smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[N+](C)(C)C[C@@H](O)COc1ccc2ccccc2c1	ZINC000000307848	169604028	/nfs/dbraw/zinc/60/40/28/169604028.db2.gz	CJHVSQGLLNAXIL-QGZVFWFLSA-N	1	0	288.411	3.064	50	5		CGBARO
COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@H]1C	ZINC000004856339	170031029	/nfs/dbraw/zinc/03/10/29/170031029.db2.gz	AZGRRMFLIVWBTP-RISCZKNCSA-N	1	0	278.352	3.272	50	5		CGBARO
C[n+]1c2ccccc2sc1Cc1ccc([N+](=O)[O-])cc1	ZINC000000272125	280180774	/nfs/dbraw/zinc/18/07/74/280180774.db2.gz	WOHPPQBUEHCASY-UHFFFAOYSA-N	1	0	285.348	3.225	50	5		CGBARO
C[C@H]1C[C@H](C)C[NH+](CCCOc2ccccc2[N+](=O)[O-])C1	ZINC000002822809	368479542	/nfs/dbraw/zinc/47/95/42/368479542.db2.gz	PTLMVVWYWFSMLQ-KBPBESRZSA-N	1	0	292.379	3.342	50	5		CGBARO
Cc1ccc(OCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1	ZINC000003003898	368487974	/nfs/dbraw/zinc/48/79/74/368487974.db2.gz	HKDYNSIPOUOYEG-UHFFFAOYSA-N	1	0	278.352	3.158	50	5		CGBARO
C[NH+](C)CCSc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000083851146	370008901	/nfs/dbraw/zinc/00/89/01/370008901.db2.gz	IOYGNARXTOHCBJ-UHFFFAOYSA-N	1	0	294.298	3.267	50	5		CGBARO
C[C@@H]1C[C@H](C)C[N@@H+](CCCOc2ccccc2[N+](=O)[O-])C1	ZINC000002822807	368479718	/nfs/dbraw/zinc/47/97/18/368479718.db2.gz	PTLMVVWYWFSMLQ-OKILXGFUSA-N	1	0	292.379	3.342	50	5		CGBARO
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cc1[N+](=O)[O-]	ZINC000163875296	372496593	/nfs/dbraw/zinc/49/65/93/372496593.db2.gz	HPHMXOPHTDIMOF-NEPJUHHUSA-N	1	0	288.351	3.049	50	5		CGBARO
Cc1ccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)s1	ZINC000008413771	170335540	/nfs/dbraw/zinc/33/55/40/170335540.db2.gz	ZYNXFUJZHWGXKJ-UHFFFAOYSA-N	1	0	291.376	3.166	50	5		CGBARO
C[C@H](c1ccccc1)[C@H]1OC[C@@H](C[N+]2(C)CCCCC2)O1	ZINC000013572476	368657438	/nfs/dbraw/zinc/65/74/38/368657438.db2.gz	JGEAUUUFVBZFSN-NXHRZFHOSA-N	1	0	290.427	3.162	50	5		CGBARO
O=[N+]([O-])c1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1	ZINC000019798218	285138732	/nfs/dbraw/zinc/13/87/32/285138732.db2.gz	GTZHXBQPFWAUOT-INIZCTEOSA-N	1	0	293.326	3.311	50	5	biogenic	CGBARO
C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000020035362	278357805	/nfs/dbraw/zinc/35/78/05/278357805.db2.gz	FCBCKDRJNBHFGB-GFCCVEGCSA-N	1	0	256.305	3.446	50	5		CGBARO
CCC[N+]12CCC(CC1)[C@H](C(=O)c1cccs1)C2	ZINC000000198168	368312601	/nfs/dbraw/zinc/31/26/01/368312601.db2.gz	SXNLYKALCQBBGR-MFOWVQHXSA-N	1	0	264.414	3.197	50	5		CGBARO
CC[N+](C)(CC)CCOc1cc(C)c2ccccc2n1	ZINC000000551402	368386470	/nfs/dbraw/zinc/38/64/70/368386470.db2.gz	LALIGMCJOCNDJV-UHFFFAOYSA-N	1	0	273.400	3.408	50	5		CGBARO
Cc1cc(OCCC[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-]	ZINC000002823318	368480255	/nfs/dbraw/zinc/48/02/55/368480255.db2.gz	LCMHCDCFEGJVCG-CYBMUJFWSA-N	1	0	292.379	3.404	50	5		CGBARO
Cc1ccc(OCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1	ZINC000004845120	170029866	/nfs/dbraw/zinc/02/98/66/170029866.db2.gz	LZGNJPAFPONPFO-UHFFFAOYSA-N	1	0	278.352	3.014	50	5		CGBARO
C[C@@H](Cc1ccsc1)[NH2+]Cc1csc([N+](=O)[O-])c1	ZINC000049157236	416467550	/nfs/dbraw/zinc/46/75/50/416467550.db2.gz	RADSMJJXYWCMMY-VIFPVBQESA-N	1	0	282.390	3.439	50	5		CGBARO
C[N+](C)(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000002546532	368463917	/nfs/dbraw/zinc/46/39/17/368463917.db2.gz	GKFAUNWUHVSKDE-UHFFFAOYSA-N	1	0	261.301	3.061	50	5		CGBARO
Cc1ccc([N+](=O)[O-])c2c1[C@H]([NH+]1CCCC1)C(C)(C)O2	ZINC000004105244	169932240	/nfs/dbraw/zinc/93/22/40/169932240.db2.gz	NARJZUVUBYEUKW-AWEZNQCLSA-N	1	0	276.336	3.211	50	5		CGBARO
Cc1cc(C(C)(C)C)cc(C)c1C[N+]12CCN(CC1)CC2	ZINC000005903339	170152401	/nfs/dbraw/zinc/15/24/01/170152401.db2.gz	KMICKKKWVQMOEX-UHFFFAOYSA-N	1	0	287.471	3.247	50	5		CGBARO
O=[N+]([O-])c1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Cl)c1	ZINC000042774227	174872969	/nfs/dbraw/zinc/87/29/69/174872969.db2.gz	XCTQWLFORJWVPJ-JTQLQIEISA-N	1	0	284.743	3.017	50	5		CGBARO
O=[N+]([O-])c1cccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1	ZINC000019301130	280372975	/nfs/dbraw/zinc/37/29/75/280372975.db2.gz	URZDISYKQVHHJG-MRXNPFEDSA-N	1	0	293.326	3.311	50	5		CGBARO
C[N+]1(C)CCC[C@H](C(O)(c2ccccc2)c2ccccc2)C1	ZINC000001250193	300876575	/nfs/dbraw/zinc/87/65/75/300876575.db2.gz	VPANIVFJGZPDNU-IBGZPJMESA-N	1	0	296.434	3.409	50	5		CGBARO
Cc1cc2nc3ccc(N(C)C)cc3sc-2cc1=[NH2+]	ZINC000100389510	345911338	/nfs/dbraw/zinc/91/13/38/345911338.db2.gz	KZEUBCUXBNEMSQ-UHFFFAOYSA-N	1	0	269.373	3.255	50	5		CGBARO
C[N@H+](CCc1ccccc1)Cc1cccc([N+](=O)[O-])c1	ZINC000019633058	368758984	/nfs/dbraw/zinc/75/89/84/368758984.db2.gz	XQPNEVQVPHJIST-UHFFFAOYSA-N	1	0	270.332	3.269	50	5		CGBARO
C[N@+]1(Cc2ccccc2)CCC[C@H]1c1ccc(N)nc1	ZINC000245380052	376802907	/nfs/dbraw/zinc/80/29/07/376802907.db2.gz	PUHXBHUWCKYEFK-OXJNMPFZSA-N	1	0	268.384	3.146	50	5	biogenic,in-vitro	CGBARO
CC[NH+](CC)CCCCCOc1ccc([N+](=O)[O-])cc1	ZINC000003106086	618755961	/nfs/dbraw/zinc/75/59/61/618755961.db2.gz	NZISSDSPXZSSPT-UHFFFAOYSA-N	1	0	280.368	3.486	50	5		CGBARO
CCCC[N+]12CCC(CC1)[C@@H](OC(=O)c1ccccc1)C2	ZINC000001833734	368438392	/nfs/dbraw/zinc/43/83/92/368438392.db2.gz	VBOCSQAMZGTLAV-RMXPPQQLSA-N	1	0	288.411	3.253	50	5		CGBARO
O=[N+]([O-])c1cccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1	ZINC000019301129	285157079	/nfs/dbraw/zinc/15/70/79/285157079.db2.gz	URZDISYKQVHHJG-INIZCTEOSA-N	1	0	293.326	3.311	50	5		CGBARO
CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000237122121	256852696	/nfs/dbraw/zinc/85/26/96/256852696.db2.gz	RQSRQOTYWVQUDW-UHFFFAOYSA-N	1	0	262.334	3.433	50	5		CGBARO
O=[N+]([O-])c1ccccc1OCCC[NH2+]Cc1ccccc1	ZINC000002822014	368480113	/nfs/dbraw/zinc/48/01/13/368480113.db2.gz	RIPWKUPUKVSJMA-UHFFFAOYSA-N	1	0	286.331	3.154	50	5		CGBARO
O=[N+]([O-])c1ccc(C[NH+]2CCC(n3cccc3)CC2)cc1	ZINC000058526534	369570266	/nfs/dbraw/zinc/57/02/66/369570266.db2.gz	IKBOFRFUSOFSLK-UHFFFAOYSA-N	1	0	285.347	3.233	50	5		CGBARO
C[C@H](C[N+](C)(C)C)OC(=O)C1(c2ccccc2)CCCC1	ZINC000000186603	169567761	/nfs/dbraw/zinc/56/77/61/169567761.db2.gz	MTABZUJYGRMFFB-OAHLLOKOSA-N	1	0	290.427	3.136	50	5		CGBARO
COCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000102419415	397646515	/nfs/dbraw/zinc/64/65/15/397646515.db2.gz	OPHYGSISRJBWHM-UHFFFAOYSA-N	1	0	292.360	3.059	50	5		CGBARO
C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccccn1	ZINC000004980805	170048586	/nfs/dbraw/zinc/04/85/86/170048586.db2.gz	DFVQFBRINHBGHT-SOFGYWHQSA-N	1	0	297.358	3.178	50	5		CGBARO
O=[N+]([O-])c1cc(Cl)ccc1SC1CC[NH2+]CC1	ZINC000043190853	275033530	/nfs/dbraw/zinc/03/35/30/275033530.db2.gz	QBKBZUDYLOTZLF-UHFFFAOYSA-N	1	0	272.757	3.092	50	5		CGBARO
[NH3+]Cc1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1	ZINC000015724397	640987300	/nfs/dbraw/zinc/98/73/00/640987300.db2.gz	RZBLMTBJUIRTEN-UHFFFAOYSA-N	1	0	267.288	3.202	50	5		CGBARO
Cc1ccc2cc3c(cc2c1)C[N+]1(C3)CCOCC1	ZINC000000346430	368344011	/nfs/dbraw/zinc/34/40/11/368344011.db2.gz	XGXYNOAQHCYUGR-UHFFFAOYSA-N	1	0	254.353	3.009	50	5		CGBARO
C[C@H](c1ccccc1)[C@@H]1OC[C@H](C[N+]2(C)CCCCC2)O1	ZINC000004185221	368535472	/nfs/dbraw/zinc/53/54/72/368535472.db2.gz	JGEAUUUFVBZFSN-BPQIPLTHSA-N	1	0	290.427	3.162	50	5		CGBARO
CCC[N+](C)(C)[C@@H](C)[C@@H](OC(C)=O)c1ccccc1	ZINC000005252407	284098405	/nfs/dbraw/zinc/09/84/05/284098405.db2.gz	DEAFFDUUUHQLEP-XJKSGUPXSA-N	1	0	264.389	3.166	50	5		CGBARO
O=[N+]([O-])c1cccc(CSC2=[NH+][C@@H]3CCCC[C@H]3N2)c1	ZINC000009513724	170379777	/nfs/dbraw/zinc/37/97/77/170379777.db2.gz	YCSBHMUJRKKIKK-CHWSQXEVSA-N	1	0	291.376	3.098	50	5		CGBARO
COc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1C	ZINC000078394172	177337250	/nfs/dbraw/zinc/33/72/50/177337250.db2.gz	BGHVHNJNKILBQX-UHFFFAOYSA-N	1	0	286.331	3.202	50	5		CGBARO
C[n+]1ccc2ccccc2c1Cc1ccc([N+](=O)[O-])cc1	ZINC000004947534	280181180	/nfs/dbraw/zinc/18/11/80/280181180.db2.gz	VMLNTWLFGOTXIH-UHFFFAOYSA-N	1	0	279.319	3.163	50	5		CGBARO
CCC[N+](C)(C)Cc1ccccc1[Si](C)(C)C	ZINC000169794433	567003085	/nfs/dbraw/zinc/00/30/85/567003085.db2.gz	ZEDFBKATHLBPMS-UHFFFAOYSA-N	1	0	250.482	3.218	50	5		CGBARO
CC(C)([NH2+]Cc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1	ZINC000080347288	369987011	/nfs/dbraw/zinc/98/70/11/369987011.db2.gz	YNTFRLMGQQRKHQ-UHFFFAOYSA-N	1	0	286.331	3.325	50	5		CGBARO
O=[N+]([O-])c1sc2ccccc2c1-[n+]1ccccc1	ZINC000000245075	285190946	/nfs/dbraw/zinc/19/09/46/285190946.db2.gz	ZVCTYYFYKIXDAS-UHFFFAOYSA-N	1	0	257.294	3.086	50	5		CGBARO
C[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000002822366	169834868	/nfs/dbraw/zinc/83/48/68/169834868.db2.gz	CTUPSSVYEBTCNI-ZDUSSCGKSA-N	1	0	278.352	3.096	50	5		CGBARO
C[N+](C)(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000006417290	170199945	/nfs/dbraw/zinc/19/99/45/170199945.db2.gz	IZPHPMYPFGYCTJ-UHFFFAOYSA-N	1	0	261.301	3.061	50	5		CGBARO
CCC(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C	ZINC000058161203	369556695	/nfs/dbraw/zinc/55/66/95/369556695.db2.gz	DLAOAOUGNITWAB-UHFFFAOYSA-N	1	0	293.367	3.010	50	5		CGBARO
C[N@@+]1(Cc2ccccc2)CCC[C@@H]1c1ccc(N)nc1	ZINC000245380054	376802360	/nfs/dbraw/zinc/80/23/60/376802360.db2.gz	PUHXBHUWCKYEFK-UZLBHIALSA-N	1	0	268.384	3.146	50	5	biogenic,in-vitro	CGBARO
CCCCC(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12	ZINC000253389769	377689364	/nfs/dbraw/zinc/68/93/64/377689364.db2.gz	AOILQXDETFRWHF-ZMSDIMECSA-N	1	0	268.421	3.129	50	5	biogenic	CGBARO
O=[N+]([O-])c1cc(Cl)ccc1OCC[C@H]1CCCC[NH2+]1	ZINC000042771360	285091126	/nfs/dbraw/zinc/09/11/26/285091126.db2.gz	SNTHFAZOLCHVMZ-LLVKDONJSA-N	1	0	284.743	3.159	50	5		CGBARO
CCC[N+](C)(C)[C@H](C)[C@H](OC(C)=O)c1ccccc1	ZINC000005252404	391923385	/nfs/dbraw/zinc/92/33/85/391923385.db2.gz	DEAFFDUUUHQLEP-CJNGLKHVSA-N	1	0	264.389	3.166	50	5		CGBARO
Cc1ccc([N+](=O)[O-])c(OCCC[NH+]2CCCCC2)c1	ZINC000004841364	170027681	/nfs/dbraw/zinc/02/76/81/170027681.db2.gz	JUTYNAYCERKWOR-UHFFFAOYSA-N	1	0	278.352	3.158	50	5		CGBARO
CCC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1	ZINC000048275216	416447123	/nfs/dbraw/zinc/44/71/23/416447123.db2.gz	SWTSTGQFLIZNHX-UHFFFAOYSA-N	1	0	288.351	3.024	50	5		CGBARO
c1ccc(C[N+]23CCN(CC2)c2ccccc23)cc1	ZINC000002826127	326799182	/nfs/dbraw/zinc/79/91/82/326799182.db2.gz	ZOFNKCGKBBQCAY-UHFFFAOYSA-N	1	0	251.353	3.028	50	5		CGBARO
O=[N+]([O-])c1ccc2c(C[NH+]3CCCCC3)c[nH]c2c1	ZINC000001852915	368440631	/nfs/dbraw/zinc/44/06/31/368440631.db2.gz	CGHIJADMYOVGCZ-UHFFFAOYSA-N	1	0	259.309	3.062	50	5		CGBARO
Cc1ccc(OCCCC[NH2+]C(C)(C)C)c([N+](=O)[O-])c1	ZINC000003000431	368488092	/nfs/dbraw/zinc/48/80/92/368488092.db2.gz	HIVMCFCGFUEEPX-UHFFFAOYSA-N	1	0	280.368	3.450	50	5		CGBARO
CC[n+]1ccccc1/C=C/c1cccc([N+](=O)[O-])c1	ZINC000004774995	184532137	/nfs/dbraw/zinc/53/21/37/184532137.db2.gz	PSPOSUBAKSGDDM-MDZDMXLPSA-N	1	0	255.297	3.073	50	5		CGBARO
Cc1ccccc1[C@H](c1ccccc1)[N+](C)(C)CCO	ZINC000015637026	170673073	/nfs/dbraw/zinc/67/30/73/170673073.db2.gz	BGFWERKPECHIAR-SFHVURJKSA-N	1	0	270.396	3.153	50	5		CGBARO
Cc1c2ccccc2oc1C(=O)O[C@H](C)CC[N+](C)(C)C	ZINC000001755801	368437832	/nfs/dbraw/zinc/43/78/32/368437832.db2.gz	RWZOXMFVUMITHO-GFCCVEGCSA-N	1	0	290.383	3.383	50	5		CGBARO
Cc1ccc(C[NH2+]Cc2ccccc2)cc1[N+](=O)[O-]	ZINC000006940447	170256949	/nfs/dbraw/zinc/25/69/49/170256949.db2.gz	ZHMSNWNAFWEPMA-UHFFFAOYSA-N	1	0	256.305	3.193	50	5		CGBARO
CC(=O)O[C@H](C[N+]1(C)CCCCCC1)c1ccccc1	ZINC000000185817	368311966	/nfs/dbraw/zinc/31/19/66/368311966.db2.gz	TWZTWUWHHWIWNW-QGZVFWFLSA-N	1	0	276.400	3.311	50	5		CGBARO
CC[N+](C)(C)C[C@H]1CCCC[C@@]1(O)c1cccc(OC)c1	ZINC000000488905	368379058	/nfs/dbraw/zinc/37/90/58/368379058.db2.gz	RJAROMXLRSTRGU-SJLPKXTDSA-N	1	0	292.443	3.169	50	5	biogenic	CGBARO
CC[NH+](CC)CCNc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000004591599	368552128	/nfs/dbraw/zinc/55/21/28/368552128.db2.gz	MPLRBEWWXHLPPW-UHFFFAOYSA-N	1	0	271.748	3.002	50	5		CGBARO
C[N+](C)(C)CCOC(c1ccccc1)c1ccccc1	ZINC000000001666	169503159	/nfs/dbraw/zinc/50/31/59/169503159.db2.gz	LTWUEHSXIKQTIK-UHFFFAOYSA-N	1	0	270.396	3.499	50	5	in-man	CGBARO
O=C(NCC[N+]1(c2ccccc2)CCCC1)c1ccccc1	ZINC000004822773	170024033	/nfs/dbraw/zinc/02/40/33/170024033.db2.gz	FXWXEXYTZJFCQY-UHFFFAOYSA-O	1	0	295.406	3.218	50	5		CGBARO
CCOC(=O)c1ccc([C@H](C)[N+](C)(CC)CC)o1	ZINC000000507329	368381709	/nfs/dbraw/zinc/38/17/09/368381709.db2.gz	CBVJHPNQHKSMEF-NSHDSACASA-N	1	0	254.350	3.004	50	5		CGBARO
CC1CC[NH+](CCCCOc2ccccc2[N+](=O)[O-])CC1	ZINC000002957222	368485523	/nfs/dbraw/zinc/48/55/23/368485523.db2.gz	FUGFLZGGLPTLSE-UHFFFAOYSA-N	1	0	292.379	3.486	50	5		CGBARO
CCCC[NH2+]CCCCOc1ccccc1[N+](=O)[O-]	ZINC000002901295	368486092	/nfs/dbraw/zinc/48/60/92/368486092.db2.gz	NXQZAZHPIYACJZ-UHFFFAOYSA-N	1	0	266.341	3.144	50	5		CGBARO
Cc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000004906722	170039523	/nfs/dbraw/zinc/03/95/23/170039523.db2.gz	CJTKZIKEOLMTQQ-CYBMUJFWSA-N	1	0	278.352	3.014	50	5		CGBARO
CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])s1	ZINC000004988945	170050002	/nfs/dbraw/zinc/05/00/02/170050002.db2.gz	UWTXNBVTYGXDNT-SNVBAGLBSA-N	1	0	254.355	3.421	50	5		CGBARO
CC(=O)N(CCC[N+](C)(C)C)C[C@@H]1[C@H](C)C=C(C)C[C@H]1C	ZINC000101840641	618566705	/nfs/dbraw/zinc/56/67/05/618566705.db2.gz	FCGZADSCSSGARV-JFIYKMOQSA-N	1	0	295.491	3.170	50	5		CGBARO
CC(=O)N(CCC[N+](C)(C)C)C[C@@H]1[C@@H](C)C=C(C)C[C@@H]1C	ZINC000229473707	623137214	/nfs/dbraw/zinc/13/72/14/623137214.db2.gz	FCGZADSCSSGARV-XYJFISCASA-N	1	0	295.491	3.170	50	5		CGBARO
O=[N+]([O-])c1ccccc1OCCCC[NH2+]Cc1ccco1	ZINC000003247008	368498604	/nfs/dbraw/zinc/49/86/04/368498604.db2.gz	FGAFDROPXCVWFN-UHFFFAOYSA-N	1	0	290.319	3.137	50	5		CGBARO
O=[N+]([O-])c1ccc(C[NH2+]CCc2cccc(F)c2)cc1	ZINC000019720754	368761811	/nfs/dbraw/zinc/76/18/11/368761811.db2.gz	WNELPJCUWPWLCU-UHFFFAOYSA-N	1	0	274.295	3.066	50	5		CGBARO
CCC[N@@H+](Cc1ccc([N+](=O)[O-])s1)CC1CC1	ZINC000000215842	618633149	/nfs/dbraw/zinc/63/31/49/618633149.db2.gz	IVTVWRMMPWUQQO-UHFFFAOYSA-N	1	0	254.355	3.278	50	5		CGBARO
O=[N+]([O-])c1ccc(OCC[NH+]2CCCCC2)c(Cl)c1	ZINC000095836813	185029506	/nfs/dbraw/zinc/02/95/06/185029506.db2.gz	LGXVFIOYPCUSRF-UHFFFAOYSA-N	1	0	284.743	3.113	50	5		CGBARO
CCCCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004054450	368529836	/nfs/dbraw/zinc/52/98/36/368529836.db2.gz	XUDHZSFABKEGLF-UHFFFAOYSA-N	1	0	291.395	3.297	50	5		CGBARO
O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)c1	ZINC000047272566	369311390	/nfs/dbraw/zinc/31/13/90/369311390.db2.gz	QZEQERWRTZTGNG-UONOGXRCSA-N	1	0	295.770	3.287	50	5		CGBARO
C[N+](C)(C)Cc1c(-c2ccccc2)nc2ccccn21	ZINC000012550590	280177783	/nfs/dbraw/zinc/17/77/83/280177783.db2.gz	HCYRNFRUBSFJLA-UHFFFAOYSA-N	1	0	266.368	3.208	50	5		CGBARO
OC[C@@H]1CCC[N@@+]2(C/C=C/c3ccccc3)CCCC[C@H]12	ZINC000253390383	527591602	/nfs/dbraw/zinc/59/16/02/527591602.db2.gz	DQDGHVIJYQKOOP-IBPVWVSISA-N	1	0	286.439	3.471	50	5	biogenic	CGBARO
O=[N+]([O-])c1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1	ZINC000019720797	368761484	/nfs/dbraw/zinc/76/14/84/368761484.db2.gz	DSHZTXMNGIJIKU-UHFFFAOYSA-N	1	0	295.342	3.408	50	5		CGBARO
O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3ccccc3C2)c1	ZINC000036396718	369020822	/nfs/dbraw/zinc/02/08/22/369020822.db2.gz	CXDWTUHSCXCYEL-UHFFFAOYSA-N	1	0	298.342	3.032	50	5		CGBARO
Cc1ccccc1[C@@H](c1ccccc1)[N+](C)(C)CCO	ZINC000015637024	619763141	/nfs/dbraw/zinc/76/31/41/619763141.db2.gz	BGFWERKPECHIAR-GOSISDBHSA-N	1	0	270.396	3.153	50	5		CGBARO
O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3ccccc3C2)cc1	ZINC000051112580	369446770	/nfs/dbraw/zinc/44/67/70/369446770.db2.gz	UESFUXWNEATOPE-UHFFFAOYSA-N	1	0	282.343	3.196	50	5		CGBARO
CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccncc1	ZINC000096012820	185065598	/nfs/dbraw/zinc/06/55/98/185065598.db2.gz	XOSHIGLOKJYIOE-AWEZNQCLSA-N	1	0	271.320	3.231	50	5		CGBARO
CC[NH+](CC)CCCCCOc1ccccc1[N+](=O)[O-]	ZINC000003106095	368491111	/nfs/dbraw/zinc/49/11/11/368491111.db2.gz	FJIFQIZDGSSUKR-UHFFFAOYSA-N	1	0	280.368	3.486	50	5		CGBARO
CC[C@H]([NH2+]Cc1ccccn1)c1cccc([N+](=O)[O-])c1	ZINC000037010471	369050131	/nfs/dbraw/zinc/05/01/31/369050131.db2.gz	ITOPSUWJJYOYLF-HNNXBMFYSA-N	1	0	271.320	3.231	50	5		CGBARO
C[C@@H](C[N+](C)(C)C)OC(=O)C1(c2ccccc2)CCCC1	ZINC000000186601	169568021	/nfs/dbraw/zinc/56/80/21/169568021.db2.gz	MTABZUJYGRMFFB-HNNXBMFYSA-N	1	0	290.427	3.136	50	5		CGBARO
C[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1	ZINC000004988352	170049706	/nfs/dbraw/zinc/04/97/06/170049706.db2.gz	JEORQQLXFZZLLJ-OQHXTRMZSA-N	1	0	260.337	3.340	50	5		CGBARO
O=[N+]([O-])c1cccc(CSC2=[NH+][C@@H]3CCCC[C@@H]3N2)c1	ZINC000009513722	170380052	/nfs/dbraw/zinc/38/00/52/170380052.db2.gz	YCSBHMUJRKKIKK-BETUJISGSA-N	1	0	291.376	3.098	50	5		CGBARO
C[n+]1ccccc1/C=C\c1cc([N+](=O)[O-])ccc1Cl	ZINC000035168591	172027213	/nfs/dbraw/zinc/02/72/13/172027213.db2.gz	FTVXLSLKTNUYLF-WAYWQWQTSA-N	1	0	275.715	3.243	50	5		CGBARO
CC1=C[C@H](C)[C@H]2CO[C@H](C3=CCC[N+](C)(C)C3)[C@@H]1[C@H]2C	ZINC000004064733	528145615	/nfs/dbraw/zinc/14/56/15/528145615.db2.gz	UTSXCLQQDIBOGU-FSXCVOIBSA-N	1	0	276.444	3.256	50	5	biogenic	CGBARO
CC(C)[NH+](CCNc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000019984577	368792109	/nfs/dbraw/zinc/79/21/09/368792109.db2.gz	JJLSMMORYMBMKX-UHFFFAOYSA-N	1	0	265.357	3.126	50	5		CGBARO
C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccnc1	ZINC000097113597	370227860	/nfs/dbraw/zinc/22/78/60/370227860.db2.gz	ANZUWAWDRMHZCU-VMPITWQZSA-N	1	0	283.331	3.135	50	5		CGBARO
Cc1ccc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)cc1[N+](=O)[O-]	ZINC000163875636	372496252	/nfs/dbraw/zinc/49/62/52/372496252.db2.gz	HPHMXOPHTDIMOF-NWDGAFQWSA-N	1	0	288.351	3.049	50	5		CGBARO
COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@@H]1C	ZINC000004856347	170031144	/nfs/dbraw/zinc/03/11/44/170031144.db2.gz	AZGRRMFLIVWBTP-SMDDNHRTSA-N	1	0	278.352	3.272	50	5		CGBARO
Cc1cc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-]	ZINC000004913346	170040667	/nfs/dbraw/zinc/04/06/67/170040667.db2.gz	WYOPNAZNNNWSQM-STQMWFEESA-N	1	0	292.379	3.260	50	5		CGBARO
CC(C)(C)[NH2+]CCCCOc1ccc([N+](=O)[O-])cc1	ZINC000002902710	344857998	/nfs/dbraw/zinc/85/79/98/344857998.db2.gz	YWZQQGXDZUMROW-UHFFFAOYSA-N	1	0	266.341	3.142	50	5		CGBARO
CCOC(=O)c1ccc([C@@H](C)[N+](C)(CC)CC)o1	ZINC000000507330	368381360	/nfs/dbraw/zinc/38/13/60/368381360.db2.gz	CBVJHPNQHKSMEF-LLVKDONJSA-N	1	0	254.350	3.004	50	5		CGBARO
C[NH+](C)[C@@H](CNc1ccccc1[N+](=O)[O-])c1ccsc1	ZINC000026720064	368863846	/nfs/dbraw/zinc/86/38/46/368863846.db2.gz	FTIZNOAXTTYPAG-AWEZNQCLSA-N	1	0	291.376	3.371	50	5		CGBARO
CC1=C[C@@H](C)C(=O)N(CC[C@@H]2CCCC[N+]2(C)C)C(C)=C1	ZINC000071787008	369812205	/nfs/dbraw/zinc/81/22/05/369812205.db2.gz	RVMDGLMQUOKCOT-WBVHZDCISA-N	1	0	291.459	3.334	50	5		CGBARO
C[N@H+]1C2=CCC[C@@H](CC[N+](C)(C)C)[C@H]1CCCC2	ZINC000216341616	376163104	/nfs/dbraw/zinc/16/31/04/376163104.db2.gz	OMBLMIDOBXNZNL-GOEBONIOSA-N	1	0	251.438	3.251	50	5		CGBARO
OC[C@@H]1CCC[N@+]2(C/C=C/c3ccccc3)CCCC[C@H]12	ZINC000253390387	377689324	/nfs/dbraw/zinc/68/93/24/377689324.db2.gz	DQDGHVIJYQKOOP-RYKYZJFKSA-N	1	0	286.439	3.471	50	5	biogenic	CGBARO
Cc1ccc([N+](=O)[O-])c(OCCC[NH+]2CCC(C)CC2)c1	ZINC000004869264	170034032	/nfs/dbraw/zinc/03/40/32/170034032.db2.gz	ITCUMUOAKAECKC-UHFFFAOYSA-N	1	0	292.379	3.404	50	5		CGBARO
CC(C)OC1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000095434263	370192864	/nfs/dbraw/zinc/19/28/64/370192864.db2.gz	PXWKDOGORUKBIC-UHFFFAOYSA-N	1	0	292.379	3.421	50	5		CGBARO
C[N@@+]1(Cc2ccccc2)CCC[C@H]1c1ccc(N)nc1	ZINC000245380051	376802841	/nfs/dbraw/zinc/80/28/41/376802841.db2.gz	PUHXBHUWCKYEFK-JXFKEZNVSA-N	1	0	268.384	3.146	50	5	biogenic,in-vitro	CGBARO
C[N+](C)([O-])c1ccc(N[N+](=O)c2ccccc2)cc1	ZINC000409415861	380029818	/nfs/dbraw/zinc/02/98/18/380029818.db2.gz	QJIKMQOZZBHDLL-UHFFFAOYSA-N	1	0	258.301	3.189	50	5		CGBARO
CC(C)[N+](C)(C)C[C@H](O)COc1ccc2ccccc2c1	ZINC000000307847	169603880	/nfs/dbraw/zinc/60/38/80/169603880.db2.gz	CJHVSQGLLNAXIL-KRWDZBQOSA-N	1	0	288.411	3.064	50	5		CGBARO
CC[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1	ZINC000042095252	174637022	/nfs/dbraw/zinc/63/70/22/174637022.db2.gz	SXYURFQIZDXDHN-GFCCVEGCSA-N	1	0	288.351	3.024	50	5		CGBARO
C[N+]1(C)CCc2cc3c(c4c2[C@@H]1Cc1ccccc1-4)OCO3	ZINC000000338172	368343460	/nfs/dbraw/zinc/34/34/60/368343460.db2.gz	NXTWYDPQNKVDLP-HNNXBMFYSA-N	1	0	294.374	3.312	50	5		CGBARO
CC1=C[C@H](C)[C@H]2CO[C@H](C3=CCC[N+](C)(C)C3)[C@@H]1[C@@H]2C	ZINC000000491250	368379008	/nfs/dbraw/zinc/37/90/08/368379008.db2.gz	UTSXCLQQDIBOGU-QCGAJHQOSA-N	1	0	276.444	3.256	50	5	biogenic	CGBARO
C[NH+](C)[C@H](CNc1ccccc1[N+](=O)[O-])c1ccsc1	ZINC000026720069	368864149	/nfs/dbraw/zinc/86/41/49/368864149.db2.gz	FTIZNOAXTTYPAG-CQSZACIVSA-N	1	0	291.376	3.371	50	5		CGBARO
O=[N+]([O-])c1cc(Cl)ccc1OCC[C@@H]1CCC[NH2+]C1	ZINC000042771349	369231013	/nfs/dbraw/zinc/23/10/13/369231013.db2.gz	VBYRTWASJNITIR-JTQLQIEISA-N	1	0	284.743	3.017	50	5		CGBARO
Cc1cc2c(C)c3cc(C)c(N)cc3[nH+]c2cc1N	ZINC000004824703	170024697	/nfs/dbraw/zinc/02/46/97/170024697.db2.gz	DZOAERSZTDNTCO-UHFFFAOYSA-N	1	0	251.333	3.478	50	5		CGBARO
[NH3+]Cc1cccc(Oc2cc(Cl)ccc2[N+](=O)[O-])c1	ZINC000034003485	171829393	/nfs/dbraw/zinc/82/93/93/171829393.db2.gz	KXSVIUQKPYUOGG-UHFFFAOYSA-N	1	0	278.695	3.499	50	5		CGBARO
C[N+]1(CCO)Cc2sc3ccc(Cl)cc3c2C1	ZINC000000339162	280177797	/nfs/dbraw/zinc/17/77/97/280177797.db2.gz	MCCRVVXXYSKXAG-UHFFFAOYSA-N	1	0	268.789	3.007	50	5		CGBARO
O=[N+]([O-])c1ccc2[nH]cc(C[NH+]3CCCCCC3)c2c1	ZINC000001852950	344856503	/nfs/dbraw/zinc/85/65/03/344856503.db2.gz	ABHQIYOUVFNBEC-UHFFFAOYSA-N	1	0	273.336	3.452	50	5		CGBARO
Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12	ZINC000035024431	283276368	/nfs/dbraw/zinc/27/63/68/283276368.db2.gz	QSFBNJFFCSWAQO-UHFFFAOYSA-N	1	0	261.284	3.147	50	5		CGBARO
Cc1cc(O[C@H](C)CC[N+](C)(C)C)nc2ccccc12	ZINC000000525394	368384249	/nfs/dbraw/zinc/38/42/49/368384249.db2.gz	HYFWJKSNPVOLIL-CQSZACIVSA-N	1	0	273.400	3.407	50	5		CGBARO
C[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000004989157	391923365	/nfs/dbraw/zinc/92/33/65/391923365.db2.gz	WDUFHALGCCZXFY-PPGNKHEKSA-N	1	0	260.337	3.482	50	5		CGBARO
CC[NH+](CC)CCSCc1cccc([N+](=O)[O-])c1	ZINC000072300657	176365030	/nfs/dbraw/zinc/36/50/30/176365030.db2.gz	LXNBUJBPBZDQHO-UHFFFAOYSA-N	1	0	268.382	3.170	50	5		CGBARO
C[NH2+]CCCOc1cccc2c(=O)c3ccccc3sc12	ZINC000033905846	344937177	/nfs/dbraw/zinc/93/71/77/344937177.db2.gz	HUMGXVYPFQHHLZ-UHFFFAOYSA-N	1	0	299.395	3.403	50	5		CGBARO
O=[N+]([O-])c1ccc(C[n+]2ccc3ccccc3c2)cc1	ZINC000001500760	368416081	/nfs/dbraw/zinc/41/60/81/368416081.db2.gz	HXKXCZABZBBREF-UHFFFAOYSA-N	1	0	265.292	3.084	50	5		CGBARO
Cc1ccc([N+](=O)[O-])c2c1[C@@H]([NH+]1CCCC1)C(C)(C)O2	ZINC000004105245	368531395	/nfs/dbraw/zinc/53/13/95/368531395.db2.gz	NARJZUVUBYEUKW-CQSZACIVSA-N	1	0	276.336	3.211	50	5		CGBARO
C[N+](C)(C)CCCCOC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000004310043	368541815	/nfs/dbraw/zinc/54/18/15/368541815.db2.gz	RYXOBJSKHRVGMH-UHFFFAOYSA-N	1	0	294.459	3.232	50	5		CGBARO
O=[N+]([O-])c1ccccc1C[NH2+]CCc1ccc(F)cc1	ZINC000019720728	368761801	/nfs/dbraw/zinc/76/18/01/368761801.db2.gz	HNVPRVIQHQQGAK-UHFFFAOYSA-N	1	0	274.295	3.066	50	5		CGBARO
Cc1c2ccccc2oc1C(=O)O[C@@H](C)CC[N+](C)(C)C	ZINC000001755799	368437849	/nfs/dbraw/zinc/43/78/49/368437849.db2.gz	RWZOXMFVUMITHO-LBPRGKRZSA-N	1	0	290.383	3.383	50	5		CGBARO
C[N+](C)(C)Cc1c(-c2ccccc2)nc2sccn12	ZINC000013138227	368645461	/nfs/dbraw/zinc/64/54/61/368645461.db2.gz	VKXMDBNBTPJZBW-UHFFFAOYSA-N	1	0	272.397	3.269	50	5		CGBARO
O=[N+]([O-])c1ccccc1C[NH2+]CCc1cccc(F)c1	ZINC000019720934	368762035	/nfs/dbraw/zinc/76/20/35/368762035.db2.gz	RHSGGAHKCSKFDT-UHFFFAOYSA-N	1	0	274.295	3.066	50	5		CGBARO
CC1=C[C@@H](C)C(=O)N(CC[C@H]2CCCC[N+]2(C)C)C(C)=C1	ZINC000071787010	369811553	/nfs/dbraw/zinc/81/15/53/369811553.db2.gz	RVMDGLMQUOKCOT-NVXWUHKLSA-N	1	0	291.459	3.334	50	5		CGBARO
O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)c1	ZINC000195529116	376109982	/nfs/dbraw/zinc/10/99/82/376109982.db2.gz	QZEQERWRTZTGNG-KGLIPLIRSA-N	1	0	295.770	3.287	50	5		CGBARO
CC(C)C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1	ZINC000026625271	391950783	/nfs/dbraw/zinc/95/07/83/391950783.db2.gz	FWAZTXKBTNPEEH-UHFFFAOYSA-N	1	0	288.351	3.022	50	5		CGBARO
C[N@+]1(CCO)Cc2sc3ccc(Cl)cc3c2C1	ZINC000248033825	280177942	/nfs/dbraw/zinc/17/79/42/280177942.db2.gz	MCCRVVXXYSKXAG-OAHLLOKOSA-N	1	0	268.789	3.007	50	5		CGBARO
CC1=N[N+](C)=C(/C=C/c2cccc([N+](=O)[O-])c2)C1(C)C	ZINC000005306680	330490502	/nfs/dbraw/zinc/49/05/02/330490502.db2.gz	AMDTXGYMRBUVPT-CMDGGOBGSA-N	1	0	272.328	3.107	50	5		CGBARO
C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000084439768	566882007	/nfs/dbraw/zinc/88/20/07/566882007.db2.gz	LTFPNPNORKKXMR-QMMMGPOBSA-N	1	0	254.717	3.136	50	5		CGBARO
Cc1[nH+]c2cc(NCc3ccccc3[N+](=O)[O-])ccc2n1C	ZINC000000239187	640920118	/nfs/dbraw/zinc/92/01/18/640920118.db2.gz	MLNLDHUVGFDQAQ-UHFFFAOYSA-N	1	0	296.330	3.402	50	5		CGBARO
C[N+](C)(C)C/C=C/C(O)(c1ccccc1)c1ccccc1	ZINC000000504032	230366263	/nfs/dbraw/zinc/36/62/63/230366263.db2.gz	ZWZZJARDWMCYOZ-XNTDXEJSSA-N	1	0	282.407	3.185	50	5		CGBARO
COC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000096007789	185064242	/nfs/dbraw/zinc/06/42/42/185064242.db2.gz	NTQROFIZTWSIQJ-LLVKDONJSA-N	1	0	298.770	3.107	50	5		CGBARO
C[n+]1c2ccccc2n2c1c1cccc3cccc(c2=O)c31	ZINC000001510639	368416055	/nfs/dbraw/zinc/41/60/55/368416055.db2.gz	YEKTWYUPEWBGKZ-UHFFFAOYSA-N	1	0	285.326	3.021	50	5		CGBARO
O=[N+]([O-])c1ccc2[nH]cc(C[NH+]3CCCCC3)c2c1	ZINC000002026808	368444825	/nfs/dbraw/zinc/44/48/25/368444825.db2.gz	OUZMDCXVRKYIHS-UHFFFAOYSA-N	1	0	259.309	3.062	50	5		CGBARO
C[N+](C)=c1ccc2nc3ccc(N)cc3sc-2c1	ZINC000003861457	368521386	/nfs/dbraw/zinc/52/13/86/368521386.db2.gz	FXONXBFTEMLSRZ-UHFFFAOYSA-N	1	0	256.354	3.379	50	5	in-vitro	CGBARO
CC[NH+](CC)CCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000004575513	368551600	/nfs/dbraw/zinc/55/16/00/368551600.db2.gz	ZKDAMXHDPIIVAJ-UHFFFAOYSA-N	1	0	271.748	3.002	50	5		CGBARO
Cc1c([C@@H](C)[NH2+]CCc2ccccn2)cccc1[N+](=O)[O-]	ZINC000095419144	370187207	/nfs/dbraw/zinc/18/72/07/370187207.db2.gz	TYZDEHPHJVHFFK-CYBMUJFWSA-N	1	0	285.347	3.192	50	5		CGBARO
CCCC[NH2+]CCCCOc1ccc([N+](=O)[O-])cc1	ZINC000002898397	169843057	/nfs/dbraw/zinc/84/30/57/169843057.db2.gz	WDXMNIYKXAYNQS-UHFFFAOYSA-N	1	0	266.341	3.144	50	5		CGBARO
CC1CC[NH+](CCCCOc2ccc([N+](=O)[O-])cc2)CC1	ZINC000002957554	169845838	/nfs/dbraw/zinc/84/58/38/169845838.db2.gz	KLIDTYATYPHMNC-UHFFFAOYSA-N	1	0	292.379	3.486	50	5		CGBARO
O=[N+]([O-])c1ccc(OCC[C@H]2CCC[NH2+]C2)c(Cl)c1	ZINC000042774231	174873232	/nfs/dbraw/zinc/87/32/32/174873232.db2.gz	XCTQWLFORJWVPJ-SNVBAGLBSA-N	1	0	284.743	3.017	50	5		CGBARO
O=[N+]([O-])c1ccc(C[n+]2cccc3ccccc32)cc1	ZINC000003167862	368495507	/nfs/dbraw/zinc/49/55/07/368495507.db2.gz	LAPZJZNMHMLIPU-UHFFFAOYSA-N	1	0	265.292	3.084	50	5		CGBARO
CCCC[n+]1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1	ZINC000013545822	368655888	/nfs/dbraw/zinc/65/58/88/368655888.db2.gz	QXYLNEOZDMNTIJ-UHFFFAOYSA-O	1	0	297.338	3.226	50	5		CGBARO
Cc1cc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-]	ZINC000004913344	170040501	/nfs/dbraw/zinc/04/05/01/170040501.db2.gz	WYOPNAZNNNWSQM-BETUJISGSA-N	1	0	292.379	3.260	50	5		CGBARO
C[N+](C)(CCOc1ccccc1)Cc1ccccc1	ZINC000000001023	368269539	/nfs/dbraw/zinc/26/95/39/368269539.db2.gz	AVWWVJUMXRXPNF-UHFFFAOYSA-N	1	0	256.369	3.342	50	5	in-man	CGBARO
CC[N+](CC)=c1scc(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000000265644	368328105	/nfs/dbraw/zinc/32/81/05/368328105.db2.gz	WTBNJLPUPKWACP-UHFFFAOYSA-N	1	0	295.409	3.197	50	5		CGBARO
CC1=C[C@H](C)C(=O)N(CC[C@@H]2CCCC[N+]2(C)C)C(C)=C1	ZINC000071787009	369811633	/nfs/dbraw/zinc/81/16/33/369811633.db2.gz	RVMDGLMQUOKCOT-RDJZCZTQSA-N	1	0	291.459	3.334	50	5		CGBARO
O=[N+]([O-])c1ccc(OCCCC[NH+]2CCCCC2)cc1	ZINC000002494205	169795203	/nfs/dbraw/zinc/79/52/03/169795203.db2.gz	IHLXQLQHIBFBOT-UHFFFAOYSA-N	1	0	278.352	3.240	50	5		CGBARO
COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C	ZINC000095940914	185035915	/nfs/dbraw/zinc/03/59/15/185035915.db2.gz	OZLIRNDSMFSLBV-LBPRGKRZSA-N	1	0	286.759	3.009	50	5		CGBARO
C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)c1cccs1)CCC2	ZINC000252441433	377622513	/nfs/dbraw/zinc/62/25/13/377622513.db2.gz	VFBGOHJRQMLKDQ-VBQJREDUSA-N	1	0	294.440	3.314	50	5	biogenic	CGBARO
O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1	ZINC000125457070	187185764	/nfs/dbraw/zinc/18/57/64/187185764.db2.gz	OEMIQBNDBJLKLZ-MRXNPFEDSA-N	1	0	283.331	3.327	50	5		CGBARO
Cc1noc(C)c1[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000095434248	370192487	/nfs/dbraw/zinc/19/24/87/370192487.db2.gz	SAKFOHQOERFJRA-SNVBAGLBSA-N	1	0	289.335	3.093	50	5		CGBARO
CC(=O)N(CCC[N+](C)(C)C)C[C@@H]1[C@H](C)C=C(C)C[C@@H]1C	ZINC000229473717	623136562	/nfs/dbraw/zinc/13/65/62/623136562.db2.gz	FCGZADSCSSGARV-SOLBZPMBSA-N	1	0	295.491	3.170	50	5		CGBARO
CC(C)[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCOCC1	ZINC000075145377	369896854	/nfs/dbraw/zinc/89/68/54/369896854.db2.gz	IIOMABMUURZPGG-UHFFFAOYSA-N	1	0	284.381	3.046	50	5		CGBARO
CC[C@H](C)[NH2+]CCCCOc1ccc(C)cc1[N+](=O)[O-]	ZINC000002824171	333056899	/nfs/dbraw/zinc/05/68/99/333056899.db2.gz	PNUQQKRCIUXUOC-ZDUSSCGKSA-N	1	0	280.368	3.450	50	5		CGBARO
Cc1nc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1	ZINC000096476421	230379843	/nfs/dbraw/zinc/37/98/43/230379843.db2.gz	NMEAJDNBIUVLOR-JTQLQIEISA-N	1	0	291.376	3.253	50	5		CGBARO
c1ccc2cc3c(cc2c1)[nH+]ccc3N1CCOCC1	ZINC000000223866	136391590	/nfs/dbraw/zinc/39/15/90/136391590.db2.gz	KOMDEAJYHIVDJD-UHFFFAOYSA-N	1	0	264.328	3.225	50	5		CGBARO
CC(=O)O[C@@H](C[N+]1(C)CCCCCC1)c1ccccc1	ZINC000000185815	368312092	/nfs/dbraw/zinc/31/20/92/368312092.db2.gz	TWZTWUWHHWIWNW-KRWDZBQOSA-N	1	0	276.400	3.311	50	5		CGBARO
O=[N+]([O-])c1cc(Cl)ccc1OCC[C@H]1CCC[NH2+]C1	ZINC000042771352	369231436	/nfs/dbraw/zinc/23/14/36/369231436.db2.gz	VBYRTWASJNITIR-SNVBAGLBSA-N	1	0	284.743	3.017	50	5		CGBARO
C[n+]1ccccc1/C=C/c1cc([N+](=O)[O-])ccc1Cl	ZINC000005211969	170076490	/nfs/dbraw/zinc/07/64/90/170076490.db2.gz	FTVXLSLKTNUYLF-AATRIKPKSA-N	1	0	275.715	3.243	50	5		CGBARO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2ccco2)c(Cl)c1	ZINC000007519485	170287929	/nfs/dbraw/zinc/28/79/29/170287929.db2.gz	XATXKAFFXKWTPP-UHFFFAOYSA-N	1	0	295.726	3.043	50	5		CGBARO
C[C@H](Cc1ccsc1)[NH2+]Cc1csc([N+](=O)[O-])c1	ZINC000049157240	416467612	/nfs/dbraw/zinc/46/76/12/416467612.db2.gz	RADSMJJXYWCMMY-SECBINFHSA-N	1	0	282.390	3.439	50	5		CGBARO
Cc1ccc2c(c1)c1nc3ccccc3nc1n2CC[NH3+]	ZINC000004744652	274781178	/nfs/dbraw/zinc/78/11/78/274781178.db2.gz	DWGLFUARQBSJRE-UHFFFAOYSA-N	1	0	276.343	3.005	50	5		CGBARO
Cc1cc(N[C@@H](C)CCCO)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000096008510	185063867	/nfs/dbraw/zinc/06/38/67/185063867.db2.gz	ZFPKRQMIFJXEEX-JTQLQIEISA-N	1	0	289.335	3.024	50	5		CGBARO
C[N+]1(CCOc2ccccc2)Cc2ccccc2C1	ZINC000003635064	368516745	/nfs/dbraw/zinc/51/67/45/368516745.db2.gz	DFCCTDFQBJAOHM-UHFFFAOYSA-N	1	0	254.353	3.226	50	5		CGBARO
O=[N+]([O-])c1ccccc1NCC[N@@H+]1CCc2ccccc2C1	ZINC000032779300	368945235	/nfs/dbraw/zinc/94/52/35/368945235.db2.gz	IRFXQMNWVVEUOL-UHFFFAOYSA-N	1	0	297.358	3.065	50	5		CGBARO
O=[N+]([O-])c1cc(Cl)ccc1OCCC1CC[NH2+]CC1	ZINC000042771345	369230648	/nfs/dbraw/zinc/23/06/48/369230648.db2.gz	GRKUKKZKUHZAPD-UHFFFAOYSA-N	1	0	284.743	3.017	50	5		CGBARO
Cc1cc(NCc2cccnc2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000097083746	370223265	/nfs/dbraw/zinc/22/32/65/370223265.db2.gz	TXJYMLOMSLMJBX-UHFFFAOYSA-N	1	0	294.314	3.459	50	5		CGBARO
CC1CC[NH+](CCCOc2cccc([N+](=O)[O-])c2)CC1	ZINC000004870051	170034888	/nfs/dbraw/zinc/03/48/88/170034888.db2.gz	NVKOTKWYIRMINB-UHFFFAOYSA-N	1	0	278.352	3.096	50	5		CGBARO
C[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000002822367	368480168	/nfs/dbraw/zinc/48/01/68/368480168.db2.gz	CTUPSSVYEBTCNI-CYBMUJFWSA-N	1	0	278.352	3.096	50	5		CGBARO
O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000011691812	368594525	/nfs/dbraw/zinc/59/45/25/368594525.db2.gz	YYSXXRSTZDEWBW-UHFFFAOYSA-N	1	0	289.379	3.050	50	5		CGBARO
O=[N+]([O-])c1ccccc1C[NH2+]CCc1c[nH]c2ccccc12	ZINC000019349544	368748888	/nfs/dbraw/zinc/74/88/88/368748888.db2.gz	ZIEAAKFMVJDXHQ-UHFFFAOYSA-N	1	0	295.342	3.408	50	5		CGBARO
C[N@H+](Cc1csc([N+](=O)[O-])c1)C1Cc2ccccc2C1	ZINC000069418287	369758870	/nfs/dbraw/zinc/75/88/70/369758870.db2.gz	SCHUIXCOSKDYSG-UHFFFAOYSA-N	1	0	288.372	3.256	50	5		CGBARO
C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cccnc1	ZINC000221816851	376222048	/nfs/dbraw/zinc/22/20/48/376222048.db2.gz	ANZUWAWDRMHZCU-YVMONPNESA-N	1	0	283.331	3.135	50	5		CGBARO
C[N+](C)(C)CCOc1ccccc1Cc1ccccc1	ZINC000000410248	169633718	/nfs/dbraw/zinc/63/37/18/169633718.db2.gz	FAJJPKPHEBAPSU-UHFFFAOYSA-N	1	0	270.396	3.362	50	5		CGBARO
Cc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1F	ZINC000070160148	165058564	/nfs/dbraw/zinc/05/85/64/165058564.db2.gz	VHNZEJCAQQDFTF-UHFFFAOYSA-N	1	0	274.295	3.332	50	5		CGBARO
Cc1ccc(OCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000004906719	170039498	/nfs/dbraw/zinc/03/94/98/170039498.db2.gz	CJTKZIKEOLMTQQ-ZDUSSCGKSA-N	1	0	278.352	3.014	50	5		CGBARO
[NH3+]Cc1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1	ZINC000095704699	185018013	/nfs/dbraw/zinc/01/80/13/185018013.db2.gz	ZPSUTQKXFKEJEO-UHFFFAOYSA-N	1	0	278.695	3.499	50	5		CGBARO
Cc1cccnc1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-]	ZINC000154665310	371866031	/nfs/dbraw/zinc/86/60/31/371866031.db2.gz	QSDHKKGDBDCQSV-CQSZACIVSA-N	1	0	299.374	3.409	50	5		CGBARO
C[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1	ZINC000004988356	170049627	/nfs/dbraw/zinc/04/96/27/170049627.db2.gz	JEORQQLXFZZLLJ-LJLILKBBSA-N	1	0	260.337	3.340	50	5		CGBARO
CC[C@@H](C)[NH2+]CCCCOc1ccc(C)cc1[N+](=O)[O-]	ZINC000002824170	333056813	/nfs/dbraw/zinc/05/68/13/333056813.db2.gz	PNUQQKRCIUXUOC-CYBMUJFWSA-N	1	0	280.368	3.450	50	5		CGBARO
O=[N+]([O-])c1ccc(C[NH+]2CCCCCCC2)s1	ZINC000000206971	617608150	/nfs/dbraw/zinc/60/81/50/617608150.db2.gz	OAYRIRJUQBJLKG-UHFFFAOYSA-N	1	0	254.355	3.422	50	5		CGBARO
Clc1ccc2cc3c(cc2c1)C[N+]1(C3)CCOCC1	ZINC000000332654	368342175	/nfs/dbraw/zinc/34/21/75/368342175.db2.gz	BYVYIGPAJJIOAF-UHFFFAOYSA-N	1	0	274.771	3.354	50	5		CGBARO
Cc1ccc([N+](=O)[O-])c(OCC[NH+]2CCC(C)CC2)c1	ZINC000004841864	170028454	/nfs/dbraw/zinc/02/84/54/170028454.db2.gz	GRFBGFKZTIJNMI-UHFFFAOYSA-N	1	0	278.352	3.014	50	5		CGBARO
O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)c1	ZINC000195529117	376110139	/nfs/dbraw/zinc/11/01/39/376110139.db2.gz	QZEQERWRTZTGNG-KBPBESRZSA-N	1	0	295.770	3.287	50	5		CGBARO
O=[N+]([O-])c1ccc2c(c1)CC[N@@H+](Cc1ccccc1)C2	ZINC000072265959	275037653	/nfs/dbraw/zinc/03/76/53/275037653.db2.gz	ZKVVNEZVGMWFCN-UHFFFAOYSA-N	1	0	268.316	3.153	50	5		CGBARO
O=[N+]([O-])c1cccc(/C=C\c2ncc3ccccn23)c1	ZINC000034806492	638873320	/nfs/dbraw/zinc/87/33/20/638873320.db2.gz	VTSLMDLWDORMQH-FPLPWBNLSA-N	1	0	265.272	3.413	50	5		CGBARO
C[C@@H]([C@H](O)c1ccccc1)[N+](C)(C)Cc1ccccc1	ZINC000000163980	368306062	/nfs/dbraw/zinc/30/60/62/368306062.db2.gz	GEBWLJOOGXIBCH-YJBOKZPZSA-N	1	0	270.396	3.385	50	5		CGBARO
CC[N+](C)(CC)C[C@H](O)COc1ccc2ccccc2c1	ZINC000000285870	368333374	/nfs/dbraw/zinc/33/33/74/368333374.db2.gz	NFHSQGOUDHZZTR-KRWDZBQOSA-N	1	0	288.411	3.066	50	5		CGBARO
CC[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1	ZINC000042095254	369199745	/nfs/dbraw/zinc/19/97/45/369199745.db2.gz	SXYURFQIZDXDHN-LBPRGKRZSA-N	1	0	288.351	3.024	50	5		CGBARO
O=[N+]([O-])c1ccc(OCC[C@H]2CCCC[NH2+]2)c(Cl)c1	ZINC000042774239	369232270	/nfs/dbraw/zinc/23/22/70/369232270.db2.gz	YVXGGQZGEAHKMV-SNVBAGLBSA-N	1	0	284.743	3.159	50	5		CGBARO
C[N+]1(C)CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3	ZINC000000338173	169610656	/nfs/dbraw/zinc/61/06/56/169610656.db2.gz	NXTWYDPQNKVDLP-OAHLLOKOSA-N	1	0	294.374	3.312	50	5	biogenic	CGBARO
Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1N	ZINC000004366415	391920606	/nfs/dbraw/zinc/92/06/06/391920606.db2.gz	NQRLWRODNCDUHY-UHFFFAOYSA-N	1	0	251.333	3.345	50	5		CGBARO
CCCCCOc1ccc(CSC(N)=[NH2+])cc1[N+](=O)[O-]	ZINC000004871761	170034865	/nfs/dbraw/zinc/03/48/65/170034865.db2.gz	ZJCAADTWXGBVBW-UHFFFAOYSA-N	1	0	297.380	3.290	50	5		CGBARO
CC[C@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])c(C)c1	ZINC000002823774	368479323	/nfs/dbraw/zinc/47/93/23/368479323.db2.gz	BTHQTNRCWDZKEQ-LBPRGKRZSA-N	1	0	266.341	3.060	50	5		CGBARO
CC1=CCC2(CC1)COC(C(C)(C)C[N+](C)(C)C)OC2	ZINC000000354048	169615681	/nfs/dbraw/zinc/61/56/81/169615681.db2.gz	ZDBJIADJVSZKKA-UHFFFAOYSA-N	1	0	282.448	3.208	50	5		CGBARO
O=[N+]([O-])c1ccc(OCCC2CC[NH2+]CC2)c(Cl)c1	ZINC000042774223	174873010	/nfs/dbraw/zinc/87/30/10/174873010.db2.gz	WHDYJQIYFTUKSY-UHFFFAOYSA-N	1	0	284.743	3.017	50	5		CGBARO
CC1=C[C@H](C)C(=O)N(CC[C@H]2CCCC[N+]2(C)C)C(C)=C1	ZINC000071787011	369812010	/nfs/dbraw/zinc/81/20/10/369812010.db2.gz	RVMDGLMQUOKCOT-DOTOQJQBSA-N	1	0	291.459	3.334	50	5		CGBARO
C[N@+]12CCCC[C@@H]1[C@H](COC(=O)c1ccccc1)CCC2	ZINC000252441093	377621877	/nfs/dbraw/zinc/62/18/77/377621877.db2.gz	FWQJGKVXIDRPGT-YQVWRLOYSA-N	1	0	288.411	3.253	50	5	biogenic	CGBARO
CCC[N+](C)(C)[C@@H](C)[C@H](OC(C)=O)c1ccccc1	ZINC000005252401	391923156	/nfs/dbraw/zinc/92/31/56/391923156.db2.gz	DEAFFDUUUHQLEP-BBRMVZONSA-N	1	0	264.389	3.166	50	5		CGBARO
Cc1cc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-]	ZINC000004913347	170040294	/nfs/dbraw/zinc/04/02/94/170040294.db2.gz	WYOPNAZNNNWSQM-CHWSQXEVSA-N	1	0	292.379	3.260	50	5		CGBARO
Cc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1	ZINC000020054851	274742394	/nfs/dbraw/zinc/74/23/94/274742394.db2.gz	CMPVWJCDGNTGQK-UHFFFAOYSA-N	1	0	256.305	3.193	50	5		CGBARO
O=[N+]([O-])c1ccccc1C[N@H+](CCc1ccncc1)C1CC1	ZINC000095432401	275039785	/nfs/dbraw/zinc/03/97/85/275039785.db2.gz	ZTADBIGLDLRBJC-UHFFFAOYSA-N	1	0	297.358	3.197	50	5		CGBARO
C[N@@+]1(CCO)Cc2sc3ccc(Cl)cc3c2C1	ZINC000248033824	280178074	/nfs/dbraw/zinc/17/80/74/280178074.db2.gz	MCCRVVXXYSKXAG-HNNXBMFYSA-N	1	0	268.789	3.007	50	5		CGBARO
Cc1nc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cs1	ZINC000096476423	230379737	/nfs/dbraw/zinc/37/97/37/230379737.db2.gz	NMEAJDNBIUVLOR-SNVBAGLBSA-N	1	0	291.376	3.253	50	5		CGBARO
Cc1cccc([N+](=O)[O-])c1NC1CC[NH+](CC(C)C)CC1	ZINC000095963725	185044995	/nfs/dbraw/zinc/04/49/95/185044995.db2.gz	MRLXBCLJVKGLRH-UHFFFAOYSA-N	1	0	291.395	3.436	50	5		CGBARO
C[N+]1(C)CCC[C@@H](C(O)(c2ccccc2)c2ccccc2)C1	ZINC000001250192	368404448	/nfs/dbraw/zinc/40/44/48/368404448.db2.gz	VPANIVFJGZPDNU-LJQANCHMSA-N	1	0	296.434	3.409	50	5		CGBARO
CC[C@@H]([NH2+]Cc1ccccn1)c1cccc([N+](=O)[O-])c1	ZINC000037010472	369049643	/nfs/dbraw/zinc/04/96/43/369049643.db2.gz	ITOPSUWJJYOYLF-OAHLLOKOSA-N	1	0	271.320	3.231	50	5		CGBARO
CC(C)(C)OC(=O)n1cc(C[N+](C)(C)C)c2cccnc21	ZINC000057990052	369551269	/nfs/dbraw/zinc/55/12/69/369551269.db2.gz	KMUGGRUUANMQDB-UHFFFAOYSA-N	1	0	290.387	3.026	50	5		CGBARO
CC[N+](C)(CC)C[C@@H](O)COc1ccc2ccccc2c1	ZINC000004714723	170004427	/nfs/dbraw/zinc/00/44/27/170004427.db2.gz	NFHSQGOUDHZZTR-QGZVFWFLSA-N	1	0	288.411	3.066	50	5		CGBARO
Cc1cc(OCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-]	ZINC000004845236	170029474	/nfs/dbraw/zinc/02/94/74/170029474.db2.gz	SGBPXTUKQRBJRD-UHFFFAOYSA-N	1	0	278.352	3.014	50	5		CGBARO
O=[N+]([O-])c1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1	ZINC000019798219	280369474	/nfs/dbraw/zinc/36/94/74/280369474.db2.gz	GTZHXBQPFWAUOT-MRXNPFEDSA-N	1	0	293.326	3.311	50	5	biogenic	CGBARO
CC1=C[C@H](C)[C@H]2CO[C@@H](C3=CCC[N+](C)(C)C3)[C@@H]1[C@H]2C	ZINC000004064735	528146304	/nfs/dbraw/zinc/14/63/04/528146304.db2.gz	UTSXCLQQDIBOGU-QZOZAFJCSA-N	1	0	276.444	3.256	50	5	biogenic	CGBARO
Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)cc1[N+](=O)[O-]	ZINC000163875543	372497206	/nfs/dbraw/zinc/49/72/06/372497206.db2.gz	HPHMXOPHTDIMOF-VXGBXAGGSA-N	1	0	288.351	3.049	50	5		CGBARO
C[C@H](c1ccccc1)[C@@H]1OC[C@@H](C[N+]2(C)CCCCC2)O1	ZINC000003638826	169905143	/nfs/dbraw/zinc/90/51/43/169905143.db2.gz	JGEAUUUFVBZFSN-KBAYOESNSA-N	1	0	290.427	3.162	50	5		CGBARO
CC[N+](C)(C)C[C@@H]1CCCC[C@@]1(O)c1cccc(OC)c1	ZINC000000488906	368378978	/nfs/dbraw/zinc/37/89/78/368378978.db2.gz	RJAROMXLRSTRGU-FUHWJXTLSA-N	1	0	292.443	3.169	50	5		CGBARO
CC[N+](C)(CC)CCOC(=O)c1oc2ccccc2c1C	ZINC000001813691	368438595	/nfs/dbraw/zinc/43/85/95/368438595.db2.gz	SSVAEJVMNPTETM-UHFFFAOYSA-N	1	0	290.383	3.384	50	5		CGBARO
C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000084439770	370013124	/nfs/dbraw/zinc/01/31/24/370013124.db2.gz	LTFPNPNORKKXMR-MRVPVSSYSA-N	1	0	254.717	3.136	50	5		CGBARO
O=[N+]([O-])c1ccccc1OCCCC[NH+]1CCCCC1	ZINC000002885673	285164314	/nfs/dbraw/zinc/16/43/14/285164314.db2.gz	KKZDJIUNVRLCQL-UHFFFAOYSA-N	1	0	278.352	3.240	50	5		CGBARO
Cc1cc(OCCCC[NH+]2CCCC2)ccc1[N+](=O)[O-]	ZINC000003003640	169849422	/nfs/dbraw/zinc/84/94/22/169849422.db2.gz	GQBOWBAYHYWPQE-UHFFFAOYSA-N	1	0	278.352	3.158	50	5		CGBARO
O=[N+]([O-])c1cccc(OCCCC[NH+]2CCCCC2)c1	ZINC000004842426	170028329	/nfs/dbraw/zinc/02/83/29/170028329.db2.gz	RBDZRHDJQXNNCU-UHFFFAOYSA-N	1	0	278.352	3.240	50	5		CGBARO
O=[N+]([O-])c1ccccc1OCCCCC[NH+]1CCCC1	ZINC000004949932	170044293	/nfs/dbraw/zinc/04/42/93/170044293.db2.gz	WIYGFHJNYKJPLX-UHFFFAOYSA-N	1	0	278.352	3.240	50	5		CGBARO
COCCC[NH2+]Cc1cc(=O)oc2ccc3ccccc3c12	ZINC000009460246	170377543	/nfs/dbraw/zinc/37/75/43/170377543.db2.gz	RWNOPJKCOMPDQR-UHFFFAOYSA-N	1	0	297.354	3.072	50	5		CGBARO
O=[N+]([O-])c1cccc(CSC2=[NH+][C@H]3CCCC[C@@H]3N2)c1	ZINC000009513723	170380045	/nfs/dbraw/zinc/38/00/45/170380045.db2.gz	YCSBHMUJRKKIKK-STQMWFEESA-N	1	0	291.376	3.098	50	5		CGBARO
CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000072302150	176365000	/nfs/dbraw/zinc/36/50/00/176365000.db2.gz	PWOWBJCJJBIUEN-LLVKDONJSA-N	1	0	297.786	3.026	50	5		CGBARO
O=[N+]([O-])c1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1	ZINC000019721037	368761464	/nfs/dbraw/zinc/76/14/64/368761464.db2.gz	IDNLCTISTSJTCZ-UHFFFAOYSA-N	1	0	295.342	3.408	50	5		CGBARO
O=[N+]([O-])c1ccccc1C[NH2+]C1(c2ccccc2)CC1	ZINC000069486834	369761699	/nfs/dbraw/zinc/76/16/99/369761699.db2.gz	VTOVBUHNSDRMJN-UHFFFAOYSA-N	1	0	268.316	3.374	50	5		CGBARO
C[n+]1c2ccccc2sc1CCc1ccc([N+](=O)[O-])cc1	ZINC000005677345	170127305	/nfs/dbraw/zinc/12/73/05/170127305.db2.gz	JEFWAWKPHOIRKF-UHFFFAOYSA-N	1	0	299.375	3.419	50	5		CGBARO
Cc1cc(O[C@@H](C)CC[N+](C)(C)C)nc2ccccc12	ZINC000000525392	368383689	/nfs/dbraw/zinc/38/36/89/368383689.db2.gz	HYFWJKSNPVOLIL-AWEZNQCLSA-N	1	0	273.400	3.407	50	5		CGBARO
O=[N+]([O-])c1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Cl)c1	ZINC000042774235	369231871	/nfs/dbraw/zinc/23/18/71/369231871.db2.gz	YVXGGQZGEAHKMV-JTQLQIEISA-N	1	0	284.743	3.159	50	5		CGBARO
CCCCC(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12	ZINC000253389768	519916666	/nfs/dbraw/zinc/91/66/66/519916666.db2.gz	AOILQXDETFRWHF-UXLLHSPISA-N	1	0	268.421	3.129	50	5	biogenic	CGBARO
CC(=O)N(CCC[N+](C)(C)C)C[C@H]1[C@H](C)CC(C)=C[C@@H]1C	ZINC000101840635	618566637	/nfs/dbraw/zinc/56/66/37/618566637.db2.gz	FCGZADSCSSGARV-LZLYRXPVSA-N	1	0	295.491	3.170	50	5		CGBARO
COC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000096007790	185064325	/nfs/dbraw/zinc/06/43/25/185064325.db2.gz	NTQROFIZTWSIQJ-NSHDSACASA-N	1	0	298.770	3.107	50	5		CGBARO
Cc1cc2nc3ccc(=[N+](C)C)cc-3sc2cc1C	ZINC000197086301	346277038	/nfs/dbraw/zinc/27/70/38/346277038.db2.gz	LTJOUDWSMUMIPS-UHFFFAOYSA-N	1	0	269.393	3.050	50	5		CGBARO
CC[NH+](CC)CCCCOc1ccccc1[N+](=O)[O-]	ZINC000002880494	368484586	/nfs/dbraw/zinc/48/45/86/368484586.db2.gz	HCVCJNOHOPGLPR-UHFFFAOYSA-N	1	0	266.341	3.096	50	5		CGBARO
[NH3+]CCCCCCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000004565472	368550761	/nfs/dbraw/zinc/55/07/61/368550761.db2.gz	DARXWAYBBNRKSL-UHFFFAOYSA-N	1	0	271.748	3.179	50	5		CGBARO
C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cn2)CCCCCC1	ZINC000022807487	368812227	/nfs/dbraw/zinc/81/22/27/368812227.db2.gz	WFEHOPMKSUHSCO-UHFFFAOYSA-N	1	0	292.383	3.056	50	5		CGBARO
CCNc1cc[nH+]c(COc2ccc([N+](=O)[O-])cc2)c1	ZINC000089977934	370054171	/nfs/dbraw/zinc/05/41/71/370054171.db2.gz	VJUCTMAJUKSMDN-UHFFFAOYSA-N	1	0	273.292	3.001	50	5		CGBARO
Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1F	ZINC000070160146	165060304	/nfs/dbraw/zinc/06/03/04/165060304.db2.gz	CTUUBKXWZIKEKB-UHFFFAOYSA-N	1	0	274.295	3.332	50	5		CGBARO
O=[N+]([O-])c1ccc(OCCC[NH+]2CCCCCC2)cc1	ZINC000002838832	169836446	/nfs/dbraw/zinc/83/64/46/169836446.db2.gz	VXZHJMKGCPKYKA-UHFFFAOYSA-N	1	0	278.352	3.240	50	5		CGBARO
CC1CC[NH+](CCCCOc2cccc([N+](=O)[O-])c2)CC1	ZINC000004868961	170034021	/nfs/dbraw/zinc/03/40/21/170034021.db2.gz	IZBYZBIPNHBZER-UHFFFAOYSA-N	1	0	292.379	3.486	50	5		CGBARO
O=[N+]([O-])c1ccc(CSC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1	ZINC000009513714	170379998	/nfs/dbraw/zinc/37/99/98/170379998.db2.gz	UUYPORLIOBXRIL-BETUJISGSA-N	1	0	291.376	3.098	50	5		CGBARO
C[N@H+](CCc1ccccc1)Cc1ccccc1[N+](=O)[O-]	ZINC000019632823	368757986	/nfs/dbraw/zinc/75/79/86/368757986.db2.gz	HAGQRWCVAFWKIM-UHFFFAOYSA-N	1	0	270.332	3.269	50	5		CGBARO
O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1	ZINC000019536230	285114186	/nfs/dbraw/zinc/11/41/86/285114186.db2.gz	ZPCZTMXXHZOATF-UHFFFAOYSA-N	1	0	268.316	3.153	50	5		CGBARO
CCCC[NH2+]CCCOc1ccc(C)cc1[N+](=O)[O-]	ZINC000003461124	169889758	/nfs/dbraw/zinc/88/97/58/169889758.db2.gz	KIIUURIKEYBZRL-UHFFFAOYSA-N	1	0	266.341	3.062	50	5		CGBARO
Cc1ccc2c(c1C)n(CCC[NH3+])c1ccccc1c2=O	ZINC000003828042	281136413	/nfs/dbraw/zinc/13/64/13/281136413.db2.gz	CFPDEQBPNROZDC-UHFFFAOYSA-N	1	0	280.371	3.120	50	5	in-vitro	CGBARO
O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1CCCCC1	ZINC000083391738	178397516	/nfs/dbraw/zinc/39/75/16/178397516.db2.gz	LLWAMQJKEQXRQH-UHFFFAOYSA-N	1	0	252.289	3.156	50	5		CGBARO
Cc1cc(OCCC[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-]	ZINC000002823320	368480335	/nfs/dbraw/zinc/48/03/35/368480335.db2.gz	LCMHCDCFEGJVCG-ZDUSSCGKSA-N	1	0	292.379	3.404	50	5		CGBARO
Cc1cccnc1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-]	ZINC000154665230	371866417	/nfs/dbraw/zinc/86/64/17/371866417.db2.gz	QSDHKKGDBDCQSV-AWEZNQCLSA-N	1	0	299.374	3.409	50	5		CGBARO
Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000007538104	170290021	/nfs/dbraw/zinc/29/00/21/170290021.db2.gz	TZWYIAHTROSWJT-UHFFFAOYSA-N	1	0	256.305	3.193	50	5		CGBARO
CC[NH+](CC)CCCOc1ccc(C)cc1[N+](=O)[O-]	ZINC000003001303	368487786	/nfs/dbraw/zinc/48/77/86/368487786.db2.gz	FXFJAJKLGMNYME-UHFFFAOYSA-N	1	0	266.341	3.014	50	5		CGBARO
C[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000004989156	170050143	/nfs/dbraw/zinc/05/01/43/170050143.db2.gz	WDUFHALGCCZXFY-YSKGHYERSA-N	1	0	260.337	3.482	50	5		CGBARO
C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000020035366	368794588	/nfs/dbraw/zinc/79/45/88/368794588.db2.gz	FCBCKDRJNBHFGB-LBPRGKRZSA-N	1	0	256.305	3.446	50	5		CGBARO
Cc1c([C@H](C)[NH2+]CCc2ccccn2)cccc1[N+](=O)[O-]	ZINC000095419145	370186747	/nfs/dbraw/zinc/18/67/47/370186747.db2.gz	TYZDEHPHJVHFFK-ZDUSSCGKSA-N	1	0	285.347	3.192	50	5		CGBARO
O=[N+]([O-])c1ccc(CSC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1	ZINC000009513715	170379764	/nfs/dbraw/zinc/37/97/64/170379764.db2.gz	UUYPORLIOBXRIL-STQMWFEESA-N	1	0	291.376	3.098	50	5		CGBARO
CC[N+](C)(C)C[C@@H]1CCCC[C@]1(O)c1cccc(OC)c1	ZINC000000490001	368378982	/nfs/dbraw/zinc/37/89/82/368378982.db2.gz	RJAROMXLRSTRGU-WMZOPIPTSA-N	1	0	292.443	3.169	50	5	biogenic	CGBARO
c1ccc(Oc2ccccc2C[N+]23CCN(CC2)CC3)cc1	ZINC000029221621	368892937	/nfs/dbraw/zinc/89/29/37/368892937.db2.gz	WXARAJAOLFGVEL-UHFFFAOYSA-N	1	0	295.406	3.125	50	5		CGBARO
CCC[N+](C)(C)[C@H](C)[C@@H](OC(C)=O)c1ccccc1	ZINC000005252408	276054184	/nfs/dbraw/zinc/05/41/84/276054184.db2.gz	DEAFFDUUUHQLEP-CZUORRHYSA-N	1	0	264.389	3.166	50	5		CGBARO
COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C	ZINC000095940913	185036386	/nfs/dbraw/zinc/03/63/86/185036386.db2.gz	OZLIRNDSMFSLBV-GFCCVEGCSA-N	1	0	286.759	3.009	50	5		CGBARO
CC[n+]1ccc(/C=C\c2cccc([N+](=O)[O-])c2)cc1	ZINC000016980906	368723803	/nfs/dbraw/zinc/72/38/03/368723803.db2.gz	QBBKXVFDWVKZCD-SREVYHEPSA-N	1	0	255.297	3.073	50	5		CGBARO
O=[N+]([O-])c1cccc(C[NH2+]CCc2cccc(F)c2)c1	ZINC000019720704	368761623	/nfs/dbraw/zinc/76/16/23/368761623.db2.gz	QEKXIGHAQOGNNF-UHFFFAOYSA-N	1	0	274.295	3.066	50	5		CGBARO
CC[N+](C)(C)C[C@H]1CCCC[C@]1(O)c1cccc(OC)c1	ZINC000001322743	169695082	/nfs/dbraw/zinc/69/50/82/169695082.db2.gz	RJAROMXLRSTRGU-AEFFLSMTSA-N	1	0	292.443	3.169	50	5	biogenic	CGBARO
CC[C@@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])c(C)c1	ZINC000002823773	368480360	/nfs/dbraw/zinc/48/03/60/368480360.db2.gz	BTHQTNRCWDZKEQ-GFCCVEGCSA-N	1	0	266.341	3.060	50	5		CGBARO
O=[N+]([O-])c1cccc(C[NH2+]CCc2ccc(F)cc2)c1	ZINC000019720668	368761587	/nfs/dbraw/zinc/76/15/87/368761587.db2.gz	RGOBPOMSYBEPJQ-UHFFFAOYSA-N	1	0	274.295	3.066	50	5		CGBARO
O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)c1	ZINC000047272565	369311530	/nfs/dbraw/zinc/31/15/30/369311530.db2.gz	QZEQERWRTZTGNG-ZIAGYGMSSA-N	1	0	295.770	3.287	50	5		CGBARO
Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cc1[N+](=O)[O-]	ZINC000163875426	372495811	/nfs/dbraw/zinc/49/58/11/372495811.db2.gz	HPHMXOPHTDIMOF-RYUDHWBXSA-N	1	0	288.351	3.049	50	5		CGBARO
C[C@@H]1C[C@@H](C)C[NH+](CCCOc2ccccc2[N+](=O)[O-])C1	ZINC000002822808	169834692	/nfs/dbraw/zinc/83/46/92/169834692.db2.gz	PTLMVVWYWFSMLQ-ZIAGYGMSSA-N	1	0	292.379	3.342	50	5		CGBARO
CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])s1	ZINC000004988946	170050138	/nfs/dbraw/zinc/05/01/38/170050138.db2.gz	UWTXNBVTYGXDNT-JTQLQIEISA-N	1	0	254.355	3.421	50	5		CGBARO
O=[N+]([O-])c1ccc(C[NH2+]C2CCCC2)cc1Cl	ZINC000187610947	375056173	/nfs/dbraw/zinc/05/61/73/375056173.db2.gz	SGXPUPUKGHDMHY-UHFFFAOYSA-N	1	0	254.717	3.280	50	5		CGBARO
C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)c1ccccc1)CCC2	ZINC000252441092	377621569	/nfs/dbraw/zinc/62/15/69/377621569.db2.gz	FWQJGKVXIDRPGT-SCTDSRPQSA-N	1	0	288.411	3.253	50	5	biogenic	CGBARO
C[NH+](C)CCCn1c2ccccc2c2ccccc2c1=O	ZINC000000001418	169502950	/nfs/dbraw/zinc/50/29/50/169502950.db2.gz	TVPFRFLDGAWGAM-UHFFFAOYSA-N	1	0	280.371	3.106	50	5	in-man	CGBARO
CC[n+]1ccc(/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000001606124	169724171	/nfs/dbraw/zinc/72/41/71/169724171.db2.gz	QBBKXVFDWVKZCD-VOTSOKGWSA-N	1	0	255.297	3.073	50	5		CGBARO
COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@H]1C	ZINC000004856345	170031171	/nfs/dbraw/zinc/03/11/71/170031171.db2.gz	AZGRRMFLIVWBTP-BXUZGUMPSA-N	1	0	278.352	3.272	50	5		CGBARO
O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)cc1	ZINC000125457277	187185802	/nfs/dbraw/zinc/18/58/02/187185802.db2.gz	OEMIQBNDBJLKLZ-INIZCTEOSA-N	1	0	283.331	3.327	50	5		CGBARO
C[NH2+]CCCCOc1cccc2c(=O)c3ccccc3oc12	ZINC000004128833	368532625	/nfs/dbraw/zinc/53/26/25/368532625.db2.gz	IKEOQUJJMNVMNU-UHFFFAOYSA-N	1	0	297.354	3.325	50	5		CGBARO
C[NH+]1CCC(Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC1	ZINC000383504699	379873004	/nfs/dbraw/zinc/87/30/04/379873004.db2.gz	BZUUFFKZTPHQJL-UHFFFAOYSA-N	1	0	285.294	3.039	50	5		CGBARO
Cc1cc(OCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-]	ZINC000004986111	170049356	/nfs/dbraw/zinc/04/93/56/170049356.db2.gz	CWQIRMHEVHBAKS-UHFFFAOYSA-N	1	0	278.352	3.158	50	5		CGBARO
CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000072302149	176365149	/nfs/dbraw/zinc/36/51/49/176365149.db2.gz	PWOWBJCJJBIUEN-NSHDSACASA-N	1	0	297.786	3.026	50	5		CGBARO
CCCC[N+]12CCC(CC1)[C@H](OC(=O)c1ccccc1)C2	ZINC000001833733	368438763	/nfs/dbraw/zinc/43/87/63/368438763.db2.gz	VBOCSQAMZGTLAV-URSIVYNOSA-N	1	0	288.411	3.253	50	5		CGBARO
CC[NH+](CC)CCCCOc1ccc([N+](=O)[O-])cc1	ZINC000002875137	368483134	/nfs/dbraw/zinc/48/31/34/368483134.db2.gz	DCXGAJBPCOBCMR-UHFFFAOYSA-N	1	0	266.341	3.096	50	5		CGBARO
C[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1	ZINC000016663024	368720215	/nfs/dbraw/zinc/72/02/15/368720215.db2.gz	GDHUXFNPJGKJSB-UHFFFAOYSA-N	1	0	270.332	3.269	50	5		CGBARO
CC[NH2+]Cc1cc(=O)oc2ccc3ccccc3c12	ZINC000012974446	541852034	/nfs/dbraw/zinc/85/20/34/541852034.db2.gz	JFERYJMJOMXTOS-UHFFFAOYSA-N	1	0	253.301	3.056	50	5		CGBARO
O=[N+]([O-])c1cc(Cl)ccc1OCC[C@@H]1CCCC[NH2+]1	ZINC000042771356	285090687	/nfs/dbraw/zinc/09/06/87/285090687.db2.gz	SNTHFAZOLCHVMZ-NSHDSACASA-N	1	0	284.743	3.159	50	5		CGBARO
Cc1ccc([N+](=O)[O-])c(OCCC[NH2+]C2CCCC2)c1	ZINC000002844452	260010321	/nfs/dbraw/zinc/01/03/21/260010321.db2.gz	VZSGEDDHPIQVKO-UHFFFAOYSA-N	1	0	278.352	3.204	50	5		CGBARO
NC(=[NH2+])SCc1cc(=O)oc2ccc3ccccc3c12	ZINC000007715608	274932006	/nfs/dbraw/zinc/93/20/06/274932006.db2.gz	YHABHZWETGODPR-UHFFFAOYSA-N	1	0	284.340	3.073	50	5		CGBARO
CC1=C[C@H](C)[C@H]2CO[C@@H](C3=CCC[N+](C)(C)C3)[C@@H]1[C@@H]2C	ZINC000000491248	281697091	/nfs/dbraw/zinc/69/70/91/281697091.db2.gz	UTSXCLQQDIBOGU-JFRPJSFFSA-N	1	0	276.444	3.256	50	5	biogenic	CGBARO
C[C@H](c1ccccc1)[C@H]1OC[C@H](C[N+]2(C)CCCCC2)O1	ZINC000004185226	368535065	/nfs/dbraw/zinc/53/50/65/368535065.db2.gz	JGEAUUUFVBZFSN-NJAFHUGGSA-N	1	0	290.427	3.162	50	5		CGBARO
C[N@+]12CCCC[C@@H]1[C@H](COC(=O)c1cccs1)CCC2	ZINC000252441432	377621982	/nfs/dbraw/zinc/62/19/82/377621982.db2.gz	VFBGOHJRQMLKDQ-JJRVBVJISA-N	1	0	294.440	3.314	50	5	biogenic	CGBARO
COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@@H]1C	ZINC000004856342	170031222	/nfs/dbraw/zinc/03/12/22/170031222.db2.gz	AZGRRMFLIVWBTP-FZMZJTMJSA-N	1	0	278.352	3.272	50	5		CGBARO
Cc1ccc([N+](=O)[O-])c(OCC[NH+]2CCCCCC2)c1	ZINC000004985783	170049035	/nfs/dbraw/zinc/04/90/35/170049035.db2.gz	BUTMLLMFIQVESW-UHFFFAOYSA-N	1	0	278.352	3.158	50	5		CGBARO
O=[N+]([O-])c1ccc(CSC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1	ZINC000009513716	170379906	/nfs/dbraw/zinc/37/99/06/170379906.db2.gz	UUYPORLIOBXRIL-CHWSQXEVSA-N	1	0	291.376	3.098	50	5		CGBARO
CCC[N+]12CCC(CC1)[C@@H](C(=O)c1cccs1)C2	ZINC000000198171	368313577	/nfs/dbraw/zinc/31/35/77/368313577.db2.gz	SXNLYKALCQBBGR-UYJPIKCFSA-N	1	0	264.414	3.197	50	5		CGBARO
CCCC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000055292290	369515308	/nfs/dbraw/zinc/51/53/08/369515308.db2.gz	YATXEZYQSWCASP-UHFFFAOYSA-N	1	0	256.733	3.480	50	5		CGBARO
C[N@H+]1CC=C(CCNc2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000095446200	370195025	/nfs/dbraw/zinc/19/50/25/370195025.db2.gz	GRPBLGBXZARIKF-UHFFFAOYSA-N	1	0	295.770	3.312	50	5		CGBARO
CCC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1	ZINC000048274182	416447954	/nfs/dbraw/zinc/44/79/54/416447954.db2.gz	IPDBSYFGWZITHZ-UHFFFAOYSA-N	1	0	288.351	3.024	50	5		CGBARO
CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccncc1	ZINC000096012821	185065219	/nfs/dbraw/zinc/06/52/19/185065219.db2.gz	XOSHIGLOKJYIOE-CQSZACIVSA-N	1	0	271.320	3.231	50	5		CGBARO
O=[N+]([O-])c1ccc2c(C[NH+]3CCCCCC3)c[nH]c2c1	ZINC000001852834	368440103	/nfs/dbraw/zinc/44/01/03/368440103.db2.gz	JAYXGHMHYKCWKM-UHFFFAOYSA-N	1	0	273.336	3.452	50	5		CGBARO
Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000095434247	370192234	/nfs/dbraw/zinc/19/22/34/370192234.db2.gz	SAKFOHQOERFJRA-JTQLQIEISA-N	1	0	289.335	3.093	50	5		CGBARO
C[N@+]1(Cc2ccccc2)CCC[C@@H]1c1ccc(N)nc1	ZINC000245380053	376802583	/nfs/dbraw/zinc/80/25/83/376802583.db2.gz	PUHXBHUWCKYEFK-OXQOHEQNSA-N	1	0	268.384	3.146	50	5	biogenic,in-vitro	CGBARO
Cc1ccc(OCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1	ZINC000003003338	169849345	/nfs/dbraw/zinc/84/93/45/169849345.db2.gz	LRXVRIZGDFANSK-UHFFFAOYSA-N	1	0	278.352	3.158	50	5		CGBARO
Cc1cc(N[C@H](C)CCCO)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000096008511	185064040	/nfs/dbraw/zinc/06/40/40/185064040.db2.gz	ZFPKRQMIFJXEEX-SNVBAGLBSA-N	1	0	289.335	3.024	50	5		CGBARO
C#CC[N+](CC)(CC)CC#Cc1cccc(Cl)c1	ZINC000000196852	169571031	/nfs/dbraw/zinc/57/10/31/169571031.db2.gz	UURYMBJDOYWGOF-UHFFFAOYSA-N	1	0	260.788	3.181	50	5		CGBARO
O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(F)cc2)cc1	ZINC000019841330	285115180	/nfs/dbraw/zinc/11/51/80/285115180.db2.gz	YPXJMSHPWWJFJB-UHFFFAOYSA-N	1	0	274.295	3.066	50	5		CGBARO
Cc1c(C[N@@H+](C(C)C)C2CCOCC2)cccc1[N+](=O)[O-]	ZINC000096419592	392252518	/nfs/dbraw/zinc/25/25/18/392252518.db2.gz	MASUSQUHLAAUNG-UHFFFAOYSA-N	1	0	292.379	3.293	50	5		CGBARO