smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1N1CCC([N@@H+]2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)CC1	ZINC000011822135	204356452	/nfs/dbraw/zinc/35/64/52/204356452.db2.gz	WKDHBQVPRLSDKM-IFMALSPDSA-N	2	1	387.568	2.975	10	0		GFAEMP
COc1ccccc1N1CCC([N@H+]2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)CC1	ZINC000011822135	204356457	/nfs/dbraw/zinc/35/64/57/204356457.db2.gz	WKDHBQVPRLSDKM-IFMALSPDSA-N	2	1	387.568	2.975	10	0		GFAEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)CC1	ZINC000170941620	551643440	/nfs/dbraw/zinc/64/34/40/551643440.db2.gz	MFGRHQVFXAEQOK-ZDUSSCGKSA-N	2	1	399.329	2.702	10	0		GFAEMP
C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3cccc(Br)c3)CC[C@@H]21	ZINC000178422695	552170164	/nfs/dbraw/zinc/17/01/64/552170164.db2.gz	REZAPSXVJFPVCJ-HFTRVMKXSA-N	2	1	383.330	2.605	10	0		GFAEMP
C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)COc3cccc(Br)c3)CC[C@@H]21	ZINC000178422695	552170166	/nfs/dbraw/zinc/17/01/66/552170166.db2.gz	REZAPSXVJFPVCJ-HFTRVMKXSA-N	2	1	383.330	2.605	10	0		GFAEMP
C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3cccc(Br)c3)CC[C@@H]21	ZINC000178422695	552170168	/nfs/dbraw/zinc/17/01/68/552170168.db2.gz	REZAPSXVJFPVCJ-HFTRVMKXSA-N	2	1	383.330	2.605	10	0		GFAEMP
C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Oc1ccc(Br)cc1	ZINC000261934791	553163043	/nfs/dbraw/zinc/16/30/43/553163043.db2.gz	MCTMVVNHXZONAZ-BVPBIZIASA-N	2	1	383.330	2.963	10	0		GFAEMP
[NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3nc(-c4ccncc4)cc(=O)[nH]3)cc2)C1	ZINC000048284575	570231077	/nfs/dbraw/zinc/23/10/77/570231077.db2.gz	SGWQMYTXVOICLV-QGZVFWFLSA-N	2	1	375.476	2.670	10	0		GFAEMP
COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3cc[nH+]c4ccccc43)CC2)C1	ZINC000071405752	205283770	/nfs/dbraw/zinc/28/37/70/205283770.db2.gz	PGUQPGOFPGPSHS-SFHVURJKSA-N	2	1	396.535	2.678	10	0		GFAEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)c2cccc(Br)c2)CC1	ZINC000170941923	551643574	/nfs/dbraw/zinc/64/35/74/551643574.db2.gz	LJBSFVYCWZUXDL-KSSFIOAISA-N	2	1	385.346	2.507	10	0		GFAEMP
CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc(Br)c2)C1	ZINC000247479452	553122526	/nfs/dbraw/zinc/12/25/26/553122526.db2.gz	JYLOYQXRSHAPSG-DOTOQJQBSA-N	2	1	385.346	2.853	10	0		GFAEMP
CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc(Br)c2)C1	ZINC000247479452	553122528	/nfs/dbraw/zinc/12/25/28/553122528.db2.gz	JYLOYQXRSHAPSG-DOTOQJQBSA-N	2	1	385.346	2.853	10	0		GFAEMP
COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc(Br)c1OC	ZINC000262019135	553164888	/nfs/dbraw/zinc/16/48/88/553164888.db2.gz	WJQKVCYFWXJAAG-IMJJTQAJSA-N	2	1	399.329	2.713	10	0		GFAEMP
Cc1cc2ccccc2n1CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1	ZINC000023339015	570321720	/nfs/dbraw/zinc/32/17/20/570321720.db2.gz	USQDVLLLBCYSDE-HXUWFJFHSA-N	2	1	382.552	2.872	10	0		GFAEMP
Cc1cc2ccccc2n1CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1	ZINC000023339015	570321724	/nfs/dbraw/zinc/32/17/24/570321724.db2.gz	USQDVLLLBCYSDE-HXUWFJFHSA-N	2	1	382.552	2.872	10	0		GFAEMP
COc1cc(C[NH2+]Cc2nc(C)cs2)ccc1OC[C@@H](O)C[NH+]1CCCC1	ZINC000055060735	205142296	/nfs/dbraw/zinc/14/22/96/205142296.db2.gz	JECLEZKSANJCRE-KRWDZBQOSA-N	2	1	391.537	2.585	10	0		GFAEMP
COc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1Br	ZINC000178609784	552173327	/nfs/dbraw/zinc/17/33/27/552173327.db2.gz	IJUSWWDSURQKRP-CQSZACIVSA-N	2	1	385.346	2.982	10	0		GFAEMP
C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Oc1cccc(Br)c1	ZINC000261886608	553162221	/nfs/dbraw/zinc/16/22/21/553162221.db2.gz	FXXHSANVWZXIOI-BNEJOLLZSA-N	2	1	383.330	2.963	10	0		GFAEMP
C[NH+](CC(=O)NCCNC(=O)C[N@H+](C)C1CCCCCC1)C1CCCCCC1	ZINC000009500475	204314224	/nfs/dbraw/zinc/31/42/24/204314224.db2.gz	XWUIKBRUEXKAQR-UHFFFAOYSA-N	2	1	394.604	2.528	10	0		GFAEMP
CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc(Br)c2)C1	ZINC000174225907	655194064	/nfs/dbraw/zinc/19/40/64/655194064.db2.gz	JYLOYQXRSHAPSG-RDJZCZTQSA-N	2	1	385.346	2.853	10	0		GFAEMP
CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc(Br)c2)C1	ZINC000174225907	655194067	/nfs/dbraw/zinc/19/40/67/655194067.db2.gz	JYLOYQXRSHAPSG-RDJZCZTQSA-N	2	1	385.346	2.853	10	0		GFAEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc3ccc(Br)cn23)CC1	ZINC000179515219	552194930	/nfs/dbraw/zinc/19/49/30/552194930.db2.gz	YHDNFSRPZBEUJQ-AWEZNQCLSA-N	2	1	395.345	2.621	10	0		GFAEMP
Cc1cc(Br)cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1O	ZINC000180093827	655321849	/nfs/dbraw/zinc/32/18/49/655321849.db2.gz	JUNKKXAGYUHMFK-CQSZACIVSA-N	2	1	385.346	2.988	10	0		GFAEMP
Brc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)cc1	ZINC000261864298	655442824	/nfs/dbraw/zinc/44/28/24/655442824.db2.gz	CMOAXHVQNBUHBE-AITUJVMLSA-N	2	1	394.357	2.775	10	0		GFAEMP
O=S(=O)(N[C@@H]1CC[N@H+](C2CCC2)C1)c1ccc(C[NH2+]C2CCCC2)cc1	ZINC000098178634	208369890	/nfs/dbraw/zinc/36/98/90/208369890.db2.gz	OUSAAZFJEMTFRH-GOSISDBHSA-N	2	1	377.554	2.624	10	0		GFAEMP
COc1ccc(Br)c(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1	ZINC000121106720	551227411	/nfs/dbraw/zinc/22/74/11/551227411.db2.gz	VVMMORMUNXTXHD-AWEZNQCLSA-N	2	1	385.346	2.982	10	0		GFAEMP
CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cccc(Br)c2)C1	ZINC000176284125	552137785	/nfs/dbraw/zinc/13/77/85/552137785.db2.gz	WEOODWIEFXFROH-WBVHZDCISA-N	2	1	385.346	2.853	10	0		GFAEMP
CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cccc(Br)c2)C1	ZINC000176284125	552137787	/nfs/dbraw/zinc/13/77/87/552137787.db2.gz	WEOODWIEFXFROH-WBVHZDCISA-N	2	1	385.346	2.853	10	0		GFAEMP
CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2cccc(Br)c2)C1	ZINC000176284125	552137789	/nfs/dbraw/zinc/13/77/89/552137789.db2.gz	WEOODWIEFXFROH-WBVHZDCISA-N	2	1	385.346	2.853	10	0		GFAEMP
CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc(Br)c2)C1	ZINC000176284125	552137791	/nfs/dbraw/zinc/13/77/91/552137791.db2.gz	WEOODWIEFXFROH-WBVHZDCISA-N	2	1	385.346	2.853	10	0		GFAEMP
C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1cnccn1	ZINC000095504539	208203776	/nfs/dbraw/zinc/20/37/76/208203776.db2.gz	VYFHHQSXXXHBHQ-SFHVURJKSA-N	2	1	399.514	2.532	10	0		GFAEMP
CC(C)[NH+]1CCC([NH2+][C@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)CC1	ZINC000012432158	570674953	/nfs/dbraw/zinc/67/49/53/570674953.db2.gz	LWBBJVHFZOAUCH-FQEVSTJZSA-N	2	1	387.572	2.525	10	0		GFAEMP
C[N@@H+](CCc1ccccc1)C1(C(=O)N2CCC(C[NH3+])CC2)Cc2ccccc2C1	ZINC000072169590	570877603	/nfs/dbraw/zinc/87/76/03/570877603.db2.gz	IDNNDIXTDAFTRC-UHFFFAOYSA-N	2	1	391.559	2.896	10	0		GFAEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc3c(cc2Br)OCO3)CC1	ZINC000170941915	551643405	/nfs/dbraw/zinc/64/34/05/551643405.db2.gz	AOWSGXPAPJYONH-CYBMUJFWSA-N	2	1	399.329	2.702	10	0		GFAEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc3ccc(Br)cn23)CC1	ZINC000179515291	552195652	/nfs/dbraw/zinc/19/56/52/552195652.db2.gz	YHDNFSRPZBEUJQ-CQSZACIVSA-N	2	1	395.345	2.621	10	0		GFAEMP
Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1	ZINC000261984276	553164030	/nfs/dbraw/zinc/16/40/30/553164030.db2.gz	RYSFKQLZPRZLQZ-IDCNUPLLSA-N	2	1	394.357	2.775	10	0		GFAEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc3c(cc2Br)OCO3)CC1	ZINC000170941914	551643895	/nfs/dbraw/zinc/64/38/95/551643895.db2.gz	AOWSGXPAPJYONH-ZDUSSCGKSA-N	2	1	399.329	2.702	10	0		GFAEMP
CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000237058572	655425496	/nfs/dbraw/zinc/42/54/96/655425496.db2.gz	KXMAWTGMCJWVPY-SUMWQHHRSA-N	2	1	382.346	2.903	10	0		GFAEMP
C[C@H](CCc1ccccc1)[NH2+]C[C@H](O)C[NH2+][C@@H](C)[C@@H]1COc2ccccc2O1	ZINC000004023819	206499107	/nfs/dbraw/zinc/49/91/07/206499107.db2.gz	BEQAAXDTEYGDBU-YNQURBJZSA-N	2	1	384.520	2.776	10	0		GFAEMP
Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1	ZINC000261984271	553164225	/nfs/dbraw/zinc/16/42/25/553164225.db2.gz	RYSFKQLZPRZLQZ-BURFUSLBSA-N	2	1	394.357	2.775	10	0		GFAEMP
CSCC[NH2+]Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1	ZINC000023367757	207274458	/nfs/dbraw/zinc/27/44/58/207274458.db2.gz	OTQYEJASITUZIB-NRFANRHFSA-N	2	1	386.561	2.937	10	0		GFAEMP
O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000247486378	553122939	/nfs/dbraw/zinc/12/29/39/553122939.db2.gz	KOUXWDWPUCMATF-FUHWJXTLSA-N	2	1	397.357	2.997	10	0		GFAEMP
O[C@@H](COc1cccc(Br)c1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000247486378	553122940	/nfs/dbraw/zinc/12/29/40/553122940.db2.gz	KOUXWDWPUCMATF-FUHWJXTLSA-N	2	1	397.357	2.997	10	0		GFAEMP
Cc1[nH+]ccn1C[C@H]1CCCN1[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000252802122	553150367	/nfs/dbraw/zinc/15/03/67/553150367.db2.gz	RHOAKWLYLYZYQP-HZPDHXFCSA-N	2	1	377.286	2.645	10	0		GFAEMP
[NH3+]CC1(C(=O)Nc2ccc(Cl)cc2)CCN(c2[nH+]cnc3[nH]ccc32)CC1	ZINC000089223230	136175475	/nfs/dbraw/zinc/17/54/75/136175475.db2.gz	MUQKOVQLILIBKJ-UHFFFAOYSA-N	2	1	384.871	2.795	10	0		GFAEMP
C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3cccc(Br)c3)CC[C@H]21	ZINC000248034560	553127008	/nfs/dbraw/zinc/12/70/08/553127008.db2.gz	REZAPSXVJFPVCJ-QGPMSJSTSA-N	2	1	383.330	2.605	10	0		GFAEMP
C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3cccc(Br)c3)CC[C@H]21	ZINC000248034560	553127013	/nfs/dbraw/zinc/12/70/13/553127013.db2.gz	REZAPSXVJFPVCJ-QGPMSJSTSA-N	2	1	383.330	2.605	10	0		GFAEMP
C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3cccc(Br)c3)CC[C@H]21	ZINC000248034560	553127017	/nfs/dbraw/zinc/12/70/17/553127017.db2.gz	REZAPSXVJFPVCJ-QGPMSJSTSA-N	2	1	383.330	2.605	10	0		GFAEMP
C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Oc1ccccc1Br	ZINC000261934878	553162863	/nfs/dbraw/zinc/16/28/63/553162863.db2.gz	MDLSGBGDBCKHBS-YALNPMBYSA-N	2	1	383.330	2.963	10	0		GFAEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1	ZINC000106126316	655103792	/nfs/dbraw/zinc/10/37/92/655103792.db2.gz	TYFDEVLLMPJYEC-ZDUSSCGKSA-N	2	1	388.339	2.957	10	0		GFAEMP
O=S(=O)(c1ccc(C[NH2+]C2CCCC2)cc1)N1CC[NH+](C2CCCC2)CC1	ZINC000098178638	211379111	/nfs/dbraw/zinc/37/91/11/211379111.db2.gz	LZXTXDDKWPOQFH-UHFFFAOYSA-N	2	1	391.581	2.968	10	0		GFAEMP
CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2cccc(Br)c2)CC1	ZINC000171940584	551666936	/nfs/dbraw/zinc/66/69/36/551666936.db2.gz	FFFTXIWXHLQHSU-KRWDZBQOSA-N	2	1	385.346	2.995	10	0		GFAEMP
C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1cnccn1	ZINC000095504538	211255838	/nfs/dbraw/zinc/25/58/38/211255838.db2.gz	VYFHHQSXXXHBHQ-GOSISDBHSA-N	2	1	399.514	2.532	10	0		GFAEMP
C[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1ccccn1)CC3	ZINC000096087684	211300674	/nfs/dbraw/zinc/30/06/74/211300674.db2.gz	UEMRNHPKWLYXRA-NZQKXSOJSA-N	2	1	382.552	2.628	10	0		GFAEMP
O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1	ZINC000172644530	551683874	/nfs/dbraw/zinc/68/38/74/551683874.db2.gz	OVYMGNNANJXEBC-WBVHZDCISA-N	2	1	383.330	2.607	10	0		GFAEMP
O[C@H](COc1cccc(Br)c1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1	ZINC000172644530	551683877	/nfs/dbraw/zinc/68/38/77/551683877.db2.gz	OVYMGNNANJXEBC-WBVHZDCISA-N	2	1	383.330	2.607	10	0		GFAEMP
CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2cccc(Br)c2)C1	ZINC000176284104	552137902	/nfs/dbraw/zinc/13/79/02/552137902.db2.gz	WEOODWIEFXFROH-RDJZCZTQSA-N	2	1	385.346	2.853	10	0		GFAEMP
CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2cccc(Br)c2)C1	ZINC000176284104	552137905	/nfs/dbraw/zinc/13/79/05/552137905.db2.gz	WEOODWIEFXFROH-RDJZCZTQSA-N	2	1	385.346	2.853	10	0		GFAEMP
CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc(Br)c2)C1	ZINC000176284104	552137909	/nfs/dbraw/zinc/13/79/09/552137909.db2.gz	WEOODWIEFXFROH-RDJZCZTQSA-N	2	1	385.346	2.853	10	0		GFAEMP
CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc(Br)c2)C1	ZINC000176284104	552137911	/nfs/dbraw/zinc/13/79/11/552137911.db2.gz	WEOODWIEFXFROH-RDJZCZTQSA-N	2	1	385.346	2.853	10	0		GFAEMP
COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1OC	ZINC000261912112	553162378	/nfs/dbraw/zinc/16/23/78/553162378.db2.gz	JDHCDNBAQQHOFC-FVQBIDKESA-N	2	1	399.329	2.713	10	0		GFAEMP
COc1c(Br)cccc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000186942741	552402180	/nfs/dbraw/zinc/40/21/80/552402180.db2.gz	LRNUDPBKLOUTCH-AWEZNQCLSA-N	2	1	385.346	2.982	10	0		GFAEMP
CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)COc2cccc(Br)c2)C1	ZINC000174225918	655193940	/nfs/dbraw/zinc/19/39/40/655193940.db2.gz	JYLOYQXRSHAPSG-WBVHZDCISA-N	2	1	385.346	2.853	10	0		GFAEMP
CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc(Br)c2)C1	ZINC000174225918	655193946	/nfs/dbraw/zinc/19/39/46/655193946.db2.gz	JYLOYQXRSHAPSG-WBVHZDCISA-N	2	1	385.346	2.853	10	0		GFAEMP
Brc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)cc1	ZINC000261864311	655442845	/nfs/dbraw/zinc/44/28/45/655442845.db2.gz	CMOAXHVQNBUHBE-JCHJZTRSSA-N	2	1	394.357	2.775	10	0		GFAEMP
c1ccc(C[N@H+]2CC[C@@H](Nc3nc(-c4ccccn4)nc4c3CC[NH2+]C4)C2)cc1	ZINC000072128358	211070931	/nfs/dbraw/zinc/07/09/31/211070931.db2.gz	YNIJMORJDXJLQQ-GOSISDBHSA-N	2	1	386.503	2.871	10	0		GFAEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)c2ccccc2Br)CC1	ZINC000152945064	551443229	/nfs/dbraw/zinc/44/32/29/551443229.db2.gz	QTMCMFPYLYCDFX-KSSFIOAISA-N	2	1	385.346	2.507	10	0		GFAEMP
COc1c(Br)cccc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000186942760	552402356	/nfs/dbraw/zinc/40/23/56/552402356.db2.gz	LRNUDPBKLOUTCH-CQSZACIVSA-N	2	1	385.346	2.982	10	0		GFAEMP
COCC[N@@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)cc1	ZINC000011844493	221132076	/nfs/dbraw/zinc/13/20/76/221132076.db2.gz	BZQIZCOULPVEJG-JOCHJYFZSA-N	2	1	384.520	2.563	10	0		GFAEMP
COCC[NH+](C)Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1	ZINC000011844493	221132078	/nfs/dbraw/zinc/13/20/78/221132078.db2.gz	BZQIZCOULPVEJG-JOCHJYFZSA-N	2	1	384.520	2.563	10	0		GFAEMP
COCC[NH+](C)Cc1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1	ZINC000011844493	221132082	/nfs/dbraw/zinc/13/20/82/221132082.db2.gz	BZQIZCOULPVEJG-JOCHJYFZSA-N	2	1	384.520	2.563	10	0		GFAEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)c2cccc(Br)c2)CC1	ZINC000170941924	551643568	/nfs/dbraw/zinc/64/35/68/551643568.db2.gz	LJBSFVYCWZUXDL-KDOFPFPSSA-N	2	1	385.346	2.507	10	0		GFAEMP
CSCC[NH2+]Cc1cccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1	ZINC000014958343	221321040	/nfs/dbraw/zinc/32/10/40/221321040.db2.gz	HUNRWHZOGRFMOE-OAQYLSRUSA-N	2	1	386.561	2.937	10	0		GFAEMP
c1ccc(C[N@H+]2CC[C@H](Nc3nc(-c4ccccn4)nc4c3CC[NH2+]C4)C2)cc1	ZINC000072128357	222209635	/nfs/dbraw/zinc/20/96/35/222209635.db2.gz	YNIJMORJDXJLQQ-SFHVURJKSA-N	2	1	386.503	2.871	10	0		GFAEMP
Cc1[nH+]c2ccc(Br)cc2c(NC[C@H](O)C[NH+]2CCOCC2)c1C	ZINC000301717184	563410869	/nfs/dbraw/zinc/41/08/69/563410869.db2.gz	HJKFUCUMESCMAM-HNNXBMFYSA-N	2	1	394.313	2.719	10	0		GFAEMP
C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Oc1ccc(Br)cc1	ZINC000261934797	553162677	/nfs/dbraw/zinc/16/26/77/553162677.db2.gz	MCTMVVNHXZONAZ-RNJTYBCJSA-N	2	1	383.330	2.963	10	0		GFAEMP
COc1cc(C[NH+]2CC(c3ccccn3)C2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C	ZINC000095521039	222346206	/nfs/dbraw/zinc/34/62/06/222346206.db2.gz	OHTHQVAKCADCJQ-FQEVSTJZSA-N	2	1	399.535	2.770	10	0		GFAEMP
COc1cc(C[NH+]2CC(c3ccccn3)C2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C	ZINC000095521039	222346209	/nfs/dbraw/zinc/34/62/09/222346209.db2.gz	OHTHQVAKCADCJQ-FQEVSTJZSA-N	2	1	399.535	2.770	10	0		GFAEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)CC1	ZINC000170941621	551643660	/nfs/dbraw/zinc/64/36/60/551643660.db2.gz	MFGRHQVFXAEQOK-CYBMUJFWSA-N	2	1	399.329	2.702	10	0		GFAEMP
O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000173880793	552095080	/nfs/dbraw/zinc/09/50/80/552095080.db2.gz	KOUXWDWPUCMATF-SJLPKXTDSA-N	2	1	397.357	2.997	10	0		GFAEMP
O[C@@H](COc1cccc(Br)c1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000173880793	552095083	/nfs/dbraw/zinc/09/50/83/552095083.db2.gz	KOUXWDWPUCMATF-SJLPKXTDSA-N	2	1	397.357	2.997	10	0		GFAEMP
COc1cc(C[NH+]2CC(c3ccccn3)C2)ccc1OC[C@H](O)C[N@H+](C)C(C)C	ZINC000095521040	222347063	/nfs/dbraw/zinc/34/70/63/222347063.db2.gz	OHTHQVAKCADCJQ-HXUWFJFHSA-N	2	1	399.535	2.770	10	0		GFAEMP
COc1cc(C[NH+]2CC(c3ccccn3)C2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C	ZINC000095521040	222347069	/nfs/dbraw/zinc/34/70/69/222347069.db2.gz	OHTHQVAKCADCJQ-HXUWFJFHSA-N	2	1	399.535	2.770	10	0		GFAEMP
CSCCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1	ZINC000011843808	221132013	/nfs/dbraw/zinc/13/20/13/221132013.db2.gz	KNGUHZSVEWZFAA-GOSISDBHSA-N	2	1	390.597	2.627	10	0		GFAEMP
CSCCC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1	ZINC000011843808	221132017	/nfs/dbraw/zinc/13/20/17/221132017.db2.gz	KNGUHZSVEWZFAA-GOSISDBHSA-N	2	1	390.597	2.627	10	0		GFAEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2ccccc2Br)CC1	ZINC000126664945	654818161	/nfs/dbraw/zinc/81/81/61/654818161.db2.gz	DIFYWBPXXWISKE-HNNXBMFYSA-N	2	1	385.346	2.853	10	0		GFAEMP
CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2cccc(Br)c2)C1	ZINC000246273781	553105066	/nfs/dbraw/zinc/10/50/66/553105066.db2.gz	WEOODWIEFXFROH-NVXWUHKLSA-N	2	1	385.346	2.853	10	0		GFAEMP
CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2cccc(Br)c2)C1	ZINC000246273781	553105067	/nfs/dbraw/zinc/10/50/67/553105067.db2.gz	WEOODWIEFXFROH-NVXWUHKLSA-N	2	1	385.346	2.853	10	0		GFAEMP
CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc(Br)c2)C1	ZINC000246273781	553105068	/nfs/dbraw/zinc/10/50/68/553105068.db2.gz	WEOODWIEFXFROH-NVXWUHKLSA-N	2	1	385.346	2.853	10	0		GFAEMP
CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc(Br)c2)C1	ZINC000246273781	553105069	/nfs/dbraw/zinc/10/50/69/553105069.db2.gz	WEOODWIEFXFROH-NVXWUHKLSA-N	2	1	385.346	2.853	10	0		GFAEMP
C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Oc1ccccc1Br	ZINC000261934872	553162666	/nfs/dbraw/zinc/16/26/66/553162666.db2.gz	MDLSGBGDBCKHBS-SRABZTEZSA-N	2	1	383.330	2.963	10	0		GFAEMP
Cc1cc(Br)cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1O	ZINC000180093844	655321839	/nfs/dbraw/zinc/32/18/39/655321839.db2.gz	JUNKKXAGYUHMFK-AWEZNQCLSA-N	2	1	385.346	2.988	10	0		GFAEMP
C[N@@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCc1c[nH]cn1)C1CCCCC1	ZINC000011935574	221138419	/nfs/dbraw/zinc/13/84/19/221138419.db2.gz	GQEITRZCGSXUMW-OAQYLSRUSA-N	2	1	386.540	2.746	10	0		GFAEMP
Cc1[nH+]c2ccc(Br)cc2c(NC[C@@H](O)C[NH+]2CCOCC2)c1C	ZINC000301717186	563411012	/nfs/dbraw/zinc/41/10/12/563411012.db2.gz	HJKFUCUMESCMAM-OAHLLOKOSA-N	2	1	394.313	2.719	10	0		GFAEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2ccccc2Br)CC1	ZINC000126665166	654818400	/nfs/dbraw/zinc/81/84/00/654818400.db2.gz	DIFYWBPXXWISKE-OAHLLOKOSA-N	2	1	385.346	2.853	10	0		GFAEMP
COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1OC	ZINC000261912115	553162155	/nfs/dbraw/zinc/16/21/55/553162155.db2.gz	JDHCDNBAQQHOFC-IMJJTQAJSA-N	2	1	399.329	2.713	10	0		GFAEMP
C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Oc1cccc(Br)c1	ZINC000261886611	553162176	/nfs/dbraw/zinc/16/21/76/553162176.db2.gz	FXXHSANVWZXIOI-RNJTYBCJSA-N	2	1	383.330	2.963	10	0		GFAEMP
C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Oc1cccc(Br)c1	ZINC000261886610	553162291	/nfs/dbraw/zinc/16/22/91/553162291.db2.gz	FXXHSANVWZXIOI-PILAGYSTSA-N	2	1	383.330	2.963	10	0		GFAEMP
CC(C)[NH+]1CCC([NH2+][C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)CC1	ZINC000012432157	204408849	/nfs/dbraw/zinc/40/88/49/204408849.db2.gz	LWBBJVHFZOAUCH-HXUWFJFHSA-N	2	1	387.572	2.525	10	0		GFAEMP
Cc1ccc(C[N@@H+]2CCc3c(cc(C(=O)NCC[NH+]4CCCC4)n3C)C2)cc1	ZINC000065210943	205219847	/nfs/dbraw/zinc/21/98/47/205219847.db2.gz	SOPGTQOLURLIJX-UHFFFAOYSA-N	2	1	380.536	2.717	10	0		GFAEMP
Cc1ccc(C[N@H+]2CCc3c(cc(C(=O)NCC[NH+]4CCCC4)n3C)C2)cc1	ZINC000065210943	205219850	/nfs/dbraw/zinc/21/98/50/205219850.db2.gz	SOPGTQOLURLIJX-UHFFFAOYSA-N	2	1	380.536	2.717	10	0		GFAEMP
O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000173880806	552095209	/nfs/dbraw/zinc/09/52/09/552095209.db2.gz	KOUXWDWPUCMATF-AEFFLSMTSA-N	2	1	397.357	2.997	10	0		GFAEMP
O[C@H](COc1cccc(Br)c1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000173880806	552095211	/nfs/dbraw/zinc/09/52/11/552095211.db2.gz	KOUXWDWPUCMATF-AEFFLSMTSA-N	2	1	397.357	2.997	10	0		GFAEMP
C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Oc1ccc(Br)cc1	ZINC000261934787	553163054	/nfs/dbraw/zinc/16/30/54/553163054.db2.gz	MCTMVVNHXZONAZ-BNEJOLLZSA-N	2	1	383.330	2.963	10	0		GFAEMP
Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)NCc3ncc[nH]3)CC2)CC1	ZINC000071774520	205296742	/nfs/dbraw/zinc/29/67/42/205296742.db2.gz	CCGXYSZWJLRPBZ-UHFFFAOYSA-N	2	1	395.551	2.711	10	0		GFAEMP
CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1cccc(Br)c1	ZINC000246495935	553108503	/nfs/dbraw/zinc/10/85/03/553108503.db2.gz	PQAHCVQTKMTRHS-IXDOHACOSA-N	2	1	383.330	2.747	10	0		GFAEMP
[NH3+]CCc1cc(=O)[nH]c(-c2ccc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)cc2)n1	ZINC000039489982	205042333	/nfs/dbraw/zinc/04/23/33/205042333.db2.gz	DFKOXSIKDWDMKN-OAHLLOKOSA-N	2	1	380.414	2.712	10	0		GFAEMP
O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000246210634	553104589	/nfs/dbraw/zinc/10/45/89/553104589.db2.gz	OVYMGNNANJXEBC-DOTOQJQBSA-N	2	1	383.330	2.607	10	0		GFAEMP
O[C@@H](COc1cccc(Br)c1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000246210634	553104592	/nfs/dbraw/zinc/10/45/92/553104592.db2.gz	OVYMGNNANJXEBC-DOTOQJQBSA-N	2	1	383.330	2.607	10	0		GFAEMP
C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3cccc(Br)c3)CC[C@@H]21	ZINC000248034553	553127087	/nfs/dbraw/zinc/12/70/87/553127087.db2.gz	REZAPSXVJFPVCJ-KYJSFNMBSA-N	2	1	383.330	2.605	10	0		GFAEMP
C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3cccc(Br)c3)CC[C@@H]21	ZINC000248034553	553127089	/nfs/dbraw/zinc/12/70/89/553127089.db2.gz	REZAPSXVJFPVCJ-KYJSFNMBSA-N	2	1	383.330	2.605	10	0		GFAEMP
C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3cccc(Br)c3)CC[C@@H]21	ZINC000248034553	553127091	/nfs/dbraw/zinc/12/70/91/553127091.db2.gz	REZAPSXVJFPVCJ-KYJSFNMBSA-N	2	1	383.330	2.605	10	0		GFAEMP
COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc(Br)c1OC	ZINC000262019131	553164862	/nfs/dbraw/zinc/16/48/62/553164862.db2.gz	WJQKVCYFWXJAAG-FVQBIDKESA-N	2	1	399.329	2.713	10	0		GFAEMP
Brc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)cc1	ZINC000261864304	655442784	/nfs/dbraw/zinc/44/27/84/655442784.db2.gz	CMOAXHVQNBUHBE-GDAAHCPNSA-N	2	1	394.357	2.775	10	0		GFAEMP
O=C(NCCC[N@H+]1CCc2ccccc2C1)C1CCN(c2cc[nH+]cc2)CC1	ZINC000046149868	570213373	/nfs/dbraw/zinc/21/33/73/570213373.db2.gz	WOJGJRYLRWNOHI-UHFFFAOYSA-N	2	1	378.520	2.863	10	0		GFAEMP
Cc1cc2ccccc2n1CCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1	ZINC000023339016	570321554	/nfs/dbraw/zinc/32/15/54/570321554.db2.gz	USQDVLLLBCYSDE-FQEVSTJZSA-N	2	1	382.552	2.872	10	0		GFAEMP
Cc1cc2ccccc2n1CCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1	ZINC000023339016	570321558	/nfs/dbraw/zinc/32/15/58/570321558.db2.gz	USQDVLLLBCYSDE-FQEVSTJZSA-N	2	1	382.552	2.872	10	0		GFAEMP
CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2cccc(Br)c2)C1	ZINC000246273773	553105082	/nfs/dbraw/zinc/10/50/82/553105082.db2.gz	WEOODWIEFXFROH-DOTOQJQBSA-N	2	1	385.346	2.853	10	0		GFAEMP
CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2cccc(Br)c2)C1	ZINC000246273773	553105083	/nfs/dbraw/zinc/10/50/83/553105083.db2.gz	WEOODWIEFXFROH-DOTOQJQBSA-N	2	1	385.346	2.853	10	0		GFAEMP
CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc(Br)c2)C1	ZINC000246273773	553105084	/nfs/dbraw/zinc/10/50/84/553105084.db2.gz	WEOODWIEFXFROH-DOTOQJQBSA-N	2	1	385.346	2.853	10	0		GFAEMP
CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc(Br)c2)C1	ZINC000246273773	553105085	/nfs/dbraw/zinc/10/50/85/553105085.db2.gz	WEOODWIEFXFROH-DOTOQJQBSA-N	2	1	385.346	2.853	10	0		GFAEMP
C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]C2CCOCC2)cc1	ZINC000020785569	207215738	/nfs/dbraw/zinc/21/57/38/207215738.db2.gz	WOXNEAPNLCYWLM-QFIPXVFZSA-N	2	1	384.520	2.827	10	0		GFAEMP
O=C(CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+]1CCCC1)N1CCC(O)CC1	ZINC000299784093	209088859	/nfs/dbraw/zinc/08/88/59/209088859.db2.gz	YVOOUDJDIQKALJ-JTHBVZDNSA-N	2	1	399.579	2.736	10	0		GFAEMP
O=C(CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+]1CCCC1)N1CCC(O)CC1	ZINC000299784093	209088861	/nfs/dbraw/zinc/08/88/61/209088861.db2.gz	YVOOUDJDIQKALJ-JTHBVZDNSA-N	2	1	399.579	2.736	10	0		GFAEMP
Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc(Br)c1	ZINC000178305827	552168481	/nfs/dbraw/zinc/16/84/81/552168481.db2.gz	TXBWXEFXUJWCKA-IRXDYDNUSA-N	2	1	394.313	2.858	10	0		GFAEMP
O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1	ZINC000172644528	551683541	/nfs/dbraw/zinc/68/35/41/551683541.db2.gz	OVYMGNNANJXEBC-NVXWUHKLSA-N	2	1	383.330	2.607	10	0		GFAEMP
O[C@@H](COc1cccc(Br)c1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1	ZINC000172644528	551683543	/nfs/dbraw/zinc/68/35/43/551683543.db2.gz	OVYMGNNANJXEBC-NVXWUHKLSA-N	2	1	383.330	2.607	10	0		GFAEMP
C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Oc1ccc(Br)cc1	ZINC000261934795	553162929	/nfs/dbraw/zinc/16/29/29/553162929.db2.gz	MCTMVVNHXZONAZ-PILAGYSTSA-N	2	1	383.330	2.963	10	0		GFAEMP
[NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nc(-c4ccncc4)cc(=O)[nH]3)cc2)C1	ZINC000048284576	570231258	/nfs/dbraw/zinc/23/12/58/570231258.db2.gz	SGWQMYTXVOICLV-KRWDZBQOSA-N	2	1	375.476	2.670	10	0		GFAEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(Br)cc3c2OCC3)CC1	ZINC000153868053	551462116	/nfs/dbraw/zinc/46/21/16/551462116.db2.gz	SLVSOZXIOPNTGP-AWEZNQCLSA-N	2	1	397.357	2.909	10	0		GFAEMP
C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3cccc(Br)c3)CC[C@H]21	ZINC000248034564	553127252	/nfs/dbraw/zinc/12/72/52/553127252.db2.gz	REZAPSXVJFPVCJ-UWWQBHOKSA-N	2	1	383.330	2.605	10	0		GFAEMP
C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)COc3cccc(Br)c3)CC[C@H]21	ZINC000248034564	553127256	/nfs/dbraw/zinc/12/72/56/553127256.db2.gz	REZAPSXVJFPVCJ-UWWQBHOKSA-N	2	1	383.330	2.605	10	0		GFAEMP
C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3cccc(Br)c3)CC[C@H]21	ZINC000248034564	553127257	/nfs/dbraw/zinc/12/72/57/553127257.db2.gz	REZAPSXVJFPVCJ-UWWQBHOKSA-N	2	1	383.330	2.605	10	0		GFAEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1	ZINC000106126319	655103810	/nfs/dbraw/zinc/10/38/10/655103810.db2.gz	TYFDEVLLMPJYEC-CYBMUJFWSA-N	2	1	388.339	2.957	10	0		GFAEMP
Brc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)cc1	ZINC000261864315	655442813	/nfs/dbraw/zinc/44/28/13/655442813.db2.gz	CMOAXHVQNBUHBE-KANFNMMFSA-N	2	1	394.357	2.775	10	0		GFAEMP
O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000247486394	553122701	/nfs/dbraw/zinc/12/27/01/553122701.db2.gz	KOUXWDWPUCMATF-WMZOPIPTSA-N	2	1	397.357	2.997	10	0		GFAEMP
O[C@H](COc1cccc(Br)c1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000247486394	553122703	/nfs/dbraw/zinc/12/27/03/553122703.db2.gz	KOUXWDWPUCMATF-WMZOPIPTSA-N	2	1	397.357	2.997	10	0		GFAEMP
CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000236961444	655425247	/nfs/dbraw/zinc/42/52/47/655425247.db2.gz	KXMAWTGMCJWVPY-CXAGYDPISA-N	2	1	382.346	2.903	10	0		GFAEMP
C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]C2CCOCC2)cc1	ZINC000020785565	207215116	/nfs/dbraw/zinc/21/51/16/207215116.db2.gz	WOXNEAPNLCYWLM-JOCHJYFZSA-N	2	1	384.520	2.827	10	0		GFAEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nc3cc(Br)ccc3[nH]2)CC1	ZINC000184967695	552349642	/nfs/dbraw/zinc/34/96/42/552349642.db2.gz	TZCTYYXVABCTAQ-CYBMUJFWSA-N	2	1	395.345	2.850	10	0		GFAEMP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc3ccc(Br)cc3[nH]2)CC1	ZINC000184967695	552349644	/nfs/dbraw/zinc/34/96/44/552349644.db2.gz	TZCTYYXVABCTAQ-CYBMUJFWSA-N	2	1	395.345	2.850	10	0		GFAEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nc3ccc(Br)cc3[nH]2)CC1	ZINC000184967695	552349646	/nfs/dbraw/zinc/34/96/46/552349646.db2.gz	TZCTYYXVABCTAQ-CYBMUJFWSA-N	2	1	395.345	2.850	10	0		GFAEMP
C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Oc1ccccc1Br	ZINC000261934875	553162901	/nfs/dbraw/zinc/16/29/01/553162901.db2.gz	MDLSGBGDBCKHBS-WTTBNOFXSA-N	2	1	383.330	2.963	10	0		GFAEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2Cl)CC1	ZINC000106126376	655103729	/nfs/dbraw/zinc/10/37/29/655103729.db2.gz	BLNICIXAMQUMRB-CYBMUJFWSA-N	2	1	388.339	2.957	10	0		GFAEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nc3cc(Br)ccc3[nH]2)CC1	ZINC000184967679	552349562	/nfs/dbraw/zinc/34/95/62/552349562.db2.gz	TZCTYYXVABCTAQ-ZDUSSCGKSA-N	2	1	395.345	2.850	10	0		GFAEMP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc3ccc(Br)cc3[nH]2)CC1	ZINC000184967679	552349565	/nfs/dbraw/zinc/34/95/65/552349565.db2.gz	TZCTYYXVABCTAQ-ZDUSSCGKSA-N	2	1	395.345	2.850	10	0		GFAEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nc3ccc(Br)cc3[nH]2)CC1	ZINC000184967679	552349567	/nfs/dbraw/zinc/34/95/67/552349567.db2.gz	TZCTYYXVABCTAQ-ZDUSSCGKSA-N	2	1	395.345	2.850	10	0		GFAEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)c2ccccc2Br)CC1	ZINC000152945159	551443233	/nfs/dbraw/zinc/44/32/33/551443233.db2.gz	QTMCMFPYLYCDFX-KDOFPFPSSA-N	2	1	385.346	2.507	10	0		GFAEMP
Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1	ZINC000261984278	553163993	/nfs/dbraw/zinc/16/39/93/553163993.db2.gz	RYSFKQLZPRZLQZ-ONIAQPFYSA-N	2	1	394.357	2.775	10	0		GFAEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2Cl)CC1	ZINC000106126374	655103832	/nfs/dbraw/zinc/10/38/32/655103832.db2.gz	BLNICIXAMQUMRB-ZDUSSCGKSA-N	2	1	388.339	2.957	10	0		GFAEMP
CC[NH+](CC)CCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1	ZINC000013734335	210085785	/nfs/dbraw/zinc/08/57/85/210085785.db2.gz	UFWNBANGMWGKFT-UHFFFAOYSA-N	2	1	379.545	2.810	10	0		GFAEMP
COc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1Br	ZINC000178609776	552173321	/nfs/dbraw/zinc/17/33/21/552173321.db2.gz	IJUSWWDSURQKRP-AWEZNQCLSA-N	2	1	385.346	2.982	10	0		GFAEMP
C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Oc1cccc(Br)c1	ZINC000261886609	553162108	/nfs/dbraw/zinc/16/21/08/553162108.db2.gz	FXXHSANVWZXIOI-BVPBIZIASA-N	2	1	383.330	2.963	10	0		GFAEMP
Cc1nccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc(Br)c1	ZINC000178305844	552168623	/nfs/dbraw/zinc/16/86/23/552168623.db2.gz	TXBWXEFXUJWCKA-SJORKVTESA-N	2	1	394.313	2.858	10	0		GFAEMP
O=S(=O)(N[C@H]1CC[N@H+](C2CCC2)C1)c1ccc(C[NH2+]C2CCCC2)cc1	ZINC000098178635	211379923	/nfs/dbraw/zinc/37/99/23/211379923.db2.gz	OUSAAZFJEMTFRH-SFHVURJKSA-N	2	1	377.554	2.624	10	0		GFAEMP
C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Oc1ccccc1Br	ZINC000261934869	553162921	/nfs/dbraw/zinc/16/29/21/553162921.db2.gz	MDLSGBGDBCKHBS-MUIFIZLQSA-N	2	1	383.330	2.963	10	0		GFAEMP
COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1OC	ZINC000261912118	553162248	/nfs/dbraw/zinc/16/22/48/553162248.db2.gz	JDHCDNBAQQHOFC-NUEKZKHPSA-N	2	1	399.329	2.713	10	0		GFAEMP
O=C(C[N@H+]1CCC[C@@H](C(F)(F)F)C1)N1CCN(Cc2cccs2)CC1	ZINC000170717227	551638101	/nfs/dbraw/zinc/63/81/01/551638101.db2.gz	WKKBYUHALAPAQV-CQSZACIVSA-N	2	1	375.460	2.667	10	0		GFAEMP
O=C(C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)N1CCN(Cc2cccs2)CC1	ZINC000170717227	551638102	/nfs/dbraw/zinc/63/81/02/551638102.db2.gz	WKKBYUHALAPAQV-CQSZACIVSA-N	2	1	375.460	2.667	10	0		GFAEMP
CN(C)Cc1ccc(CNc2ncnc3c2c(Br)nn3C)cc1F	ZINC000301889095	563414607	/nfs/dbraw/zinc/41/46/07/563414607.db2.gz	QIXLDCIOMPUNSP-UHFFFAOYSA-N	2	1	393.264	2.939	10	0		GFAEMP
CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2cccc(Br)c2)CC1	ZINC000171940588	551666627	/nfs/dbraw/zinc/66/66/27/551666627.db2.gz	FFFTXIWXHLQHSU-QGZVFWFLSA-N	2	1	385.346	2.995	10	0		GFAEMP
COc1ccc(Br)c(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1	ZINC000121106875	551227495	/nfs/dbraw/zinc/22/74/95/551227495.db2.gz	VVMMORMUNXTXHD-CQSZACIVSA-N	2	1	385.346	2.982	10	0		GFAEMP
COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1OC	ZINC000261912109	553162183	/nfs/dbraw/zinc/16/21/83/553162183.db2.gz	JDHCDNBAQQHOFC-BMFZPTHFSA-N	2	1	399.329	2.713	10	0		GFAEMP
COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc(Br)c1OC	ZINC000262019127	553164626	/nfs/dbraw/zinc/16/46/26/553164626.db2.gz	WJQKVCYFWXJAAG-BMFZPTHFSA-N	2	1	399.329	2.713	10	0		GFAEMP
Cc1ccc(C(=O)N2CCC([NH2+]C[C@]3(O)CCC[N@H+]4CCCC[C@@H]43)CC2)cc1	ZINC000063884600	222069357	/nfs/dbraw/zinc/06/93/57/222069357.db2.gz	GMRWUDXDYVDPSD-FYYLOGMGSA-N	2	1	385.552	2.569	10	0		GFAEMP
COc1cc(Br)ccc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000182176268	552277669	/nfs/dbraw/zinc/27/76/69/552277669.db2.gz	KNZMFMFKZDKGLG-CQSZACIVSA-N	2	1	385.346	2.982	10	0		GFAEMP
Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1	ZINC000261984274	553164134	/nfs/dbraw/zinc/16/41/34/553164134.db2.gz	RYSFKQLZPRZLQZ-CWLKWCNXSA-N	2	1	394.357	2.775	10	0		GFAEMP
COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc(Br)c1OC	ZINC000262019139	553164894	/nfs/dbraw/zinc/16/48/94/553164894.db2.gz	WJQKVCYFWXJAAG-NUEKZKHPSA-N	2	1	399.329	2.713	10	0		GFAEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(Br)cc3c2OCC3)CC1	ZINC000153868150	551462266	/nfs/dbraw/zinc/46/22/66/551462266.db2.gz	SLVSOZXIOPNTGP-CQSZACIVSA-N	2	1	397.357	2.909	10	0		GFAEMP
O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000246210642	553104534	/nfs/dbraw/zinc/10/45/34/553104534.db2.gz	OVYMGNNANJXEBC-RDJZCZTQSA-N	2	1	383.330	2.607	10	0		GFAEMP
O[C@H](COc1cccc(Br)c1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000246210642	553104539	/nfs/dbraw/zinc/10/45/39/553104539.db2.gz	OVYMGNNANJXEBC-RDJZCZTQSA-N	2	1	383.330	2.607	10	0		GFAEMP
Cc1nc(-c2cccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c2)[nH]c(=O)c1C	ZINC000067588673	222149268	/nfs/dbraw/zinc/14/92/68/222149268.db2.gz	KLBHKINSJRCSGE-UHFFFAOYSA-N	2	1	375.476	2.771	10	0		GFAEMP
CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc(Br)c2)C1	ZINC000247479462	553122976	/nfs/dbraw/zinc/12/29/76/553122976.db2.gz	JYLOYQXRSHAPSG-NVXWUHKLSA-N	2	1	385.346	2.853	10	0		GFAEMP
CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc(Br)c2)C1	ZINC000247479462	553122977	/nfs/dbraw/zinc/12/29/77/553122977.db2.gz	JYLOYQXRSHAPSG-NVXWUHKLSA-N	2	1	385.346	2.853	10	0		GFAEMP
COCC[NH2+]CCCn1c2nc[nH+]c(N)c2c(-c2ccc(C)cc2)c1C(=O)CF	ZINC000095570474	222355995	/nfs/dbraw/zinc/35/59/95/222355995.db2.gz	UPTQGXMIZXGVSC-UHFFFAOYSA-N	2	1	399.470	2.767	10	0		GFAEMP
COc1cc(Br)ccc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000182176247	552277619	/nfs/dbraw/zinc/27/76/19/552277619.db2.gz	KNZMFMFKZDKGLG-AWEZNQCLSA-N	2	1	385.346	2.982	10	0		GFAEMP
CCOc1cccc([C@H]2[NH2+][C@](CO)(Cc3ccc(O)cc3)[C@H]3C[N@H+](C)C[C@H]32)c1	ZINC000065488816	222131810	/nfs/dbraw/zinc/13/18/10/222131810.db2.gz	RYNOTAPGZXJFKC-ACESQOTJSA-N	2	1	382.504	2.587	10	0		GFAEMP
CCOc1cccc([C@H]2[NH2+][C@](CO)(Cc3ccc(O)cc3)[C@H]3C[N@@H+](C)C[C@H]32)c1	ZINC000065488816	222131813	/nfs/dbraw/zinc/13/18/13/222131813.db2.gz	RYNOTAPGZXJFKC-ACESQOTJSA-N	2	1	382.504	2.587	10	0		GFAEMP
Cc1[nH+]ccn1C[C@@H]1CCCN1[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000252802123	553150154	/nfs/dbraw/zinc/15/01/54/553150154.db2.gz	RHOAKWLYLYZYQP-JKSUJKDBSA-N	2	1	377.286	2.645	10	0		GFAEMP