smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000229870288	556030986	/nfs/dbraw/zinc/03/09/86/556030986.db2.gz	WHVDSSFOLVXIRF-PWRODBHTSA-N	0	3	433.395	3.785	50	5		IHBAHN
CC1CCN(CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1	ZINC000048288073	557053591	/nfs/dbraw/zinc/05/35/91/557053591.db2.gz	MPWLTIIFSVLDFX-UHFFFAOYSA-N	0	3	447.539	3.838	50	5		IHBAHN
CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H]2CCCN(CC)C2)c([N+](=O)[O-])c1	ZINC000048325716	557066196	/nfs/dbraw/zinc/06/61/96/557066196.db2.gz	GRZWTUNWXKBIEY-QGZVFWFLSA-N	0	3	432.546	3.706	50	5		IHBAHN
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102737519	557379970	/nfs/dbraw/zinc/37/99/70/557379970.db2.gz	KQVZEZIPDVBIAL-YPAWHYETSA-N	0	3	429.432	3.954	50	5		IHBAHN
COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(Cn2cc([N+](=O)[O-])cn2)c1	ZINC000032109695	568781478	/nfs/dbraw/zinc/78/14/78/568781478.db2.gz	KKCYHNHNUZOMAW-JOCHJYFZSA-N	0	3	433.468	3.573	50	5	biogenic	IHBAHN
COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000137393474	568821878	/nfs/dbraw/zinc/82/18/78/568821878.db2.gz	SJZVHCSHLUOAHU-FDFHNCONSA-N	0	3	445.431	3.655	50	5		IHBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000011582549	569302584	/nfs/dbraw/zinc/30/25/84/569302584.db2.gz	QMIFMAOWVCPMSZ-NJDAHSKKSA-N	0	3	433.395	3.785	50	5		IHBAHN
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)c1	ZINC000226983732	569430412	/nfs/dbraw/zinc/43/04/12/569430412.db2.gz	SCCPQDAGFFQDBE-BHDDXSALSA-N	0	3	445.431	3.655	50	5		IHBAHN
Cc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C1=O	ZINC000013776282	556729457	/nfs/dbraw/zinc/72/94/57/556729457.db2.gz	LYHURZVPPLFWJW-FDFHNCONSA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000018099609	557236947	/nfs/dbraw/zinc/23/69/47/557236947.db2.gz	MXBNLMMPMIDQOU-VSKRKVRLSA-N	0	3	429.432	3.954	50	5		IHBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000102730196	557370966	/nfs/dbraw/zinc/37/09/66/557370966.db2.gz	WHVDSSFOLVXIRF-PCCBWWKXSA-N	0	3	433.395	3.785	50	5		IHBAHN
Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)c1	ZINC000102734796	557372497	/nfs/dbraw/zinc/37/24/97/557372497.db2.gz	QCMIGTMWYPLPKM-BHDDXSALSA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)c1	ZINC000102734796	557372500	/nfs/dbraw/zinc/37/25/00/557372500.db2.gz	QCMIGTMWYPLPKM-BHDDXSALSA-N	0	3	429.432	3.954	50	5		IHBAHN
COCCN(C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1C)C(C)=O	ZINC000105050652	557474764	/nfs/dbraw/zinc/47/47/64/557474764.db2.gz	OXZHLFPYYRNLEK-URXFXBBRSA-N	0	3	425.529	3.614	50	5		IHBAHN
COc1ccc2c(c1)oc1c(c2=O)C(c2cccc([N+](=O)[O-])c2)N(c2cc(C)on2)C1=O	ZINC000009357771	569525654	/nfs/dbraw/zinc/52/56/54/569525654.db2.gz	ZJDXYCFPOPXYBV-IBGZPJMESA-N	0	3	433.376	3.756	50	5		IHBAHN
COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)c1	ZINC000018043381	557234291	/nfs/dbraw/zinc/23/42/91/557234291.db2.gz	SCCPQDAGFFQDBE-VSKRKVRLSA-N	0	3	445.431	3.655	50	5		IHBAHN
Cc1ccc(-c2nn(-c3cc(N4CCNCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc32)cc1	ZINC000008837850	132295690	/nfs/dbraw/zinc/29/56/90/132295690.db2.gz	WLVLTISZBVVAIG-UHFFFAOYSA-N	0	3	441.491	3.679	50	5		IHBAHN
COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O	ZINC000226257081	569417018	/nfs/dbraw/zinc/41/70/18/569417018.db2.gz	ZGJQSPINOPAOTC-BHIFYINESA-N	0	3	445.431	3.655	50	5		IHBAHN
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=S)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000003358626	569447756	/nfs/dbraw/zinc/44/77/56/569447756.db2.gz	LXBPRGBFEOMIHY-SJLPKXTDSA-N	0	3	444.944	3.879	50	5		IHBAHN
O=C(NC[C@H](c1cccs1)N1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000024871180	557173583	/nfs/dbraw/zinc/17/35/83/557173583.db2.gz	JYUYANMFTIUUHQ-HXUWFJFHSA-N	0	3	428.558	3.826	50	5		IHBAHN
Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	ZINC000102713459	557374358	/nfs/dbraw/zinc/37/43/58/557374358.db2.gz	IOSCYWBRIHXQPY-BHDDXSALSA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)C2ON1c1ccccc1	ZINC000102744749	557377457	/nfs/dbraw/zinc/37/74/57/557377457.db2.gz	NMDCUQHAPVTSMT-YPAWHYETSA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)c1	ZINC000239302805	569138802	/nfs/dbraw/zinc/13/88/02/569138802.db2.gz	FNORUDMBNCDKKE-BHIFYINESA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)c1	ZINC000239302805	569138804	/nfs/dbraw/zinc/13/88/04/569138804.db2.gz	FNORUDMBNCDKKE-BHIFYINESA-N	0	3	429.432	3.954	50	5		IHBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H](c1cccc2ccccc21)N1CCCC1	ZINC000010335664	569581119	/nfs/dbraw/zinc/58/11/19/569581119.db2.gz	GKNIJYWTSZEZCI-OAQYLSRUSA-N	0	3	425.510	3.863	50	5		IHBAHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1	ZINC000229869055	555995609	/nfs/dbraw/zinc/99/56/09/555995609.db2.gz	AYUSIIUDFYQHOF-BHDDXSALSA-N	0	3	429.432	3.954	50	5		IHBAHN
CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000011614688	557211127	/nfs/dbraw/zinc/21/11/27/557211127.db2.gz	CZOIWNFHIFITGG-LJQANCHMSA-N	0	3	441.871	3.852	50	5		IHBAHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1	ZINC000102739905	557380500	/nfs/dbraw/zinc/38/05/00/557380500.db2.gz	AYUSIIUDFYQHOF-BHIFYINESA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1	ZINC000229884439	557833513	/nfs/dbraw/zinc/83/35/13/557833513.db2.gz	XFLYLUWAQGFVEE-BHDDXSALSA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	ZINC000229884439	557833516	/nfs/dbraw/zinc/83/35/16/557833516.db2.gz	XFLYLUWAQGFVEE-BHDDXSALSA-N	0	3	429.432	3.954	50	5		IHBAHN
COc1ccc([C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])N2CCCCCC2)cc1	ZINC000027583101	569274013	/nfs/dbraw/zinc/27/40/13/569274013.db2.gz	BDDREQYGEXRCLC-OAQYLSRUSA-N	0	3	427.501	3.716	50	5		IHBAHN
COC(=O)[C@@H](C)CN(Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C1CC1	ZINC000096003604	569379169	/nfs/dbraw/zinc/37/91/69/569379169.db2.gz	WHTKNHPUNLAHFL-INIZCTEOSA-N	0	3	428.485	3.956	50	5		IHBAHN
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc([N+](=O)[O-])c1)N(CCCN(C)C)C3=O	ZINC000010233146	569579472	/nfs/dbraw/zinc/57/94/72/569579472.db2.gz	JOQUOMOKUYBJEZ-OAQYLSRUSA-N	0	3	435.480	3.815	50	5		IHBAHN
CC[N@@H+]1CCC[C@@H](Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])C1	ZINC000048325650	557066253	/nfs/dbraw/zinc/06/62/53/557066253.db2.gz	ZIJUAIFXZPKIBD-QGZVFWFLSA-N	0	3	432.546	3.909	50	5		IHBAHN
CC[N@H+]1CCC[C@@H](Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])C1	ZINC000048325650	557066254	/nfs/dbraw/zinc/06/62/54/557066254.db2.gz	ZIJUAIFXZPKIBD-QGZVFWFLSA-N	0	3	432.546	3.909	50	5		IHBAHN
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000101074524	557225116	/nfs/dbraw/zinc/22/51/16/557225116.db2.gz	MXBNLMMPMIDQOU-BDTNDASRSA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101091605	557245971	/nfs/dbraw/zinc/24/59/71/557245971.db2.gz	KQVZEZIPDVBIAL-VSKRKVRLSA-N	0	3	429.432	3.954	50	5		IHBAHN
COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)C3ON2c2ccccc2)c1	ZINC000102706921	557366766	/nfs/dbraw/zinc/36/67/66/557366766.db2.gz	KKWLEQOPCNKWOY-YPAWHYETSA-N	0	3	445.431	3.655	50	5		IHBAHN
COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000102754742	557383890	/nfs/dbraw/zinc/38/38/90/557383890.db2.gz	MOSFIMPGJSYNDM-YPAWHYETSA-N	0	3	445.431	3.655	50	5		IHBAHN
COCCN(C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1C)C(C)=O	ZINC000034740577	568737762	/nfs/dbraw/zinc/73/77/62/568737762.db2.gz	OXZHLFPYYRNLEK-QPPBQGQZSA-N	0	3	425.529	3.614	50	5		IHBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccccc1F	ZINC000227248727	569431913	/nfs/dbraw/zinc/43/19/13/569431913.db2.gz	FIFWEEJBBWAZQK-PCCBWWKXSA-N	0	3	433.395	3.785	50	5		IHBAHN
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=S)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000035529626	526214023	/nfs/dbraw/zinc/21/40/23/526214023.db2.gz	LXBPRGBFEOMIHY-AEFFLSMTSA-N	0	3	444.944	3.879	50	5		IHBAHN
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)C3ON2c2ccccc2)cc1	ZINC000017784497	557122251	/nfs/dbraw/zinc/12/22/51/557122251.db2.gz	MNUHBILPENDACX-VSKRKVRLSA-N	0	3	429.432	3.954	50	5		IHBAHN
CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000011614687	557211314	/nfs/dbraw/zinc/21/13/14/557211314.db2.gz	CZOIWNFHIFITGG-IBGZPJMESA-N	0	3	441.871	3.852	50	5		IHBAHN
COc1cc(/C=C/C(=O)NCCCN(C)Cc2ccccc2)c([N+](=O)[O-])cc1OC(F)F	ZINC000040043408	569483315	/nfs/dbraw/zinc/48/33/15/569483315.db2.gz	QAVHBKCSZDSORN-MDZDMXLPSA-N	0	3	449.454	3.856	50	5		IHBAHN
O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000009329623	569522968	/nfs/dbraw/zinc/52/29/68/569522968.db2.gz	BTYKVKZKPFZZEW-NJDAHSKKSA-N	0	3	433.395	3.785	50	5		IHBAHN
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000103002660	557415437	/nfs/dbraw/zinc/41/54/37/557415437.db2.gz	NCUNSLYYVYSWPP-BHDDXSALSA-N	0	3	445.431	3.655	50	5		IHBAHN
CCOC(=O)C1=C(CNC(C)(C)CC(C)(C)C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000012412634	562982043	/nfs/dbraw/zinc/98/20/43/562982043.db2.gz	VFEUQSFMTPCUMH-SFHVURJKSA-N	0	3	432.521	3.570	50	5		IHBAHN
COc1ccc([C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])N2CCCCCC2)cc1	ZINC000027583108	569274015	/nfs/dbraw/zinc/27/40/15/569274015.db2.gz	BDDREQYGEXRCLC-NRFANRHFSA-N	0	3	427.501	3.716	50	5		IHBAHN
O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1c1nncs1	ZINC000002401504	569299661	/nfs/dbraw/zinc/29/96/61/569299661.db2.gz	MTSBPDXKDSXNQA-OAHLLOKOSA-N	0	3	440.824	3.956	50	5		IHBAHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1	ZINC000245247172	569501162	/nfs/dbraw/zinc/50/11/62/569501162.db2.gz	QYGAIPNYDYKXHJ-YPAWHYETSA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O	ZINC000245255469	569501402	/nfs/dbraw/zinc/50/14/02/569501402.db2.gz	IOSCYWBRIHXQPY-BHIFYINESA-N	0	3	429.432	3.954	50	5		IHBAHN
COc1ccc([C@H](CNC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N(C)C)cc1	ZINC000009339319	536916178	/nfs/dbraw/zinc/91/61/78/536916178.db2.gz	GSBUKLWLEWWBEH-QFIPXVFZSA-N	0	3	426.517	3.626	50	5		IHBAHN
Cc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4)[C@@H]3C2=O)c1	ZINC000229929871	557834199	/nfs/dbraw/zinc/83/41/99/557834199.db2.gz	KVWRTGLPXOMTMP-BHDDXSALSA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1	ZINC000238950222	569137970	/nfs/dbraw/zinc/13/79/70/569137970.db2.gz	XFLYLUWAQGFVEE-YPAWHYETSA-N	0	3	429.432	3.954	50	5		IHBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000011582550	569302579	/nfs/dbraw/zinc/30/25/79/569302579.db2.gz	QMIFMAOWVCPMSZ-QHAWAJNXSA-N	0	3	433.395	3.785	50	5		IHBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccccc1F	ZINC000009349677	569524799	/nfs/dbraw/zinc/52/47/99/569524799.db2.gz	FIFWEEJBBWAZQK-NJDAHSKKSA-N	0	3	433.395	3.785	50	5		IHBAHN
CCN(CC)CCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	ZINC000008685327	562962454	/nfs/dbraw/zinc/96/24/54/562962454.db2.gz	BZKDRXCDYUNFMC-IBGZPJMESA-N	0	3	449.349	3.969	50	5		IHBAHN
CCN(CC)CCOC(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000002026463	568928397	/nfs/dbraw/zinc/92/83/97/568928397.db2.gz	KYTLSZJSZPSBFM-UHFFFAOYSA-N	0	3	442.497	3.955	50	5		IHBAHN
Cc1ccc(CNc2ccc(S(=O)(=O)NCCN(C(C)C)C(C)C)cc2[N+](=O)[O-])cc1	ZINC000013038959	569307601	/nfs/dbraw/zinc/30/76/01/569307601.db2.gz	PCXOZUXJSYKRKI-UHFFFAOYSA-N	0	3	448.589	3.912	50	5		IHBAHN
CC(C)N(CCNS(=O)(=O)c1ccc(N(C)Cc2ccccc2)c([N+](=O)[O-])c1)C(C)C	ZINC000013040761	569307626	/nfs/dbraw/zinc/30/76/26/569307626.db2.gz	OCOXUDISUWMBPH-UHFFFAOYSA-N	0	3	448.589	3.628	50	5		IHBAHN
Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	ZINC000227167256	569431722	/nfs/dbraw/zinc/43/17/22/569431722.db2.gz	IOSCYWBRIHXQPY-FDFHNCONSA-N	0	3	429.432	3.954	50	5		IHBAHN
COc1ccc(N2OC3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1	ZINC000244633238	569492808	/nfs/dbraw/zinc/49/28/08/569492808.db2.gz	FZKPBSNVJMQEFD-FKBYEOEOSA-N	0	3	445.431	3.655	50	5		IHBAHN
O=C(NC[C@@H](c1cccc2ccccc21)N1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000010334240	569581127	/nfs/dbraw/zinc/58/11/27/569581127.db2.gz	VWZGNNIWISBBKH-QFIPXVFZSA-N	0	3	432.480	3.640	50	5		IHBAHN
Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)c1	ZINC000102711613	557373689	/nfs/dbraw/zinc/37/36/89/557373689.db2.gz	FNORUDMBNCDKKE-YPAWHYETSA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c1	ZINC000137472871	568844817	/nfs/dbraw/zinc/84/48/17/568844817.db2.gz	FNORUDMBNCDKKE-FDFHNCONSA-N	0	3	429.432	3.954	50	5		IHBAHN
COc1ccc(N2OC3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1	ZINC000244633239	569492814	/nfs/dbraw/zinc/49/28/14/569492814.db2.gz	FZKPBSNVJMQEFD-VSKRKVRLSA-N	0	3	445.431	3.655	50	5		IHBAHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4)[C@H]3C2=O)cc1	ZINC000245309101	569502554	/nfs/dbraw/zinc/50/25/54/569502554.db2.gz	AYUSIIUDFYQHOF-YPAWHYETSA-N	0	3	429.432	3.954	50	5		IHBAHN
COC(=O)c1ccccc1C(=O)c1ccc(NC2CCN(C(C)C)CC2)c([N+](=O)[O-])c1	ZINC000012763432	522256815	/nfs/dbraw/zinc/25/68/15/522256815.db2.gz	LJHYBJJRIGHJIH-UHFFFAOYSA-N	0	3	425.485	3.897	50	5		IHBAHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	ZINC000100722379	556657437	/nfs/dbraw/zinc/65/74/37/556657437.db2.gz	XFLYLUWAQGFVEE-FDFHNCONSA-N	0	3	429.432	3.954	50	5		IHBAHN
COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1	ZINC000102709331	557367587	/nfs/dbraw/zinc/36/75/87/557367587.db2.gz	SJZVHCSHLUOAHU-YPAWHYETSA-N	0	3	445.431	3.655	50	5		IHBAHN
COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1	ZINC000102734233	557372447	/nfs/dbraw/zinc/37/24/47/557372447.db2.gz	GFEQTTSYRQKZLP-YPAWHYETSA-N	0	3	445.431	3.655	50	5		IHBAHN
COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)C2ON1c1ccccc1	ZINC000102734233	557372451	/nfs/dbraw/zinc/37/24/51/557372451.db2.gz	GFEQTTSYRQKZLP-YPAWHYETSA-N	0	3	445.431	3.655	50	5		IHBAHN
Cc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)s1	ZINC000001876938	568741965	/nfs/dbraw/zinc/74/19/65/568741965.db2.gz	GDXGDMGOEMTSDD-QGZVFWFLSA-N	0	3	434.433	3.919	50	5		IHBAHN
O=C(CCN1CCC(C(=O)Nc2ccc(F)cc2)CC1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000096012985	569380129	/nfs/dbraw/zinc/38/01/29/569380129.db2.gz	CPIZWVWYWWXZAA-UHFFFAOYSA-N	0	3	432.427	3.552	50	5		IHBAHN
COc1ccc([C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)N2CCCCCC2)cc1	ZINC000027583152	569274026	/nfs/dbraw/zinc/27/40/26/569274026.db2.gz	DQIWYUTZKRTDNQ-QFIPXVFZSA-N	0	3	427.501	3.716	50	5		IHBAHN
Cc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C1=O	ZINC000245246450	569501197	/nfs/dbraw/zinc/50/11/97/569501197.db2.gz	LYHURZVPPLFWJW-YPAWHYETSA-N	0	3	429.432	3.954	50	5		IHBAHN
COc1ccc2c(c1)oc1c(c2=O)C(c2cccc([N+](=O)[O-])c2)N(c2cc(C)on2)C1=O	ZINC000009357770	569525602	/nfs/dbraw/zinc/52/56/02/569525602.db2.gz	ZJDXYCFPOPXYBV-LJQANCHMSA-N	0	3	433.376	3.756	50	5		IHBAHN
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000018188138	557245920	/nfs/dbraw/zinc/24/59/20/557245920.db2.gz	NCUNSLYYVYSWPP-BDTNDASRSA-N	0	3	445.431	3.655	50	5		IHBAHN
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)C3ON2c2ccccc2)cc1	ZINC000102718613	557375303	/nfs/dbraw/zinc/37/53/03/557375303.db2.gz	MNUHBILPENDACX-BHDDXSALSA-N	0	3	429.432	3.954	50	5		IHBAHN
CCN(CC)S(=O)(=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000015207665	568732199	/nfs/dbraw/zinc/73/21/99/568732199.db2.gz	BKZVFTQDVSPFOG-UHFFFAOYSA-N	0	3	446.573	3.702	50	5		IHBAHN
Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])cc2)c1	ZINC000245327750	569503388	/nfs/dbraw/zinc/50/33/88/569503388.db2.gz	QCMIGTMWYPLPKM-BHIFYINESA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)c1	ZINC000245327750	569503389	/nfs/dbraw/zinc/50/33/89/569503389.db2.gz	QCMIGTMWYPLPKM-BHIFYINESA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)C2ON1c1ccccc1	ZINC000102744748	557377435	/nfs/dbraw/zinc/37/74/35/557377435.db2.gz	NMDCUQHAPVTSMT-BHDDXSALSA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@H]3C2=O)c1	ZINC000102740449	557380827	/nfs/dbraw/zinc/38/08/27/557380827.db2.gz	KVWRTGLPXOMTMP-BHIFYINESA-N	0	3	429.432	3.954	50	5		IHBAHN
O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4ccccc4F)c(O)c23)cc1	ZINC000103623913	557439845	/nfs/dbraw/zinc/43/98/45/557439845.db2.gz	NHZSZGDVBIEKJZ-FPOVZHCZSA-N	0	3	430.395	3.516	50	5		IHBAHN
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1CCN(Cc2ccccc2)CC1	ZINC000012522886	527358733	/nfs/dbraw/zinc/35/87/33/527358733.db2.gz	DAOHHXXVQPGLFI-UHFFFAOYSA-N	0	3	425.532	3.936	50	5		IHBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccccc1F	ZINC000229917450	556406657	/nfs/dbraw/zinc/40/66/57/556406657.db2.gz	FIFWEEJBBWAZQK-PWRODBHTSA-N	0	3	433.395	3.785	50	5		IHBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000229927904	556408550	/nfs/dbraw/zinc/40/85/50/556408550.db2.gz	LEDCWLZFYZHCKR-PWRODBHTSA-N	0	3	433.395	3.785	50	5		IHBAHN
COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)C3ON2c2ccccc2)c1	ZINC000100937081	557202704	/nfs/dbraw/zinc/20/27/04/557202704.db2.gz	KKWLEQOPCNKWOY-VSKRKVRLSA-N	0	3	445.431	3.655	50	5		IHBAHN
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)C3ON2c2ccccc2)cc1	ZINC000102718617	557375186	/nfs/dbraw/zinc/37/51/86/557375186.db2.gz	MNUHBILPENDACX-YPAWHYETSA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000137587547	568880308	/nfs/dbraw/zinc/88/03/08/568880308.db2.gz	KQVZEZIPDVBIAL-BHDDXSALSA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)s1	ZINC000001876937	568917251	/nfs/dbraw/zinc/91/72/51/568917251.db2.gz	GDXGDMGOEMTSDD-KRWDZBQOSA-N	0	3	434.433	3.919	50	5		IHBAHN
COc1ccc2c(c1)oc1c(c2=O)C(c2cccc([N+](=O)[O-])c2)N(c2nccs2)C1=O	ZINC000008739838	569472494	/nfs/dbraw/zinc/47/24/94/569472494.db2.gz	WVCNXBZKIBLYLI-QGZVFWFLSA-N	0	3	435.417	3.916	50	5		IHBAHN
CCCCN(CCCC)C(=O)CN(CCN(CC)CC)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000004578251	556528872	/nfs/dbraw/zinc/52/88/72/556528872.db2.gz	UNCUVQJOQYIGLC-UHFFFAOYSA-N	0	3	434.581	3.808	50	5		IHBAHN
Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O	ZINC000102727397	557370236	/nfs/dbraw/zinc/37/02/36/557370236.db2.gz	GHOVMVSZIPSWNX-BHDDXSALSA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000102733858	557372199	/nfs/dbraw/zinc/37/21/99/557372199.db2.gz	MXBNLMMPMIDQOU-YPAWHYETSA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1	ZINC000102739899	557380533	/nfs/dbraw/zinc/38/05/33/557380533.db2.gz	AYUSIIUDFYQHOF-FDFHNCONSA-N	0	3	429.432	3.954	50	5		IHBAHN
CCN(CC)CCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	ZINC000008685328	562962471	/nfs/dbraw/zinc/96/24/71/562962471.db2.gz	BZKDRXCDYUNFMC-LJQANCHMSA-N	0	3	449.349	3.969	50	5		IHBAHN
Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O	ZINC000138589867	569083247	/nfs/dbraw/zinc/08/32/47/569083247.db2.gz	GHOVMVSZIPSWNX-FDFHNCONSA-N	0	3	429.432	3.954	50	5		IHBAHN
COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)c1	ZINC000102764139	557381270	/nfs/dbraw/zinc/38/12/70/557381270.db2.gz	OZVWQMZSXNUHBB-FDFHNCONSA-N	0	3	445.431	3.655	50	5		IHBAHN
Cc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C1=O	ZINC000102750621	557382837	/nfs/dbraw/zinc/38/28/37/557382837.db2.gz	LYHURZVPPLFWJW-BHIFYINESA-N	0	3	429.432	3.954	50	5		IHBAHN
CCOC(=O)C1=C(CNC(C)(C)CC(C)(C)C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000012412632	562982018	/nfs/dbraw/zinc/98/20/18/562982018.db2.gz	VFEUQSFMTPCUMH-GOSISDBHSA-N	0	3	432.521	3.570	50	5		IHBAHN
Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)c1	ZINC000137795296	568893209	/nfs/dbraw/zinc/89/32/09/568893209.db2.gz	QCMIGTMWYPLPKM-FDFHNCONSA-N	0	3	429.432	3.954	50	5		IHBAHN
CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008834892	569477939	/nfs/dbraw/zinc/47/79/39/569477939.db2.gz	UYJMLOFRIIKCKI-LJQANCHMSA-N	0	3	441.871	3.852	50	5		IHBAHN
Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O	ZINC000102713461	557374534	/nfs/dbraw/zinc/37/45/34/557374534.db2.gz	IOSCYWBRIHXQPY-YPAWHYETSA-N	0	3	429.432	3.954	50	5		IHBAHN
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)C3ON2c2ccccc2)c1	ZINC000227068353	569431454	/nfs/dbraw/zinc/43/14/54/569431454.db2.gz	KKWLEQOPCNKWOY-BHDDXSALSA-N	0	3	445.431	3.655	50	5		IHBAHN
Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000245325604	569503357	/nfs/dbraw/zinc/50/33/57/569503357.db2.gz	GHOVMVSZIPSWNX-BHIFYINESA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O	ZINC000245325604	569503358	/nfs/dbraw/zinc/50/33/58/569503358.db2.gz	GHOVMVSZIPSWNX-BHIFYINESA-N	0	3	429.432	3.954	50	5		IHBAHN
O=C(NC[C@H](c1cccc2ccccc21)N1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000010334236	569581064	/nfs/dbraw/zinc/58/10/64/569581064.db2.gz	VWZGNNIWISBBKH-JOCHJYFZSA-N	0	3	432.480	3.640	50	5		IHBAHN
Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O	ZINC000102727401	557370336	/nfs/dbraw/zinc/37/03/36/557370336.db2.gz	GHOVMVSZIPSWNX-YPAWHYETSA-N	0	3	429.432	3.954	50	5		IHBAHN
O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1	ZINC000102741834	557376321	/nfs/dbraw/zinc/37/63/21/557376321.db2.gz	TVNKGLFFGUBVSO-PCCBWWKXSA-N	0	3	433.395	3.785	50	5		IHBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000102741834	557376324	/nfs/dbraw/zinc/37/63/24/557376324.db2.gz	TVNKGLFFGUBVSO-PCCBWWKXSA-N	0	3	433.395	3.785	50	5		IHBAHN
COCCN(C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1C)C(C)=O	ZINC000034740576	568737751	/nfs/dbraw/zinc/73/77/51/568737751.db2.gz	OXZHLFPYYRNLEK-ZJSXRUAMSA-N	0	3	425.529	3.614	50	5		IHBAHN
COc1ccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)N2CCCCCC2)cc1	ZINC000027583146	569274071	/nfs/dbraw/zinc/27/40/71/569274071.db2.gz	DQIWYUTZKRTDNQ-JOCHJYFZSA-N	0	3	427.501	3.716	50	5		IHBAHN
Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)C2ON1c1ccccc1	ZINC000101114861	557256641	/nfs/dbraw/zinc/25/66/41/557256641.db2.gz	NMDCUQHAPVTSMT-VSKRKVRLSA-N	0	3	429.432	3.954	50	5		IHBAHN
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000100123850	557319266	/nfs/dbraw/zinc/31/92/66/557319266.db2.gz	NCUNSLYYVYSWPP-VSKRKVRLSA-N	0	3	445.431	3.655	50	5		IHBAHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1	ZINC000102760354	557385225	/nfs/dbraw/zinc/38/52/25/557385225.db2.gz	QYGAIPNYDYKXHJ-BHIFYINESA-N	0	3	429.432	3.954	50	5		IHBAHN
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000137514173	568848448	/nfs/dbraw/zinc/84/84/48/568848448.db2.gz	MOSFIMPGJSYNDM-BHDDXSALSA-N	0	3	445.431	3.655	50	5		IHBAHN
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000137514173	568848449	/nfs/dbraw/zinc/84/84/49/568848449.db2.gz	MOSFIMPGJSYNDM-BHDDXSALSA-N	0	3	445.431	3.655	50	5		IHBAHN
CC(C)N(CCNS(=O)(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(C)C	ZINC000013038376	569307768	/nfs/dbraw/zinc/30/77/68/569307768.db2.gz	XIZMWQMVUIHAJE-UHFFFAOYSA-N	0	3	434.562	3.604	50	5		IHBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000245240455	569500218	/nfs/dbraw/zinc/50/02/18/569500218.db2.gz	TVNKGLFFGUBVSO-NJDAHSKKSA-N	0	3	433.395	3.785	50	5		IHBAHN
COCCN(C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1C)C(C)=O	ZINC000245328723	569503954	/nfs/dbraw/zinc/50/39/54/569503954.db2.gz	OXZHLFPYYRNLEK-XUZZJYLKSA-N	0	3	425.529	3.614	50	5		IHBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000017992846	557136655	/nfs/dbraw/zinc/13/66/55/557136655.db2.gz	WHVDSSFOLVXIRF-QHAWAJNXSA-N	0	3	433.395	3.785	50	5		IHBAHN
O=C(NC[C@@H](c1cccs1)N1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000024871189	557173570	/nfs/dbraw/zinc/17/35/70/557173570.db2.gz	JYUYANMFTIUUHQ-FQEVSTJZSA-N	0	3	428.558	3.826	50	5		IHBAHN
C[NH+](C)Cc1ccc(-c2ccccc2C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000024445220	557355525	/nfs/dbraw/zinc/35/55/25/557355525.db2.gz	NUOLBIFQZTYTPT-UHFFFAOYSA-N	0	3	425.510	3.802	50	5		IHBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000138430907	568968673	/nfs/dbraw/zinc/96/86/73/568968673.db2.gz	QMIFMAOWVCPMSZ-PWRODBHTSA-N	0	3	433.395	3.785	50	5		IHBAHN
O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1c1nncs1	ZINC000002401503	569299644	/nfs/dbraw/zinc/29/96/44/569299644.db2.gz	MTSBPDXKDSXNQA-HNNXBMFYSA-N	0	3	440.824	3.956	50	5		IHBAHN
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1	ZINC000055529223	569363572	/nfs/dbraw/zinc/36/35/72/569363572.db2.gz	KELYLWFDJYYPOJ-UHFFFAOYSA-N	0	3	446.507	3.935	50	5		IHBAHN
Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccccc2)c1	ZINC000245326502	569503392	/nfs/dbraw/zinc/50/33/92/569503392.db2.gz	KVWRTGLPXOMTMP-YPAWHYETSA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4)[C@H]3C2=O)c1	ZINC000245326502	569503393	/nfs/dbraw/zinc/50/33/93/569503393.db2.gz	KVWRTGLPXOMTMP-YPAWHYETSA-N	0	3	429.432	3.954	50	5		IHBAHN
COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000245328149	569503410	/nfs/dbraw/zinc/50/34/10/569503410.db2.gz	SJZVHCSHLUOAHU-BHIFYINESA-N	0	3	445.431	3.655	50	5		IHBAHN
COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1	ZINC000245328149	569503411	/nfs/dbraw/zinc/50/34/11/569503411.db2.gz	SJZVHCSHLUOAHU-BHIFYINESA-N	0	3	445.431	3.655	50	5		IHBAHN
O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000229959323	556412474	/nfs/dbraw/zinc/41/24/74/556412474.db2.gz	BTYKVKZKPFZZEW-PWRODBHTSA-N	0	3	433.395	3.785	50	5		IHBAHN
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=S)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000016035744	556577709	/nfs/dbraw/zinc/57/77/09/556577709.db2.gz	LXBPRGBFEOMIHY-WMZOPIPTSA-N	0	3	444.944	3.879	50	5		IHBAHN
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000017885737	557126848	/nfs/dbraw/zinc/12/68/48/557126848.db2.gz	KQVZEZIPDVBIAL-BDTNDASRSA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)C2ON1c1ccccc1	ZINC000018178928	557245862	/nfs/dbraw/zinc/24/58/62/557245862.db2.gz	NMDCUQHAPVTSMT-BDTNDASRSA-N	0	3	429.432	3.954	50	5		IHBAHN
COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)c1	ZINC000102724271	557369667	/nfs/dbraw/zinc/36/96/67/557369667.db2.gz	SCCPQDAGFFQDBE-YPAWHYETSA-N	0	3	445.431	3.655	50	5		IHBAHN
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=S)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000016035743	568867463	/nfs/dbraw/zinc/86/74/63/568867463.db2.gz	LXBPRGBFEOMIHY-FUHWJXTLSA-N	0	3	444.944	3.879	50	5		IHBAHN
COC(=O)[C@H](C)CN(Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C1CC1	ZINC000096003605	569379179	/nfs/dbraw/zinc/37/91/79/569379179.db2.gz	WHTKNHPUNLAHFL-MRXNPFEDSA-N	0	3	428.485	3.956	50	5		IHBAHN
COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)C2ON1c1ccccc1	ZINC000226990470	569430437	/nfs/dbraw/zinc/43/04/37/569430437.db2.gz	GFEQTTSYRQKZLP-BHDDXSALSA-N	0	3	445.431	3.655	50	5		IHBAHN
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000227088405	569431419	/nfs/dbraw/zinc/43/14/19/569431419.db2.gz	MXBNLMMPMIDQOU-BHDDXSALSA-N	0	3	429.432	3.954	50	5		IHBAHN
COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O	ZINC000101084028	557228067	/nfs/dbraw/zinc/22/80/67/557228067.db2.gz	ZGJQSPINOPAOTC-YPAWHYETSA-N	0	3	445.431	3.655	50	5		IHBAHN
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(Cc2cccc3ccccc32)CC1	ZINC000010077066	569299331	/nfs/dbraw/zinc/29/93/31/569299331.db2.gz	HAQVUGIMKMDKJV-UHFFFAOYSA-N	0	3	448.523	3.903	50	5		IHBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000245240456	569500207	/nfs/dbraw/zinc/50/02/07/569500207.db2.gz	TVNKGLFFGUBVSO-PWRODBHTSA-N	0	3	433.395	3.785	50	5		IHBAHN
COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)c1	ZINC000245246820	569501178	/nfs/dbraw/zinc/50/11/78/569501178.db2.gz	OZVWQMZSXNUHBB-YPAWHYETSA-N	0	3	445.431	3.655	50	5		IHBAHN
CCN(CC)CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1nc2cc3c(cc2s1)OCCO3	ZINC000010066921	569577606	/nfs/dbraw/zinc/57/76/06/569577606.db2.gz	WPOIRWVRBBHCHH-UHFFFAOYSA-N	0	3	446.485	3.557	50	5		IHBAHN
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc([N+](=O)[O-])c1)N(CCCN(C)C)C3=O	ZINC000010233145	569579518	/nfs/dbraw/zinc/57/95/18/569579518.db2.gz	JOQUOMOKUYBJEZ-NRFANRHFSA-N	0	3	435.480	3.815	50	5		IHBAHN
Cc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@@H]3C2=O)c1	ZINC000013759153	556728054	/nfs/dbraw/zinc/72/80/54/556728054.db2.gz	KVWRTGLPXOMTMP-FDFHNCONSA-N	0	3	429.432	3.954	50	5		IHBAHN
CC[N@@H+]1CCC[C@H](Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])C1	ZINC000048325649	557066295	/nfs/dbraw/zinc/06/62/95/557066295.db2.gz	ZIJUAIFXZPKIBD-KRWDZBQOSA-N	0	3	432.546	3.909	50	5		IHBAHN
CC[N@H+]1CCC[C@H](Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])C1	ZINC000048325649	557066298	/nfs/dbraw/zinc/06/62/98/557066298.db2.gz	ZIJUAIFXZPKIBD-KRWDZBQOSA-N	0	3	432.546	3.909	50	5		IHBAHN
COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	ZINC000101084027	557227957	/nfs/dbraw/zinc/22/79/57/557227957.db2.gz	ZGJQSPINOPAOTC-BHDDXSALSA-N	0	3	445.431	3.655	50	5		IHBAHN
COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000101155888	557257173	/nfs/dbraw/zinc/25/71/73/557257173.db2.gz	MOSFIMPGJSYNDM-VSKRKVRLSA-N	0	3	445.431	3.655	50	5		IHBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000138431045	568968701	/nfs/dbraw/zinc/96/87/01/568968701.db2.gz	QMIFMAOWVCPMSZ-PCCBWWKXSA-N	0	3	433.395	3.785	50	5		IHBAHN
COc1ccc(N2OC3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@H]2c2ccccc2)cc1	ZINC000244633237	569492792	/nfs/dbraw/zinc/49/27/92/569492792.db2.gz	FZKPBSNVJMQEFD-BDTNDASRSA-N	0	3	445.431	3.655	50	5		IHBAHN
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2nc3cc(Cl)ccc3c(=O)n2c1	ZINC000009475133	569539122	/nfs/dbraw/zinc/53/91/22/569539122.db2.gz	UVZVNVGKVZLTRV-UHFFFAOYSA-N	0	3	446.938	3.896	50	5		IHBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H](c1cccc2ccccc21)N1CCCC1	ZINC000010335669	569581098	/nfs/dbraw/zinc/58/10/98/569581098.db2.gz	GKNIJYWTSZEZCI-NRFANRHFSA-N	0	3	425.510	3.863	50	5		IHBAHN
COc1ccc([C@@H](CNC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N(C)C)cc1	ZINC000009339320	132230377	/nfs/dbraw/zinc/23/03/77/132230377.db2.gz	GSBUKLWLEWWBEH-JOCHJYFZSA-N	0	3	426.517	3.626	50	5		IHBAHN
CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H]2CCCN(CC)C2)c([N+](=O)[O-])c1	ZINC000048325715	557066203	/nfs/dbraw/zinc/06/62/03/557066203.db2.gz	GRZWTUNWXKBIEY-KRWDZBQOSA-N	0	3	432.546	3.706	50	5		IHBAHN
COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)C2ON1c1ccccc1	ZINC000018059525	557233934	/nfs/dbraw/zinc/23/39/34/557233934.db2.gz	GFEQTTSYRQKZLP-VSKRKVRLSA-N	0	3	445.431	3.655	50	5		IHBAHN
O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1	ZINC000102741837	557376414	/nfs/dbraw/zinc/37/64/14/557376414.db2.gz	TVNKGLFFGUBVSO-QHAWAJNXSA-N	0	3	433.395	3.785	50	5		IHBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000102741837	557376417	/nfs/dbraw/zinc/37/64/17/557376417.db2.gz	TVNKGLFFGUBVSO-QHAWAJNXSA-N	0	3	433.395	3.785	50	5		IHBAHN
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000103002664	557415461	/nfs/dbraw/zinc/41/54/61/557415461.db2.gz	NCUNSLYYVYSWPP-YPAWHYETSA-N	0	3	445.431	3.655	50	5		IHBAHN
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1	ZINC000057247672	569430185	/nfs/dbraw/zinc/43/01/85/569430185.db2.gz	NWSYAVTYFICFAI-UHFFFAOYSA-N	0	3	446.507	3.935	50	5		IHBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000009459760	569536834	/nfs/dbraw/zinc/53/68/34/569536834.db2.gz	WHVDSSFOLVXIRF-NJDAHSKKSA-N	0	3	433.395	3.785	50	5		IHBAHN
CN(CCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1)Cc1ccccc1	ZINC000020957800	522770515	/nfs/dbraw/zinc/77/05/15/522770515.db2.gz	KYPVSIQKNQWVLJ-UHFFFAOYSA-N	0	3	436.468	3.692	50	5		IHBAHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1	ZINC000229908510	556406938	/nfs/dbraw/zinc/40/69/38/556406938.db2.gz	QYGAIPNYDYKXHJ-BHDDXSALSA-N	0	3	429.432	3.954	50	5		IHBAHN
COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)c1	ZINC000229921892	556408863	/nfs/dbraw/zinc/40/88/63/556408863.db2.gz	OZVWQMZSXNUHBB-BHDDXSALSA-N	0	3	445.431	3.655	50	5		IHBAHN
CN1CCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C2(CCCCC2)C1	ZINC000072308919	556568235	/nfs/dbraw/zinc/56/82/35/556568235.db2.gz	HLNPUPDURJIPIO-UHFFFAOYSA-N	0	3	429.546	3.607	50	5		IHBAHN
COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	ZINC000136011144	556641125	/nfs/dbraw/zinc/64/11/25/556641125.db2.gz	ZGJQSPINOPAOTC-FDFHNCONSA-N	0	3	445.431	3.655	50	5		IHBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000013660932	556707828	/nfs/dbraw/zinc/70/78/28/556707828.db2.gz	BTYKVKZKPFZZEW-QHAWAJNXSA-N	0	3	433.395	3.785	50	5		IHBAHN
COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)c1	ZINC000102764141	557381202	/nfs/dbraw/zinc/38/12/02/557381202.db2.gz	OZVWQMZSXNUHBB-BHIFYINESA-N	0	3	445.431	3.655	50	5		IHBAHN
CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000008834893	569477926	/nfs/dbraw/zinc/47/79/26/569477926.db2.gz	UYJMLOFRIIKCKI-IBGZPJMESA-N	0	3	441.871	3.852	50	5		IHBAHN
O=C(NC[C@H](c1cccc2ccccc21)N1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000010333854	569581050	/nfs/dbraw/zinc/58/10/50/569581050.db2.gz	XTGCGCDRHUFLAY-JOCHJYFZSA-N	0	3	432.480	3.640	50	5		IHBAHN
Cc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C1=O	ZINC000229925715	556408452	/nfs/dbraw/zinc/40/84/52/556408452.db2.gz	LYHURZVPPLFWJW-BHDDXSALSA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1	ZINC000100722385	556657568	/nfs/dbraw/zinc/65/75/68/556657568.db2.gz	XFLYLUWAQGFVEE-BHIFYINESA-N	0	3	429.432	3.954	50	5		IHBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000102709076	557367547	/nfs/dbraw/zinc/36/75/47/557367547.db2.gz	BTYKVKZKPFZZEW-PCCBWWKXSA-N	0	3	433.395	3.785	50	5		IHBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000102761011	557385280	/nfs/dbraw/zinc/38/52/80/557385280.db2.gz	LEDCWLZFYZHCKR-PCCBWWKXSA-N	0	3	433.395	3.785	50	5		IHBAHN
Cc1ccc(C(=O)C(C(=S)[N-]Cc2ccccc2)[n+]2cccc(CO)c2)cc1[N+](=O)[O-]	ZINC000015953149	563020425	/nfs/dbraw/zinc/02/04/25/563020425.db2.gz	ACROSYWKLRCRSZ-UHFFFAOYSA-O	0	3	436.513	3.684	50	5		IHBAHN
COc1ccc2c(c1)oc1c(c2=O)C(c2cccc([N+](=O)[O-])c2)N(c2nccs2)C1=O	ZINC000008739837	569472443	/nfs/dbraw/zinc/47/24/43/569472443.db2.gz	WVCNXBZKIBLYLI-KRWDZBQOSA-N	0	3	435.417	3.916	50	5		IHBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000009357190	569525517	/nfs/dbraw/zinc/52/55/17/569525517.db2.gz	LEDCWLZFYZHCKR-NJDAHSKKSA-N	0	3	433.395	3.785	50	5		IHBAHN
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2nc3ccc(Cl)cc3c(=O)n2c1	ZINC000009475126	569539081	/nfs/dbraw/zinc/53/90/81/569539081.db2.gz	ZZWSZELWJBCIEC-UHFFFAOYSA-N	0	3	446.938	3.896	50	5		IHBAHN
O=C(NC[C@@H](c1cccc2ccccc21)N1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000010333859	569581040	/nfs/dbraw/zinc/58/10/40/569581040.db2.gz	XTGCGCDRHUFLAY-QFIPXVFZSA-N	0	3	432.480	3.640	50	5		IHBAHN
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)c1	ZINC000096786949	556842784	/nfs/dbraw/zinc/84/27/84/556842784.db2.gz	SCCPQDAGFFQDBE-BDTNDASRSA-N	0	3	445.431	3.655	50	5		IHBAHN
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000017750194	557115787	/nfs/dbraw/zinc/11/57/87/557115787.db2.gz	MOSFIMPGJSYNDM-BDTNDASRSA-N	0	3	445.431	3.655	50	5		IHBAHN
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)C3ON2c2ccccc2)c1	ZINC000018119072	557238214	/nfs/dbraw/zinc/23/82/14/557238214.db2.gz	KKWLEQOPCNKWOY-BDTNDASRSA-N	0	3	445.431	3.655	50	5		IHBAHN
COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000102709327	557367625	/nfs/dbraw/zinc/36/76/25/557367625.db2.gz	SJZVHCSHLUOAHU-BHDDXSALSA-N	0	3	445.431	3.655	50	5		IHBAHN
Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c1	ZINC000102711609	557373807	/nfs/dbraw/zinc/37/38/07/557373807.db2.gz	FNORUDMBNCDKKE-BHDDXSALSA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1	ZINC000102760351	557385322	/nfs/dbraw/zinc/38/53/22/557385322.db2.gz	QYGAIPNYDYKXHJ-FDFHNCONSA-N	0	3	429.432	3.954	50	5		IHBAHN
COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(Cn2cc([N+](=O)[O-])cn2)c1	ZINC000032109696	568781480	/nfs/dbraw/zinc/78/14/80/568781480.db2.gz	KKCYHNHNUZOMAW-QFIPXVFZSA-N	0	3	433.468	3.573	50	5	biogenic	IHBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccccc1F	ZINC000017822869	557124487	/nfs/dbraw/zinc/12/44/87/557124487.db2.gz	FIFWEEJBBWAZQK-QHAWAJNXSA-N	0	3	433.395	3.785	50	5		IHBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000018068841	557235013	/nfs/dbraw/zinc/23/50/13/557235013.db2.gz	LEDCWLZFYZHCKR-QHAWAJNXSA-N	0	3	433.395	3.785	50	5		IHBAHN
COc1ccc(N2OC3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1	ZINC000101894032	557305912	/nfs/dbraw/zinc/30/59/12/557305912.db2.gz	FZKPBSNVJMQEFD-FSSWDIPSSA-N	0	3	445.431	3.655	50	5		IHBAHN
Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)c1	ZINC000102734799	557372546	/nfs/dbraw/zinc/37/25/46/557372546.db2.gz	QCMIGTMWYPLPKM-YPAWHYETSA-N	0	3	429.432	3.954	50	5		IHBAHN
Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)c1	ZINC000102734799	557372549	/nfs/dbraw/zinc/37/25/49/557372549.db2.gz	QCMIGTMWYPLPKM-YPAWHYETSA-N	0	3	429.432	3.954	50	5		IHBAHN