smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1cc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000071821602	205298367	/nfs/dbraw/zinc/29/83/67/205298367.db2.gz	TUZCCCYYTFHNBL-UHFFFAOYSA-N	1	1	384.480	3.804	50	5		GHBAMO
CC[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1	ZINC000008609594	221046584	/nfs/dbraw/zinc/04/65/84/221046584.db2.gz	CJUJYMSRCLDGPE-HNNXBMFYSA-N	1	1	379.460	3.853	50	5		GHBAMO
O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1cccc([N+](=O)[O-])c1	ZINC000012915604	570293153	/nfs/dbraw/zinc/29/31/53/570293153.db2.gz	GUVOUZDDLZGOAH-UHFFFAOYSA-N	1	1	397.431	3.707	50	5		GHBAMO
C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000015300270	570889857	/nfs/dbraw/zinc/88/98/57/570889857.db2.gz	YQWADUNEAHJVIB-UHFFFAOYSA-N	1	1	380.347	3.695	50	5		GHBAMO
C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000015300270	570889861	/nfs/dbraw/zinc/88/98/61/570889861.db2.gz	YQWADUNEAHJVIB-UHFFFAOYSA-N	1	1	380.347	3.695	50	5		GHBAMO
O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000089821220	570916242	/nfs/dbraw/zinc/91/62/42/570916242.db2.gz	KVUBJZBPIUBBBB-NVXWUHKLSA-N	1	1	396.365	3.800	50	5		GHBAMO
O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000089821220	570916244	/nfs/dbraw/zinc/91/62/44/570916244.db2.gz	KVUBJZBPIUBBBB-NVXWUHKLSA-N	1	1	396.365	3.800	50	5		GHBAMO
COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[NH+]2CCCCC2)cc1	ZINC000006865313	204216590	/nfs/dbraw/zinc/21/65/90/204216590.db2.gz	HFSANJYQBLWOHL-INIZCTEOSA-N	1	1	389.477	3.622	50	5		GHBAMO
Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CSc1ccc([N+](=O)[O-])cc1	ZINC000008746217	204287052	/nfs/dbraw/zinc/28/70/52/204287052.db2.gz	GTMNTSZVRMQZQC-QUCCMNQESA-N	1	1	397.500	3.830	50	5		GHBAMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000252675680	570481237	/nfs/dbraw/zinc/48/12/37/570481237.db2.gz	USQDQEIRSRCUKV-OXQOHEQNSA-N	1	1	382.464	3.969	50	5		GHBAMO
C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2ccccc2[N+](=O)[O-])C1	ZINC000040107102	856664428	/nfs/dbraw/zinc/66/44/28/856664428.db2.gz	NEMHYXYPHFUOBG-KRWDZBQOSA-N	1	1	381.476	3.686	50	5		GHBAMO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1	ZINC000263585794	570914688	/nfs/dbraw/zinc/91/46/88/570914688.db2.gz	MPANFRBATGWFFA-DOTOQJQBSA-N	1	1	391.427	3.636	50	5	biogenic	GHBAMO
NC(=O)c1ccc(C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)c([N+](=O)[O-])c1	ZINC000053109278	570998401	/nfs/dbraw/zinc/99/84/01/570998401.db2.gz	LDMGIGSXGOLQQW-UHFFFAOYSA-N	1	1	393.365	3.877	50	5		GHBAMO
NC(=O)c1ccc(C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)c([N+](=O)[O-])c1	ZINC000053109278	570998402	/nfs/dbraw/zinc/99/84/02/570998402.db2.gz	LDMGIGSXGOLQQW-UHFFFAOYSA-N	1	1	393.365	3.877	50	5		GHBAMO
COc1cc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)ccc1OC(F)F	ZINC000036396712	204319686	/nfs/dbraw/zinc/31/96/86/204319686.db2.gz	OKOHJTVRBZSXQN-UHFFFAOYSA-N	1	1	382.363	3.716	50	5		GHBAMO
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CSc1ccc([N+](=O)[O-])cc1	ZINC000012690081	570949278	/nfs/dbraw/zinc/94/92/78/570949278.db2.gz	GTMNTSZVRMQZQC-AZUAARDMSA-N	1	1	397.500	3.830	50	5		GHBAMO
CCc1ccc2c(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)cc(=O)oc2c1	ZINC000012633661	898975777	/nfs/dbraw/zinc/97/57/77/898975777.db2.gz	ZJKOVQNZFPVSOG-UHFFFAOYSA-N	1	1	393.443	3.586	50	5		GHBAMO
O=[N+]([O-])c1ccccc1C[NH+]1CCC(N2CCN(c3ccccc3F)CC2)CC1	ZINC000004712141	204067602	/nfs/dbraw/zinc/06/76/02/204067602.db2.gz	UEORUNVMRNBSCX-UHFFFAOYSA-N	1	1	398.482	3.521	50	5		GHBAMO
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccsc1	ZINC000040154247	205059211	/nfs/dbraw/zinc/05/92/11/205059211.db2.gz	POHCKJLZBQRDTP-MRXNPFEDSA-N	1	1	375.450	3.831	50	5		GHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl	ZINC000057315543	205156196	/nfs/dbraw/zinc/15/61/96/205156196.db2.gz	HGCQVEMMANWOSF-RYUDHWBXSA-N	1	1	377.828	3.935	50	5		GHBAMO
CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1	ZINC000008594876	221045566	/nfs/dbraw/zinc/04/55/66/221045566.db2.gz	CJUJYMSRCLDGPE-OAHLLOKOSA-N	1	1	379.460	3.853	50	5		GHBAMO
O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000095080975	136177740	/nfs/dbraw/zinc/17/77/40/136177740.db2.gz	JPMOPCKFEUDMMY-UHFFFAOYSA-N	1	1	376.254	3.680	50	5		GHBAMO
O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cc1	ZINC000012527634	136200520	/nfs/dbraw/zinc/20/05/20/136200520.db2.gz	FEQWUEFHPZBWIL-UHFFFAOYSA-N	1	1	381.354	3.816	50	5		GHBAMO
C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)COc3ccccc3[N+](=O)[O-])cc2)C1	ZINC000040106640	205052085	/nfs/dbraw/zinc/05/20/85/205052085.db2.gz	LLVHVTCVVGCPMY-KRWDZBQOSA-N	1	1	397.475	3.522	50	5		GHBAMO
COc1ccc([C@H]2CCC[N@@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000048343189	570239841	/nfs/dbraw/zinc/23/98/41/570239841.db2.gz	KSJDNVZZTYUVGJ-LJQANCHMSA-N	1	1	379.420	3.657	50	5		GHBAMO
COc1ccc([C@H]2CCC[N@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000048343189	570239844	/nfs/dbraw/zinc/23/98/44/570239844.db2.gz	KSJDNVZZTYUVGJ-LJQANCHMSA-N	1	1	379.420	3.657	50	5		GHBAMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000079046102	844480540	/nfs/dbraw/zinc/48/05/40/844480540.db2.gz	USQDQEIRSRCUKV-JXFKEZNVSA-N	1	1	382.464	3.969	50	5		GHBAMO
O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(OCc4ccccc4)CC3)n2)c1	ZINC000040086053	205050476	/nfs/dbraw/zinc/05/04/76/205050476.db2.gz	XGMXORPDDCBUOM-UHFFFAOYSA-N	1	1	394.431	3.826	50	5		GHBAMO
C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1	ZINC000032930258	206095910	/nfs/dbraw/zinc/09/59/10/206095910.db2.gz	NNFAXAGSORMCLW-QGZVFWFLSA-N	1	1	397.475	3.664	50	5		GHBAMO
C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2ccccc2[N+](=O)[O-])C1	ZINC000040107101	856664337	/nfs/dbraw/zinc/66/43/37/856664337.db2.gz	NEMHYXYPHFUOBG-QGZVFWFLSA-N	1	1	381.476	3.686	50	5		GHBAMO
CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1	ZINC000005204041	204119426	/nfs/dbraw/zinc/11/94/26/204119426.db2.gz	ZFAMEJFHOOZAHI-UHFFFAOYSA-N	1	1	388.855	3.642	50	5		GHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1	ZINC000007267334	204237893	/nfs/dbraw/zinc/23/78/93/204237893.db2.gz	KAHPOFBKKKJUNT-GFCCVEGCSA-N	1	1	377.828	3.716	50	5		GHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1	ZINC000007267334	204237894	/nfs/dbraw/zinc/23/78/94/204237894.db2.gz	KAHPOFBKKKJUNT-GFCCVEGCSA-N	1	1	377.828	3.716	50	5		GHBAMO
COc1cc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(C)cc1[N+](=O)[O-]	ZINC000007788131	204250977	/nfs/dbraw/zinc/25/09/77/204250977.db2.gz	WQOUFSBQBICTGZ-UHFFFAOYSA-N	1	1	397.475	3.805	50	5		GHBAMO
C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)COc3ccccc3[N+](=O)[O-])cc2)C1	ZINC000040106639	205053223	/nfs/dbraw/zinc/05/32/23/205053223.db2.gz	LLVHVTCVVGCPMY-QGZVFWFLSA-N	1	1	397.475	3.522	50	5		GHBAMO
Cc1ccc2c(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)cc(=O)oc2c1C	ZINC000016564647	570447437	/nfs/dbraw/zinc/44/74/37/570447437.db2.gz	KAKUTKDDZAGQCE-UHFFFAOYSA-N	1	1	393.443	3.640	50	5		GHBAMO
C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl	ZINC000012747209	570990379	/nfs/dbraw/zinc/99/03/79/570990379.db2.gz	AARCRSVAFOCOAU-INIZCTEOSA-N	1	1	382.247	3.934	50	5		GHBAMO
COc1cc(NC(=O)O[C@@H]2CCN3Cc4ccccc4[NH+]=C23)c(C)cc1[N+](=O)[O-]	ZINC000005388599	204129457	/nfs/dbraw/zinc/12/94/57/204129457.db2.gz	LWVXWGFPAUTRAF-QGZVFWFLSA-N	1	1	396.403	3.778	50	5		GHBAMO
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccsc1	ZINC000040154248	205059473	/nfs/dbraw/zinc/05/94/73/205059473.db2.gz	POHCKJLZBQRDTP-INIZCTEOSA-N	1	1	375.450	3.831	50	5		GHBAMO
O=C(c1cc2c(ccc3ccccc32)oc1=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000019799597	570220361	/nfs/dbraw/zinc/22/03/61/570220361.db2.gz	JUTBXKZNDHYOPS-UHFFFAOYSA-N	1	1	398.462	3.904	50	5		GHBAMO
COc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	ZINC000011172726	204342632	/nfs/dbraw/zinc/34/26/32/204342632.db2.gz	RDBUUAFNKGDXIQ-UHFFFAOYSA-N	1	1	375.856	3.969	50	5		GHBAMO
O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1	ZINC000047996058	570216677	/nfs/dbraw/zinc/21/66/77/570216677.db2.gz	ODKKPJCARWDCLF-AWEZNQCLSA-N	1	1	377.404	3.923	50	5		GHBAMO
CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000012879059	570275852	/nfs/dbraw/zinc/27/58/52/570275852.db2.gz	LDSHFBDHIBXWTR-FQEVSTJZSA-N	1	1	383.448	3.793	50	5		GHBAMO
CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000012879059	570275857	/nfs/dbraw/zinc/27/58/57/570275857.db2.gz	LDSHFBDHIBXWTR-FQEVSTJZSA-N	1	1	383.448	3.793	50	5		GHBAMO
O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000107534053	570974846	/nfs/dbraw/zinc/97/48/46/570974846.db2.gz	KVUBJZBPIUBBBB-WBVHZDCISA-N	1	1	396.365	3.800	50	5		GHBAMO
O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000107534053	570974849	/nfs/dbraw/zinc/97/48/49/570974849.db2.gz	KVUBJZBPIUBBBB-WBVHZDCISA-N	1	1	396.365	3.800	50	5		GHBAMO
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CSc1ccc([N+](=O)[O-])cc1	ZINC000008746216	204286897	/nfs/dbraw/zinc/28/68/97/204286897.db2.gz	GTMNTSZVRMQZQC-ICSRJNTNSA-N	1	1	397.500	3.830	50	5		GHBAMO
O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1	ZINC000014703394	570623189	/nfs/dbraw/zinc/62/31/89/570623189.db2.gz	TVIDGQMAXPTUAU-UHFFFAOYSA-N	1	1	380.370	3.721	50	5		GHBAMO
O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCOCC2)c2ncccc12	ZINC000029874868	900479992	/nfs/dbraw/zinc/47/99/92/900479992.db2.gz	FSHMYXACVBECIV-UHFFFAOYSA-N	1	1	378.432	3.587	50	5		GHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1cccs1	ZINC000252453058	570958460	/nfs/dbraw/zinc/95/84/60/570958460.db2.gz	YYRDYZJCKOOSHC-WFASDCNBSA-N	1	1	375.450	3.829	50	5		GHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1cccs1	ZINC000252453058	570958463	/nfs/dbraw/zinc/95/84/63/570958463.db2.gz	YYRDYZJCKOOSHC-WFASDCNBSA-N	1	1	375.450	3.829	50	5		GHBAMO
CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000005027958	204104267	/nfs/dbraw/zinc/10/42/67/204104267.db2.gz	NRHZWEIOWPCRBP-UHFFFAOYSA-N	1	1	388.855	3.642	50	5		GHBAMO
CC[N@@H+]1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1	ZINC000015880168	570282501	/nfs/dbraw/zinc/28/25/01/570282501.db2.gz	USRJJHQVWXAGEB-UHFFFAOYSA-N	1	1	388.474	3.896	50	5		GHBAMO
CC[N@H+]1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1	ZINC000015880168	570282503	/nfs/dbraw/zinc/28/25/03/570282503.db2.gz	USRJJHQVWXAGEB-UHFFFAOYSA-N	1	1	388.474	3.896	50	5		GHBAMO
Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc2c3ccccc3oc(=O)c12	ZINC000004326531	570571658	/nfs/dbraw/zinc/57/16/58/570571658.db2.gz	XZKDGTWGTSBDNN-OKILXGFUSA-N	1	1	379.460	3.566	50	5		GHBAMO
COC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C	ZINC000052507970	570751018	/nfs/dbraw/zinc/75/10/18/570751018.db2.gz	AHAURRPMZVUDDQ-OAQYLSRUSA-N	1	1	397.475	3.728	50	5		GHBAMO
O=[N+]([O-])c1cc2c(cc1CN1CC[N@H+]3CCC[C@@H]3[C@H]1C1CCCCC1)OCO2	ZINC000239412383	570829950	/nfs/dbraw/zinc/82/99/50/570829950.db2.gz	SQECFFDNMFIDTN-DYESRHJHSA-N	1	1	387.480	3.552	50	5		GHBAMO
CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](C=Cc2cccc([N+](=O)[O-])c2)N3)C1	ZINC000004556329	570882620	/nfs/dbraw/zinc/88/26/20/570882620.db2.gz	FYGXEEBELLWOCP-WLMCBFPDSA-N	1	1	384.461	3.804	50	5		GHBAMO
C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000026712670	207318374	/nfs/dbraw/zinc/31/83/74/207318374.db2.gz	WUZBLURWLFCKKE-AWEZNQCLSA-N	1	1	385.247	3.773	50	5		GHBAMO
C[N@H+](Cc1cccc(Cl)c1Cl)C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000026712670	207318375	/nfs/dbraw/zinc/31/83/75/207318375.db2.gz	WUZBLURWLFCKKE-AWEZNQCLSA-N	1	1	385.247	3.773	50	5		GHBAMO
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000048332112	570238696	/nfs/dbraw/zinc/23/86/96/570238696.db2.gz	UABPJYBGAZTLBC-IYBDPMFKSA-N	1	1	396.491	3.706	50	5		GHBAMO
CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](C=Cc2cccc([N+](=O)[O-])c2)N3)C1	ZINC000004556330	570883031	/nfs/dbraw/zinc/88/30/31/570883031.db2.gz	FYGXEEBELLWOCP-MWWKQMNYSA-N	1	1	384.461	3.804	50	5		GHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1cccs1	ZINC000008320640	856114344	/nfs/dbraw/zinc/11/43/44/856114344.db2.gz	YYRDYZJCKOOSHC-SWLSCSKDSA-N	1	1	375.450	3.829	50	5		GHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1cccs1	ZINC000008320640	856114346	/nfs/dbraw/zinc/11/43/46/856114346.db2.gz	YYRDYZJCKOOSHC-SWLSCSKDSA-N	1	1	375.450	3.829	50	5		GHBAMO
Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cccc1[N+](=O)[O-]	ZINC000009190339	898647760	/nfs/dbraw/zinc/64/77/60/898647760.db2.gz	RCXRQNYLDKYLFN-UHFFFAOYSA-N	1	1	388.855	3.561	50	5		GHBAMO
C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1	ZINC000023732766	207282885	/nfs/dbraw/zinc/28/28/85/207282885.db2.gz	DANWQZKDYAGLGE-ZDUSSCGKSA-N	1	1	380.370	3.892	50	5		GHBAMO
CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000012879066	570275914	/nfs/dbraw/zinc/27/59/14/570275914.db2.gz	LDSHFBDHIBXWTR-HXUWFJFHSA-N	1	1	383.448	3.793	50	5		GHBAMO
CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000012879066	570275916	/nfs/dbraw/zinc/27/59/16/570275916.db2.gz	LDSHFBDHIBXWTR-HXUWFJFHSA-N	1	1	383.448	3.793	50	5		GHBAMO
Cc1cc(NC(=O)C[N@H+](C)C2CCCCC2)nc2c3ccccc3oc(=O)c12	ZINC000006472028	570443403	/nfs/dbraw/zinc/44/34/03/570443403.db2.gz	HWBHZVGNQKWJEU-UHFFFAOYSA-N	1	1	379.460	3.853	50	5		GHBAMO
COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[NH+]2CCCCC2)cc1	ZINC000006865311	570654641	/nfs/dbraw/zinc/65/46/41/570654641.db2.gz	HFSANJYQBLWOHL-MRXNPFEDSA-N	1	1	389.477	3.622	50	5		GHBAMO
O=C(Nc1nc(C[NH+]2CCCCC2)nc2ccccc21)c1cccc([N+](=O)[O-])c1	ZINC000011183086	570735594	/nfs/dbraw/zinc/73/55/94/570735594.db2.gz	DVQSDBBKYNUQGE-UHFFFAOYSA-N	1	1	391.431	3.776	50	5		GHBAMO
O=[N+]([O-])c1cc2c(cc1CN1CC[N@H+]3CCC[C@H]3[C@@H]1C1CCCCC1)OCO2	ZINC000239412385	570830049	/nfs/dbraw/zinc/83/00/49/570830049.db2.gz	SQECFFDNMFIDTN-UWJYYQICSA-N	1	1	387.480	3.552	50	5		GHBAMO
CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000009669083	898706919	/nfs/dbraw/zinc/70/69/19/898706919.db2.gz	LWDDDSSTXHIFNM-UHFFFAOYSA-N	1	1	388.855	3.642	50	5		GHBAMO
O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000019831912	207165383	/nfs/dbraw/zinc/16/53/83/207165383.db2.gz	CJWDFCIYUMUQQL-UHFFFAOYSA-N	1	1	375.428	3.706	50	5		GHBAMO
C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1	ZINC000032930255	570942380	/nfs/dbraw/zinc/94/23/80/570942380.db2.gz	DBIJJPXPURXJCN-KRWDZBQOSA-N	1	1	381.476	3.828	50	5		GHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1Cl	ZINC000057315544	861958892	/nfs/dbraw/zinc/95/88/92/861958892.db2.gz	HGCQVEMMANWOSF-NEPJUHHUSA-N	1	1	377.828	3.935	50	5		GHBAMO
c1ccc2c(c1)c(CN1CCOCC1)c1ccccc1c2C[NH+]1CCOCC1	ZINC000019287760	207113678	/nfs/dbraw/zinc/11/36/78/207113678.db2.gz	VLLFXWZDQHOGLC-UHFFFAOYSA-N	1	1	376.500	3.657	50	5	in-vitro	GHBAMO
O=[N+]([O-])c1c(Br)cccc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000095080980	136177725	/nfs/dbraw/zinc/17/77/25/136177725.db2.gz	NNGAILYYZIFTCG-UHFFFAOYSA-N	1	1	376.254	3.680	50	5		GHBAMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000079046097	844480288	/nfs/dbraw/zinc/48/02/88/844480288.db2.gz	USQDQEIRSRCUKV-UZLBHIALSA-N	1	1	382.464	3.969	50	5		GHBAMO
COc1cc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])cc1OC	ZINC000058440409	900912654	/nfs/dbraw/zinc/91/26/54/900912654.db2.gz	IAPONCHHDBZGNP-LJQANCHMSA-N	1	1	385.464	3.539	50	5		GHBAMO
Cc1[nH+]ccn1CCCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	ZINC000047676523	570214139	/nfs/dbraw/zinc/21/41/39/570214139.db2.gz	HFZBZXHNKLKNND-UHFFFAOYSA-N	1	1	379.420	3.663	50	5		GHBAMO
C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C1	ZINC000032930075	570943588	/nfs/dbraw/zinc/94/35/88/570943588.db2.gz	NDZNXQMKDJZLHF-KRWDZBQOSA-N	1	1	381.476	3.686	50	5		GHBAMO
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000003181143	901061229	/nfs/dbraw/zinc/06/12/29/901061229.db2.gz	HIKQRUATTDDDTQ-WSXJYFSRSA-N	1	1	377.444	3.751	50	5		GHBAMO
CC(C)c1nccc(C2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)n1	ZINC000089893784	208111840	/nfs/dbraw/zinc/11/18/40/208111840.db2.gz	IVFYQUKRZMRATK-UHFFFAOYSA-N	1	1	398.463	3.754	50	5		GHBAMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCCO)[C@H]1CCCc2ccccc21	ZINC000072308762	222222969	/nfs/dbraw/zinc/22/29/69/222222969.db2.gz	RYPYNJAUDVFVOP-NRFANRHFSA-N	1	1	397.475	3.604	50	5		GHBAMO
Cc1cc2nc3c4cc(F)ccc4n(CC[NH+]4CCOCC4)c3nc2cc1C	ZINC000013691266	570775956	/nfs/dbraw/zinc/77/59/56/570775956.db2.gz	VNUHOPRLJXYGAY-UHFFFAOYSA-N	1	1	378.451	3.826	50	5		GHBAMO
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000170609571	570866086	/nfs/dbraw/zinc/86/60/86/570866086.db2.gz	UERKZMSZVPCCPY-OAHLLOKOSA-N	1	1	388.855	3.953	50	5		GHBAMO
C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C1	ZINC000032930074	570943645	/nfs/dbraw/zinc/94/36/45/570943645.db2.gz	NDZNXQMKDJZLHF-QGZVFWFLSA-N	1	1	381.476	3.686	50	5		GHBAMO
C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000032930739	570944126	/nfs/dbraw/zinc/94/41/26/570944126.db2.gz	GJJMLHVIONNBDD-KRWDZBQOSA-N	1	1	397.475	3.664	50	5		GHBAMO
CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000006638047	570512003	/nfs/dbraw/zinc/51/20/03/570512003.db2.gz	RBZKUXQAQXFMOO-UHFFFAOYSA-N	1	1	377.828	3.717	50	5		GHBAMO
CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000006638047	570512008	/nfs/dbraw/zinc/51/20/08/570512008.db2.gz	RBZKUXQAQXFMOO-UHFFFAOYSA-N	1	1	377.828	3.717	50	5		GHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1cccs1	ZINC000252453057	570958440	/nfs/dbraw/zinc/95/84/40/570958440.db2.gz	YYRDYZJCKOOSHC-DOMZBBRYSA-N	1	1	375.450	3.829	50	5		GHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1cccs1	ZINC000252453057	570958443	/nfs/dbraw/zinc/95/84/43/570958443.db2.gz	YYRDYZJCKOOSHC-DOMZBBRYSA-N	1	1	375.450	3.829	50	5		GHBAMO
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CCOc2ccccc2)CC1	ZINC000013039978	899069845	/nfs/dbraw/zinc/06/98/45/899069845.db2.gz	YOFPVESWTBMYBQ-UHFFFAOYSA-N	1	1	395.381	3.815	50	5		GHBAMO
O=C(CC[N@H+]1CCSC[C@@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000096012953	208253243	/nfs/dbraw/zinc/25/32/43/208253243.db2.gz	VVFHFPQUHORULT-GOSISDBHSA-N	1	1	389.452	3.853	50	5		GHBAMO
O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1	ZINC000047996056	570216714	/nfs/dbraw/zinc/21/67/14/570216714.db2.gz	ODKKPJCARWDCLF-CQSZACIVSA-N	1	1	377.404	3.923	50	5		GHBAMO
C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1	ZINC000032930259	570942105	/nfs/dbraw/zinc/94/21/05/570942105.db2.gz	NNFAXAGSORMCLW-KRWDZBQOSA-N	1	1	397.475	3.664	50	5		GHBAMO
COc1ccccc1NC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000079059096	846025818	/nfs/dbraw/zinc/02/58/18/846025818.db2.gz	RBVFNEGHTUIWOQ-HNNXBMFYSA-N	1	1	398.463	3.507	50	5		GHBAMO
O=[N+]([O-])c1cc2c(cc1CN1CC[N@H+]3CCC[C@@H]3[C@@H]1C1CCCCC1)OCO2	ZINC000005032639	206585747	/nfs/dbraw/zinc/58/57/47/206585747.db2.gz	SQECFFDNMFIDTN-UTKZUKDTSA-N	1	1	387.480	3.552	50	5		GHBAMO
C[N@H+](Cc1ccc(Br)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000025809207	207307325	/nfs/dbraw/zinc/30/73/25/207307325.db2.gz	HDPPVGFTSMFFFF-UHFFFAOYSA-N	1	1	393.237	3.856	50	5		GHBAMO
C[N@@H+](Cc1ccc(Br)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000025809207	207307328	/nfs/dbraw/zinc/30/73/28/207307328.db2.gz	HDPPVGFTSMFFFF-UHFFFAOYSA-N	1	1	393.237	3.856	50	5		GHBAMO
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(OC(F)F)cc1	ZINC000016587327	221366345	/nfs/dbraw/zinc/36/63/45/221366345.db2.gz	VZWSAZUNABIPHM-GFCCVEGCSA-N	1	1	379.363	3.655	50	5		GHBAMO
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccc(OC(F)F)cc1	ZINC000016587327	221366348	/nfs/dbraw/zinc/36/63/48/221366348.db2.gz	VZWSAZUNABIPHM-GFCCVEGCSA-N	1	1	379.363	3.655	50	5		GHBAMO
Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1[N+](=O)[O-]	ZINC000004747594	570959510	/nfs/dbraw/zinc/95/95/10/570959510.db2.gz	RBRVSDNHVAHLIX-UHFFFAOYSA-N	1	1	388.855	3.561	50	5		GHBAMO
CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000040152982	856685211	/nfs/dbraw/zinc/68/52/11/856685211.db2.gz	IWZLKNXJANLWLA-IBGZPJMESA-N	1	1	383.452	3.508	50	5		GHBAMO
C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)COc2ccccc2[N+](=O)[O-])C1	ZINC000036393636	206795566	/nfs/dbraw/zinc/79/55/66/206795566.db2.gz	VKIUHIUNSLGJGE-KRWDZBQOSA-N	1	1	397.475	3.522	50	5		GHBAMO
Cc1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C)CC1	ZINC000004858373	570348130	/nfs/dbraw/zinc/34/81/30/570348130.db2.gz	XDWINHYRGGWYEW-UHFFFAOYSA-N	1	1	388.855	3.561	50	5		GHBAMO
CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1	ZINC000004556331	570882943	/nfs/dbraw/zinc/88/29/43/570882943.db2.gz	JUQMNLRCYBZEJW-SBSDFTTDSA-N	1	1	384.461	3.804	50	5		GHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1Cl	ZINC000012600454	570886265	/nfs/dbraw/zinc/88/62/65/570886265.db2.gz	HGCQVEMMANWOSF-VXGBXAGGSA-N	1	1	377.828	3.935	50	5		GHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1cccs1	ZINC000008320642	856114320	/nfs/dbraw/zinc/11/43/20/856114320.db2.gz	YYRDYZJCKOOSHC-IUODEOHRSA-N	1	1	375.450	3.829	50	5		GHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1cccs1	ZINC000008320642	856114324	/nfs/dbraw/zinc/11/43/24/856114324.db2.gz	YYRDYZJCKOOSHC-IUODEOHRSA-N	1	1	375.450	3.829	50	5		GHBAMO
COc1cc(NC(=O)O[C@H]2CCN3Cc4ccccc4[NH+]=C23)c(C)cc1[N+](=O)[O-]	ZINC000005388612	570578878	/nfs/dbraw/zinc/57/88/78/570578878.db2.gz	LWVXWGFPAUTRAF-KRWDZBQOSA-N	1	1	396.403	3.778	50	5		GHBAMO
COc1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])cc1OC	ZINC000058440407	900912744	/nfs/dbraw/zinc/91/27/44/900912744.db2.gz	IAPONCHHDBZGNP-IBGZPJMESA-N	1	1	385.464	3.539	50	5		GHBAMO
Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21	ZINC000020893138	210366534	/nfs/dbraw/zinc/36/65/34/210366534.db2.gz	YGLFXKHSTTUCDC-UHFFFAOYSA-N	1	1	393.447	3.720	50	5		GHBAMO
O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc3ccccc3c2)CC1	ZINC000019782466	210295372	/nfs/dbraw/zinc/29/53/72/210295372.db2.gz	COUUXKSIARJETR-UHFFFAOYSA-N	1	1	375.428	3.706	50	5		GHBAMO
CN1CCC([N@@H+](C)C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)c2ccccc2)CC1	ZINC000058147822	900905804	/nfs/dbraw/zinc/90/58/04/900905804.db2.gz	RHHGXRMBCPCNMK-OAQYLSRUSA-N	1	1	386.471	3.913	50	5		GHBAMO
CN(C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1)C1CC[NH+](C)CC1	ZINC000058147822	900905815	/nfs/dbraw/zinc/90/58/15/900905815.db2.gz	RHHGXRMBCPCNMK-OAQYLSRUSA-N	1	1	386.471	3.913	50	5		GHBAMO
Cc1nc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(N(C)C)[nH+]1	ZINC000015838345	210173450	/nfs/dbraw/zinc/17/34/50/210173450.db2.gz	PJZHBWFLXWZZSV-UHFFFAOYSA-N	1	1	392.419	3.755	50	5		GHBAMO
Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)[nH+]1	ZINC000015838345	210173449	/nfs/dbraw/zinc/17/34/49/210173449.db2.gz	PJZHBWFLXWZZSV-UHFFFAOYSA-N	1	1	392.419	3.755	50	5		GHBAMO
O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1cccc([N+](=O)[O-])c1	ZINC000010139833	209320949	/nfs/dbraw/zinc/32/09/49/209320949.db2.gz	ZLYVQEXBKYSCOL-UHFFFAOYSA-N	1	1	378.432	3.894	50	5		GHBAMO
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000170609572	570866031	/nfs/dbraw/zinc/86/60/31/570866031.db2.gz	UERKZMSZVPCCPY-HNNXBMFYSA-N	1	1	388.855	3.953	50	5		GHBAMO
Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000020893140	210367384	/nfs/dbraw/zinc/36/73/84/210367384.db2.gz	YWIDJDUDDRWFMJ-UHFFFAOYSA-N	1	1	393.447	3.720	50	5		GHBAMO
C[N@@H+](Cc1ccc(C(=O)NCC(F)(F)F)cc1)Cc1ccc([N+](=O)[O-])cc1	ZINC000026154911	570312485	/nfs/dbraw/zinc/31/24/85/570312485.db2.gz	CDTMNFDKJVSYNP-UHFFFAOYSA-N	1	1	381.354	3.519	50	5		GHBAMO
O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000066325916	136164406	/nfs/dbraw/zinc/16/44/06/136164406.db2.gz	YCSTXMIJSXRRHQ-UHFFFAOYSA-N	1	1	376.254	3.680	50	5		GHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccsc1	ZINC000040154246	856684782	/nfs/dbraw/zinc/68/47/82/856684782.db2.gz	SZDJVPBTWFIMOL-INIZCTEOSA-N	1	1	375.450	3.831	50	5		GHBAMO
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(OC(F)F)cc1	ZINC000016587328	210191860	/nfs/dbraw/zinc/19/18/60/210191860.db2.gz	VZWSAZUNABIPHM-LBPRGKRZSA-N	1	1	379.363	3.655	50	5		GHBAMO
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccc(OC(F)F)cc1	ZINC000016587328	210191863	/nfs/dbraw/zinc/19/18/63/210191863.db2.gz	VZWSAZUNABIPHM-LBPRGKRZSA-N	1	1	379.363	3.655	50	5		GHBAMO
CSc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1[N+](=O)[O-]	ZINC000003342218	862352720	/nfs/dbraw/zinc/35/27/20/862352720.db2.gz	LZLQMNKHNYHVJB-INIZCTEOSA-N	1	1	389.477	3.867	50	5		GHBAMO
C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCOc1ccc(F)cc1	ZINC000015101611	210151986	/nfs/dbraw/zinc/15/19/86/210151986.db2.gz	SNKXTQQHIKNINH-ZDUSSCGKSA-N	1	1	386.383	3.856	50	5		GHBAMO
C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCOc1ccc(F)cc1	ZINC000015101611	210151988	/nfs/dbraw/zinc/15/19/88/210151988.db2.gz	SNKXTQQHIKNINH-ZDUSSCGKSA-N	1	1	386.383	3.856	50	5		GHBAMO
COc1ccc2c(C)cc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[nH+]c2c1	ZINC000004982161	570389655	/nfs/dbraw/zinc/38/96/55/570389655.db2.gz	FVNKGRYTPSBNMN-UHFFFAOYSA-N	1	1	378.432	3.787	50	5		GHBAMO
CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)cc1	ZINC000013322785	210057593	/nfs/dbraw/zinc/05/75/93/210057593.db2.gz	ZQNGXQHVPBKYEU-UHFFFAOYSA-N	1	1	398.463	3.516	50	5		GHBAMO
C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1	ZINC000023732763	570330423	/nfs/dbraw/zinc/33/04/23/570330423.db2.gz	DANWQZKDYAGLGE-CYBMUJFWSA-N	1	1	380.370	3.892	50	5		GHBAMO
C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl	ZINC000012747213	570990295	/nfs/dbraw/zinc/99/02/95/570990295.db2.gz	AARCRSVAFOCOAU-MRXNPFEDSA-N	1	1	382.247	3.934	50	5		GHBAMO
CC[N@@H+](CCC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1)CC1CC1	ZINC000095458053	211242307	/nfs/dbraw/zinc/24/23/07/211242307.db2.gz	ZDTSPOPOAZCIFF-UHFFFAOYSA-N	1	1	377.514	3.642	50	5		GHBAMO
Cc1ccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)cc1Cl	ZINC000004706903	570842830	/nfs/dbraw/zinc/84/28/30/570842830.db2.gz	DYHUIOLNMLRGRB-UHFFFAOYSA-N	1	1	388.855	3.561	50	5		GHBAMO
O=C(C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1)Nc1ccccc1	ZINC000008980950	856688225	/nfs/dbraw/zinc/68/82/25/856688225.db2.gz	MHJCZYBDNUQDLX-UHFFFAOYSA-N	1	1	388.855	3.763	50	5		GHBAMO
O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000012555601	570858813	/nfs/dbraw/zinc/85/88/13/570858813.db2.gz	ZQMIVJSBZOEXBG-IBGZPJMESA-N	1	1	398.463	3.719	50	5		GHBAMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1	ZINC000008092484	863067285	/nfs/dbraw/zinc/06/72/85/863067285.db2.gz	PXJDLVCINZBMJO-UHFFFAOYSA-N	1	1	381.354	3.993	50	5		GHBAMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1	ZINC000008092484	863067298	/nfs/dbraw/zinc/06/72/98/863067298.db2.gz	PXJDLVCINZBMJO-UHFFFAOYSA-N	1	1	381.354	3.993	50	5		GHBAMO
C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1	ZINC000006857672	570649866	/nfs/dbraw/zinc/64/98/66/570649866.db2.gz	OVABRADXKLONGY-CQSZACIVSA-N	1	1	378.841	3.727	50	5		GHBAMO
C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1	ZINC000006857672	570649868	/nfs/dbraw/zinc/64/98/68/570649868.db2.gz	OVABRADXKLONGY-CQSZACIVSA-N	1	1	378.841	3.727	50	5		GHBAMO
COc1cc(C[N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)ccc1OC(F)F	ZINC000022312066	900198231	/nfs/dbraw/zinc/19/82/31/900198231.db2.gz	TZSMOIQPQUZJFV-UHFFFAOYSA-N	1	1	392.362	3.644	50	5		GHBAMO
COc1cc(C[N@@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)ccc1OC(F)F	ZINC000022312066	900198238	/nfs/dbraw/zinc/19/82/38/900198238.db2.gz	TZSMOIQPQUZJFV-UHFFFAOYSA-N	1	1	392.362	3.644	50	5		GHBAMO
CN1CCC([N@@H+](C)C[C@H](Nc2ccc([N+](=O)[O-])cc2F)c2ccccc2)CC1	ZINC000058147815	900905341	/nfs/dbraw/zinc/90/53/41/900905341.db2.gz	RHHGXRMBCPCNMK-NRFANRHFSA-N	1	1	386.471	3.913	50	5		GHBAMO
CN(C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1)C1CC[NH+](C)CC1	ZINC000058147815	900905352	/nfs/dbraw/zinc/90/53/52/900905352.db2.gz	RHHGXRMBCPCNMK-NRFANRHFSA-N	1	1	386.471	3.913	50	5		GHBAMO
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)/C=C\c1cccc([N+](=O)[O-])c1	ZINC000096835532	915080897	/nfs/dbraw/zinc/08/08/97/915080897.db2.gz	HIKQRUATTDDDTQ-KTMUDYLSSA-N	1	1	377.444	3.751	50	5		GHBAMO
O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000089834936	211185425	/nfs/dbraw/zinc/18/54/25/211185425.db2.gz	CHOGZYWRMVUPKP-IBGZPJMESA-N	1	1	394.475	3.564	50	5		GHBAMO
COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccsc2)c([N+](=O)[O-])c1	ZINC000048252745	570226891	/nfs/dbraw/zinc/22/68/91/570226891.db2.gz	ULBUZDUNSYWQAI-INIZCTEOSA-N	1	1	375.450	3.831	50	5		GHBAMO
Cc1ccc([N+](=O)[O-])c(OCCCCN2CC[NH+](Cc3ccccc3)CC2)c1	ZINC000004832486	570305802	/nfs/dbraw/zinc/30/58/02/570305802.db2.gz	CEEAVIGKIFLXIA-UHFFFAOYSA-N	1	1	383.492	3.880	50	5		GHBAMO
Cc1cc(OCCCCN2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-]	ZINC000004832745	570305954	/nfs/dbraw/zinc/30/59/54/570305954.db2.gz	OZPAMOVJGIQDSE-UHFFFAOYSA-N	1	1	383.492	3.880	50	5		GHBAMO
O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000089834935	211185773	/nfs/dbraw/zinc/18/57/73/211185773.db2.gz	CHOGZYWRMVUPKP-LJQANCHMSA-N	1	1	394.475	3.564	50	5		GHBAMO
C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)COc2ccccc2[N+](=O)[O-])C1	ZINC000036393635	570678235	/nfs/dbraw/zinc/67/82/35/570678235.db2.gz	VKIUHIUNSLGJGE-QGZVFWFLSA-N	1	1	397.475	3.522	50	5		GHBAMO
C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000036396570	570680960	/nfs/dbraw/zinc/68/09/60/570680960.db2.gz	LWXVJDVTSAMLLA-KRWDZBQOSA-N	1	1	381.476	3.828	50	5		GHBAMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000036396569	570681048	/nfs/dbraw/zinc/68/10/48/570681048.db2.gz	LWXVJDVTSAMLLA-QGZVFWFLSA-N	1	1	381.476	3.828	50	5		GHBAMO
COc1ccccc1NC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000079059103	846026179	/nfs/dbraw/zinc/02/61/79/846026179.db2.gz	RBVFNEGHTUIWOQ-OAHLLOKOSA-N	1	1	398.463	3.507	50	5		GHBAMO
CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1	ZINC000225565286	861187536	/nfs/dbraw/zinc/18/75/36/861187536.db2.gz	CCPDOKMTHYSRIZ-UHFFFAOYSA-N	1	1	387.461	3.704	50	5		GHBAMO
Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)[nH+]1	ZINC000015838343	210172716	/nfs/dbraw/zinc/17/27/16/210172716.db2.gz	NPTWUDVEHIFVGN-UHFFFAOYSA-N	1	1	392.419	3.755	50	5		GHBAMO
Cc1nc(Nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc(N(C)C)[nH+]1	ZINC000015838343	210172719	/nfs/dbraw/zinc/17/27/19/210172719.db2.gz	NPTWUDVEHIFVGN-UHFFFAOYSA-N	1	1	392.419	3.755	50	5		GHBAMO
O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC(c4nc5ccccc5o4)CC3)c2c1	ZINC000023990791	570341237	/nfs/dbraw/zinc/34/12/37/570341237.db2.gz	VEUDGWAPBHTZBN-UHFFFAOYSA-N	1	1	377.404	3.923	50	5		GHBAMO
COc1ccc(-c2cc(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)on2)cc1	ZINC000057471002	862112091	/nfs/dbraw/zinc/11/20/91/862112091.db2.gz	DNHDHRNCFZVQHS-UHFFFAOYSA-N	1	1	394.431	3.581	50	5		GHBAMO
CSc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1[N+](=O)[O-]	ZINC000003342221	862353073	/nfs/dbraw/zinc/35/30/73/862353073.db2.gz	LZLQMNKHNYHVJB-MRXNPFEDSA-N	1	1	389.477	3.867	50	5		GHBAMO
CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000040152981	856685054	/nfs/dbraw/zinc/68/50/54/856685054.db2.gz	IWZLKNXJANLWLA-LJQANCHMSA-N	1	1	383.452	3.508	50	5		GHBAMO
Cc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2)nc2c3ccccc3oc(=O)c12	ZINC000009608907	221087350	/nfs/dbraw/zinc/08/73/50/221087350.db2.gz	DHUGRHATCVQTBT-UHFFFAOYSA-N	1	1	387.439	3.720	50	5		GHBAMO
Cc1cc(NC(=O)C[N@H+](C)Cc2ccccc2)nc2c3ccccc3oc(=O)c12	ZINC000009608907	221087353	/nfs/dbraw/zinc/08/73/53/221087353.db2.gz	DHUGRHATCVQTBT-UHFFFAOYSA-N	1	1	387.439	3.720	50	5		GHBAMO
Cc1c(NC(=O)C[N@@H+](C)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-]	ZINC000006941914	570715071	/nfs/dbraw/zinc/71/50/71/570715071.db2.gz	IYAMDSXKVWLCKK-UHFFFAOYSA-N	1	1	392.253	3.736	50	5		GHBAMO
Cc1c(NC(=O)C[N@H+](C)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-]	ZINC000006941914	570715074	/nfs/dbraw/zinc/71/50/74/570715074.db2.gz	IYAMDSXKVWLCKK-UHFFFAOYSA-N	1	1	392.253	3.736	50	5		GHBAMO
O=[N+]([O-])c1cc2c(cc1CN1CC[N@H+]3CCC[C@H]3[C@H]1C1CCCCC1)OCO2	ZINC000239412384	570829897	/nfs/dbraw/zinc/82/98/97/570829897.db2.gz	SQECFFDNMFIDTN-LAUBAEHRSA-N	1	1	387.480	3.552	50	5		GHBAMO
Cc1cc2oc(=O)cc(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2cc1C	ZINC000058160172	136154679	/nfs/dbraw/zinc/15/46/79/136154679.db2.gz	PTXGVQHLAZDYQH-UHFFFAOYSA-N	1	1	393.443	3.640	50	5		GHBAMO
COc1cc(OC)c(C2=CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1	ZINC000057731310	222036395	/nfs/dbraw/zinc/03/63/95/222036395.db2.gz	AMDKJXGENUUZOL-UHFFFAOYSA-N	1	1	384.432	3.910	50	5		GHBAMO
COc1cc(OC)c(C2=CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1	ZINC000057731310	222036390	/nfs/dbraw/zinc/03/63/90/222036390.db2.gz	AMDKJXGENUUZOL-UHFFFAOYSA-N	1	1	384.432	3.910	50	5		GHBAMO
CC(C)[NH+]1CCN(C(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)CC1	ZINC000241588095	571038138	/nfs/dbraw/zinc/03/81/38/571038138.db2.gz	OZQMDUIWDHTFOD-UHFFFAOYSA-N	1	1	385.489	3.912	50	5		GHBAMO
Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)cc1[N+](=O)[O-]	ZINC000095455180	860588642	/nfs/dbraw/zinc/58/86/42/860588642.db2.gz	MCENJDMYCZEALG-UHFFFAOYSA-N	1	1	389.477	3.676	50	5		GHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1Cl	ZINC000057315545	222030493	/nfs/dbraw/zinc/03/04/93/222030493.db2.gz	HGCQVEMMANWOSF-NWDGAFQWSA-N	1	1	377.828	3.935	50	5		GHBAMO
O=C(CC[N@H+]1CCSC[C@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000096012952	222370457	/nfs/dbraw/zinc/37/04/57/222370457.db2.gz	VVFHFPQUHORULT-SFHVURJKSA-N	1	1	389.452	3.853	50	5		GHBAMO
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1	ZINC000048310355	570233014	/nfs/dbraw/zinc/23/30/14/570233014.db2.gz	OCANHHDRTPSQPM-IYBDPMFKSA-N	1	1	396.491	3.706	50	5		GHBAMO
C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)CSc1ccc([N+](=O)[O-])cc1	ZINC000089761682	570911636	/nfs/dbraw/zinc/91/16/36/570911636.db2.gz	AHXGAVVJASPHFE-UHFFFAOYSA-N	1	1	387.505	3.714	50	5		GHBAMO
O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000032674839	570728709	/nfs/dbraw/zinc/72/87/09/570728709.db2.gz	GNZPTJVYMZGAJB-MRXNPFEDSA-N	1	1	381.457	3.814	50	5		GHBAMO
O=[N+]([O-])c1ccc(C[NH+]2CCC(N3CCN(c4ccccc4F)CC3)CC2)cc1	ZINC000004712142	570855853	/nfs/dbraw/zinc/85/58/53/570855853.db2.gz	APCKMURWLMDXAR-UHFFFAOYSA-N	1	1	398.482	3.521	50	5		GHBAMO
O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000032674840	570728677	/nfs/dbraw/zinc/72/86/77/570728677.db2.gz	GNZPTJVYMZGAJB-INIZCTEOSA-N	1	1	381.457	3.814	50	5		GHBAMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000252675679	570481099	/nfs/dbraw/zinc/48/10/99/570481099.db2.gz	USQDQEIRSRCUKV-OXJNMPFZSA-N	1	1	382.464	3.969	50	5		GHBAMO
C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1ccccc1	ZINC000012486862	570821366	/nfs/dbraw/zinc/82/13/66/570821366.db2.gz	LJGGZZHRFLHXGE-UHFFFAOYSA-N	1	1	382.445	3.789	50	5		GHBAMO
C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1ccccc1	ZINC000012486862	570821368	/nfs/dbraw/zinc/82/13/68/570821368.db2.gz	LJGGZZHRFLHXGE-UHFFFAOYSA-N	1	1	382.445	3.789	50	5		GHBAMO
CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1	ZINC000004556332	570882884	/nfs/dbraw/zinc/88/28/84/570882884.db2.gz	JUQMNLRCYBZEJW-KQQSKNTNSA-N	1	1	384.461	3.804	50	5		GHBAMO
C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1	ZINC000032930254	570942181	/nfs/dbraw/zinc/94/21/81/570942181.db2.gz	DBIJJPXPURXJCN-QGZVFWFLSA-N	1	1	381.476	3.828	50	5		GHBAMO
CC[NH+]1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1	ZINC000252536165	570990655	/nfs/dbraw/zinc/99/06/55/570990655.db2.gz	HSIAIJYOBVXWCX-UHFFFAOYSA-N	1	1	385.489	3.832	50	5		GHBAMO
C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCOc1ccc(F)cc1	ZINC000015101610	221333051	/nfs/dbraw/zinc/33/30/51/221333051.db2.gz	SNKXTQQHIKNINH-CYBMUJFWSA-N	1	1	386.383	3.856	50	5		GHBAMO
C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCOc1ccc(F)cc1	ZINC000015101610	221333054	/nfs/dbraw/zinc/33/30/54/221333054.db2.gz	SNKXTQQHIKNINH-CYBMUJFWSA-N	1	1	386.383	3.856	50	5		GHBAMO
CCc1ccc2c(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc(=O)oc2c1	ZINC000058160381	136154645	/nfs/dbraw/zinc/15/46/45/136154645.db2.gz	WNIWZROLVMIRAQ-UHFFFAOYSA-N	1	1	393.443	3.586	50	5		GHBAMO
C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1	ZINC000006857626	570649430	/nfs/dbraw/zinc/64/94/30/570649430.db2.gz	OVABRADXKLONGY-AWEZNQCLSA-N	1	1	378.841	3.727	50	5		GHBAMO
C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1	ZINC000006857626	570649433	/nfs/dbraw/zinc/64/94/33/570649433.db2.gz	OVABRADXKLONGY-AWEZNQCLSA-N	1	1	378.841	3.727	50	5		GHBAMO
CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])CC1	ZINC000004794008	570991705	/nfs/dbraw/zinc/99/17/05/570991705.db2.gz	QMNYTIQXBHOVAR-UHFFFAOYSA-N	1	1	388.855	3.642	50	5		GHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccsc1	ZINC000040154245	856684860	/nfs/dbraw/zinc/68/48/60/856684860.db2.gz	SZDJVPBTWFIMOL-MRXNPFEDSA-N	1	1	375.450	3.831	50	5		GHBAMO
Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)[nH+]1	ZINC000015838341	221346465	/nfs/dbraw/zinc/34/64/65/221346465.db2.gz	YVSAZYZONOHKLF-UHFFFAOYSA-N	1	1	392.419	3.755	50	5		GHBAMO
Cc1nc(Nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc(N(C)C)[nH+]1	ZINC000015838341	221346470	/nfs/dbraw/zinc/34/64/70/221346470.db2.gz	YVSAZYZONOHKLF-UHFFFAOYSA-N	1	1	392.419	3.755	50	5		GHBAMO
O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000089821221	570916190	/nfs/dbraw/zinc/91/61/90/570916190.db2.gz	KVUBJZBPIUBBBB-DOTOQJQBSA-N	1	1	396.365	3.800	50	5		GHBAMO
O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000089821221	570916191	/nfs/dbraw/zinc/91/61/91/570916191.db2.gz	KVUBJZBPIUBBBB-DOTOQJQBSA-N	1	1	396.365	3.800	50	5		GHBAMO
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000012555600	221206554	/nfs/dbraw/zinc/20/65/54/221206554.db2.gz	ZQMIVJSBZOEXBG-LJQANCHMSA-N	1	1	398.463	3.719	50	5		GHBAMO
O=[N+]([O-])c1cccc(OCCC[NH+]2CCN(c3nsc4ccccc43)CC2)c1	ZINC000013725845	221284418	/nfs/dbraw/zinc/28/44/18/221284418.db2.gz	BGNKPNCIAGNKAT-UHFFFAOYSA-N	1	1	398.488	3.796	50	5		GHBAMO
Cc1ccc2c(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc(=O)oc2c1C	ZINC000058160149	136154650	/nfs/dbraw/zinc/15/46/50/136154650.db2.gz	HYJDPJBXESOUBQ-UHFFFAOYSA-N	1	1	393.443	3.640	50	5		GHBAMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21	ZINC000072308761	222223720	/nfs/dbraw/zinc/22/37/20/222223720.db2.gz	RYPYNJAUDVFVOP-OAQYLSRUSA-N	1	1	397.475	3.604	50	5		GHBAMO
COc1ccc([C@@H]2CCC[N@@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000048343187	570239943	/nfs/dbraw/zinc/23/99/43/570239943.db2.gz	KSJDNVZZTYUVGJ-IBGZPJMESA-N	1	1	379.420	3.657	50	5		GHBAMO
COc1ccc([C@@H]2CCC[N@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000048343187	570239946	/nfs/dbraw/zinc/23/99/46/570239946.db2.gz	KSJDNVZZTYUVGJ-IBGZPJMESA-N	1	1	379.420	3.657	50	5		GHBAMO
COc1cc(C[N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)ccc1OC(F)F	ZINC000023990781	570341393	/nfs/dbraw/zinc/34/13/93/570341393.db2.gz	JZMPDFYLVUCGDJ-UHFFFAOYSA-N	1	1	392.362	3.644	50	5		GHBAMO
COc1cc(C[N@@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)ccc1OC(F)F	ZINC000023990781	570341398	/nfs/dbraw/zinc/34/13/98/570341398.db2.gz	JZMPDFYLVUCGDJ-UHFFFAOYSA-N	1	1	392.362	3.644	50	5		GHBAMO
Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CSc1ccc([N+](=O)[O-])cc1	ZINC000240551414	570879441	/nfs/dbraw/zinc/87/94/41/570879441.db2.gz	GTMNTSZVRMQZQC-UYAOXDASSA-N	1	1	397.500	3.830	50	5		GHBAMO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1	ZINC000002104702	570946666	/nfs/dbraw/zinc/94/66/66/570946666.db2.gz	RHYOWQKYWVLEIX-JKSUJKDBSA-N	1	1	391.427	3.636	50	5	biogenic	GHBAMO
O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000107534049	570975051	/nfs/dbraw/zinc/97/50/51/570975051.db2.gz	KVUBJZBPIUBBBB-RDJZCZTQSA-N	1	1	396.365	3.800	50	5		GHBAMO
O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000107534049	570975054	/nfs/dbraw/zinc/97/50/54/570975054.db2.gz	KVUBJZBPIUBBBB-RDJZCZTQSA-N	1	1	396.365	3.800	50	5		GHBAMO
COc1cccc(N(C(C)=O)C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1	ZINC000034675655	570678839	/nfs/dbraw/zinc/67/88/39/570678839.db2.gz	HLMNGZJWGZAQQO-UHFFFAOYSA-N	1	1	383.448	3.621	50	5		GHBAMO
COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccsc2)c([N+](=O)[O-])c1	ZINC000048252742	570226923	/nfs/dbraw/zinc/22/69/23/570226923.db2.gz	ULBUZDUNSYWQAI-MRXNPFEDSA-N	1	1	375.450	3.831	50	5		GHBAMO
COC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C(C)C	ZINC000052507967	570751076	/nfs/dbraw/zinc/75/10/76/570751076.db2.gz	AHAURRPMZVUDDQ-NRFANRHFSA-N	1	1	397.475	3.728	50	5		GHBAMO
Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)cc1Cl	ZINC000004846204	842675798	/nfs/dbraw/zinc/67/57/98/842675798.db2.gz	DLSMYQNKUCUOEP-UHFFFAOYSA-N	1	1	388.855	3.561	50	5		GHBAMO
Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000020893137	900179559	/nfs/dbraw/zinc/17/95/59/900179559.db2.gz	RRFABQXQTHGPCA-UHFFFAOYSA-N	1	1	393.447	3.720	50	5		GHBAMO
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000015906449	221352016	/nfs/dbraw/zinc/35/20/16/221352016.db2.gz	HIKQRUATTDDDTQ-LACOWATDSA-N	1	1	377.444	3.751	50	5		GHBAMO
C[N@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000006852278	570648985	/nfs/dbraw/zinc/64/89/85/570648985.db2.gz	NIWRWBSSLGCLMI-UHFFFAOYSA-N	1	1	398.246	3.851	50	5		GHBAMO
C[N@@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000006852278	570648986	/nfs/dbraw/zinc/64/89/86/570648986.db2.gz	NIWRWBSSLGCLMI-UHFFFAOYSA-N	1	1	398.246	3.851	50	5		GHBAMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000032930738	570944217	/nfs/dbraw/zinc/94/42/17/570944217.db2.gz	GJJMLHVIONNBDD-QGZVFWFLSA-N	1	1	397.475	3.664	50	5		GHBAMO
C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000026712666	570425819	/nfs/dbraw/zinc/42/58/19/570425819.db2.gz	WUZBLURWLFCKKE-CQSZACIVSA-N	1	1	385.247	3.773	50	5		GHBAMO
C[N@H+](Cc1cccc(Cl)c1Cl)C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000026712666	570425822	/nfs/dbraw/zinc/42/58/22/570425822.db2.gz	WUZBLURWLFCKKE-CQSZACIVSA-N	1	1	385.247	3.773	50	5		GHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(Cl)c1	ZINC000007267333	570822587	/nfs/dbraw/zinc/82/25/87/570822587.db2.gz	KAHPOFBKKKJUNT-LBPRGKRZSA-N	1	1	377.828	3.716	50	5		GHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1	ZINC000007267333	570822589	/nfs/dbraw/zinc/82/25/89/570822589.db2.gz	KAHPOFBKKKJUNT-LBPRGKRZSA-N	1	1	377.828	3.716	50	5		GHBAMO
COc1ccc(C[N@H+]2CCCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cc1	ZINC000032916278	570927974	/nfs/dbraw/zinc/92/79/74/570927974.db2.gz	IQURBKGTJUFLHQ-UHFFFAOYSA-N	1	1	392.459	3.864	50	5		GHBAMO