw/zinc/27/87/27/556278727.db2.gz	XWBIOHAPXYUADL-ODXCJYRJSA-N	1	0	494.301	4.398	50	5		JIBARO
O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2)nc1)c1cc(F)cc(F)c1	ZINC000034681923	569643453	/nfs/dbraw/zinc/64/34/53/569643453.db2.gz	LCJMSGBFERLVSW-UHFFFAOYSA-N	1	0	467.476	4.233	50	5		JIBARO
Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CC(C)C)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000034834350	569664764	/nfs/dbraw/zinc/66/47/64/569664764.db2.gz	GIXUJUAYDYXETH-UHFFFAOYSA-N	1	0	490.608	4.139	50	5		JIBARO
CC[N@@H+]1CCC[C@@H]1CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	ZINC000035526407	569698833	/nfs/dbraw/zinc/69/88/33/569698833.db2.gz	CLVSVGQDKQQGML-XLIONFOSSA-N	1	0	461.360	4.111	50	5		JIBARO
COc1cccc(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](Cc4ccccc4)C[C@H]23)c1	ZINC000035870886	569718542	/nfs/dbraw/zinc/71/85/42/569718542.db2.gz	NIFLYQITMKIWIF-AZGAKELHSA-N	1	0	472.545	4.105	50	5		JIBARO
COc1cccc(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](Cc4ccccc4)C[C@@H]23)c1	ZINC000169678533	569869125	/nfs/dbraw/zinc/86/91/25/569869125.db2.gz	NIFLYQITMKIWIF-AHWVRZQESA-N	1	0	472.545	4.105	50	5		JIBARO
CC[NH+](CC)CCn1c(=O)c2sc3nc(C)cc(COC)c3c2nc1-c1ccccc1[N+](=O)[O-]	ZINC000012411649	520713041	/nfs/dbraw/zinc/71/30/41/520713041.db2.gz	DOEGCHKTTJEDCP-UHFFFAOYSA-N	1	0	481.578	4.378	50	5		JIBARO
CC[NH+](CC)CCn1c(=O)c2sc3nc(C)cc(COC)c3c2nc1-c1ccc([N+](=O)[O-])cc1	ZINC000012411646	520713399	/nfs/dbraw/zinc/71/33/99/520713399.db2.gz	SVVRQEIKBTVUFC-UHFFFAOYSA-N	1	0	481.578	4.378	50	5		JIBARO
CC[NH+](CC)[C@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1cccc(OC)c1	ZINC000011381402	555776360	/nfs/dbraw/zinc/77/63/60/555776360.db2.gz	VDOUXQBCXWVVKL-XMMPIXPASA-N	1	0	479.581	4.278	50	5		JIBARO
Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CC[NH+](Cc5ccccc5)CC4)c3)CC2)cc1	ZINC000055552692	569592113	/nfs/dbraw/zinc/59/21/13/569592113.db2.gz	UXWTVHASWHZCTR-UHFFFAOYSA-N	1	0	499.615	4.188	50	5		JIBARO
O=C(Nc1ccccc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000062569517	569611266	/nfs/dbraw/zinc/61/12/66/569611266.db2.gz	CGFUMIXSHXYQHW-UHFFFAOYSA-N	1	0	493.951	4.290	50	5		JIBARO
CC/N=c1/cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)NCCNCC[NH3+])c-2cc1C	ZINC000100051935	569752056	/nfs/dbraw/zinc/75/20/56/569752056.db2.gz	OPWRSOKNHDKQGQ-CLIDGEQKSA-N	1	0	499.659	4.452	50	5		JIBARO
C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])C1	ZINC000040149311	569818889	/nfs/dbraw/zinc/81/88/89/569818889.db2.gz	IYHRRCLCHQPQKB-HSALFYBXSA-N	1	0	464.632	4.001	50	5		JIBARO
O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4cccc(C(F)(F)F)c4)c(O)c23)cc1	ZINC000103612482	569836665	/nfs/dbraw/zinc/83/66/65/569836665.db2.gz	ZCOPCZXUIKICGA-FPOVZHCZSA-N	1	0	480.402	4.396	50	5		JIBARO
CCc1ccc(-c2nn(-c3cc(N4CC[NH+](C)CC4)ccc3[N+](=O)[O-])c(=O)c3ccccc32)cc1	ZINC000008809696	554688969	/nfs/dbraw/zinc/68/89/69/554688969.db2.gz	FUKREDAQHYDGEJ-UHFFFAOYSA-N	1	0	469.545	4.275	50	5		JIBARO
C[C@H](NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12)c1ccccc1	ZINC000169681873	569870902	/nfs/dbraw/zinc/87/09/02/569870902.db2.gz	WZNBBAUNUWMONR-BYGVMDBSSA-N	1	0	488.563	4.474	50	5		JIBARO
COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1OC	ZINC000250839290	570079279	/nfs/dbraw/zinc/07/92/79/570079279.db2.gz	AIJDFFXFTOATQM-WGEALZQMSA-O	1	0	493.624	4.427	50	5		JIBARO
O[C@H](COC[C@@H]1COc2ccccc2O1)C[N+]1(Cc2cccc(Oc3ccccc3)c2)CCOCC1	ZINC000003171180	194233954	/nfs/dbraw/zinc/23/39/54/194233954.db2.gz	ZNLWJUXDWGDGPH-RPLLCQBOSA-N	1	0	492.592	4.043	50	5		JIBARO
C[C@H]1C=CC=C(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)[NH2+]1	ZINC000027460221	526209477	/nfs/dbraw/zinc/20/94/77/526209477.db2.gz	XWBIOHAPXYUADL-YUNKPMOVSA-N	1	0	494.301	4.398	50	5		JIBARO
Cc1ccc(-c2nn(-c3cc(N4CC[NH+](C)CC4)ccc3[N+](=O)[O-])c(=O)c3ccccc32)cc1C	ZINC000008442948	554592722	/nfs/dbraw/zinc/59/27/22/554592722.db2.gz	ZLCGTXZMMGSJOB-UHFFFAOYSA-N	1	0	469.545	4.330	50	5		JIBARO
CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+][C@H](C)c2ccccc2)cc1	ZINC000020155053	555675018	/nfs/dbraw/zinc/67/50/18/555675018.db2.gz	RMKLZNKLJOCGHL-QGZVFWFLSA-N	1	0	490.516	4.313	50	5		JIBARO
COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)cc(OC)c1	ZINC000020155169	555675298	/nfs/dbraw/zinc/67/52/98/555675298.db2.gz	DFCIHROEZVINHK-PONJGIIJSA-N	1	0	484.553	4.217	50	5		JIBARO
CN1CC[NH+](CCCCNc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2[N+](=O)[O-])CC1	ZINC000029619480	556354254	/nfs/dbraw/zinc/35/42/54/556354254.db2.gz	PIFWCWIZUOAQBU-UHFFFAOYSA-N	1	0	461.566	4.440	50	5		JIBARO
COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(Cn2nc(C)c([N+](=O)[O-])c2C)c1	ZINC000032109687	556419821	/nfs/dbraw/zinc/41/98/21/556419821.db2.gz	GLKBBIRRDHUILJ-HSZRJFAPSA-N	1	0	461.522	4.190	50	5	biogenic	JIBARO
CC[NH+]1CCN(c2c(CN(C(=O)c3cccc([N+](=O)[O-])c3)C(C)C)c(C)nn2-c2ccccc2)CC1	ZINC000034831229	569664092	/nfs/dbraw/zinc/66/40/92/569664092.db2.gz	OFHPKFUYQRQGGU-UHFFFAOYSA-N	1	0	490.608	4.282	50	5		JIBARO
COc1cccc(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](Cc4ccccc4)C[C@H]23)c1	ZINC000035870885	569718463	/nfs/dbraw/zinc/71/84/63/569718463.db2.gz	NIFLYQITMKIWIF-AOYPEHQESA-N	1	0	472.545	4.105	50	5		JIBARO
Cc1cc(=O)c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000040119468	569816611	/nfs/dbraw/zinc/81/66/11/569816611.db2.gz	FZVBZADPDLZBEA-QGZVFWFLSA-N	1	0	461.522	4.076	50	5		JIBARO
CCOC(=O)C1=C(c2ccccc2)NC(=[NH2+])N[C@@H]1c1ccc(Oc2ccc(OC)cc2)c([N+](=O)[O-])c1	ZINC000012641757	195071421	/nfs/dbraw/zinc/07/14/21/195071421.db2.gz	VIWRKTRVHIHSSF-XMMPIXPASA-N	1	0	488.500	4.329	50	5		JIBARO
O=[N+]([O-])c1ccccc1S(=O)(=O)n1nc(C2CC[NH2+]CC2)cc1-c1ccc(Cl)cc1Cl	ZINC000008873619	527405659	/nfs/dbraw/zinc/40/56/59/527405659.db2.gz	LFIBIYNHAFJESP-UHFFFAOYSA-N	1	0	481.361	4.469	50	5		JIBARO
Cc1ccc(N2CC[NH+](CCc3nc4cc(NC(=O)c5cccc([N+](=O)[O-])c5)ccc4n3C)CC2)cc1	ZINC000009016022	554866193	/nfs/dbraw/zinc/86/61/93/554866193.db2.gz	TYWMUAVRCGJEHR-UHFFFAOYSA-N	1	0	498.587	4.407	50	5		JIBARO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c1	ZINC000012843648	556116776	/nfs/dbraw/zinc/11/67/76/556116776.db2.gz	FFKVAVACARKLAT-UHFFFAOYSA-N	1	0	488.953	4.254	50	5		JIBARO
Cc1cc(=O)c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000040119467	569816571	/nfs/dbraw/zinc/81/65/71/569816571.db2.gz	FZVBZADPDLZBEA-KRWDZBQOSA-N	1	0	461.522	4.076	50	5		JIBARO
CC[C@H](C)NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677675	569868785	/nfs/dbraw/zinc/86/87/85/569868785.db2.gz	IVRWSTOPOOHKEF-YTJPUZGESA-N	1	0	456.974	4.026	50	5		JIBARO
COCCN(C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000245329605	570066394	/nfs/dbraw/zinc/06/63/94/570066394.db2.gz	TYWXRCUCKPLMIU-GMAHTHKFSA-N	1	0	457.546	4.081	50	5		JIBARO
COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1OC	ZINC000250839284	570079288	/nfs/dbraw/zinc/07/92/88/570079288.db2.gz	AIJDFFXFTOATQM-GYZFZHSZSA-O	1	0	493.624	4.427	50	5		JIBARO