COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000000591993	16/39/04/212163904	VKQFCGNPDRICFG-SFHVURJKSA-N	0	388.42	GG	3.202	0	Bother	ref	GGBARN	COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)[C@H]1c1ccccc1[N+](=O)[O-]	fda
O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1	ZINC000000643233	31/17/21/206311721	DKGZKTPJOSAWFA-UHFFFAOYSA-N	0	395.478	GG	3.217	3	Anodyne	high	GGAAHN	O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1	in-man
O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1	ZINC000000643233	31/17/18/206311718	DKGZKTPJOSAWFA-UHFFFAOYSA-N	1	395.478	GG	3.217	0	Anodyne	ref	GGAARO	O=C(CCC[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1	in-man
CC1(C)Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C(=O)O)CO1	ZINC000000751898	22/19/27/570221927	ATSWBWHRHAQVFM-UHFFFAOYSA-N	-1	390.486	GG	3.424	0	Anodyne	ref	GGAARM	CC1(C)Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C(=O)[O-])CO1	in-vitro
COc1cccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1O	ZINC000000793995	32/15/78/206321578	CENSVXZQMJBVHY-UHFFFAOYSA-N	0	391.474	GG	3.27	1	Clean	mid	GGCAMN	COc1cccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1O	in-vitro
COc1cccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1O	ZINC000000793995	32/15/72/206321572	CENSVXZQMJBVHY-UHFFFAOYSA-N	-1	391.474	GG	3.27	0	Clean	ref	GGCARM	COc1cccc(CNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1O	in-vitro
CS(=O)(=O)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21	ZINC000001213348	22/92/59/212229259	OQAFDLPAPSSOHY-INIZCTEOSA-N	0	398.484	GG	3.21	0	Anodyne	ref	GGAARN	CS(=O)(=O)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21	in-vitro
CS(=O)(=O)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21	ZINC000001213349	18/04/41/560180441	OQAFDLPAPSSOHY-MRXNPFEDSA-N	0	398.484	GG	3.21	0	Anodyne	ref	GGAARN	CS(=O)(=O)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21	in-vitro
C=C[C@@]1(C)CC(=O)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1	ZINC000001319840	26/10/40/206261040	ZKZMDXUDDJYAIB-SUCLLAFCSA-N	0	378.509	GG	3.434	0	Mild	ref	GGEARN	C=C[C@@]1(C)CC(=O)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1	in-vitro
Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	ZINC000001488870	38/43/90/206384390	INVTYAOGFAGBOE-UHFFFAOYSA-N	0	376.416	GG	3.343	0	Anodyne	ref	GGAARN	Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	investigational
C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O)C(=O)O	ZINC000001536201	38/57/44/206385744	DOBNVUFHFMVMDB-BEFAXECRSA-N	-2	383.444	GG	3.357	0	Anodyne	ref	GGAARL	C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)[O-])C(=O)[O-]	in-vitro
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O	ZINC000001543513	24/93/29/212249329	WDOGQTQEKVLZIJ-WAYWQWQTSA-N	-1	396.332	GG	3.363	2	Anodyne	low	GGAALM	COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O[P@](=O)([O-])O	investigational
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O	ZINC000001543513	24/93/25/212249325	WDOGQTQEKVLZIJ-WAYWQWQTSA-N	-1	396.332	GG	3.363	2	Anodyne	low	GGAALM	COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O[P@@](=O)([O-])O	investigational
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O	ZINC000001543513	24/93/20/212249320	WDOGQTQEKVLZIJ-WAYWQWQTSA-N	-2	396.332	GG	3.363	0	Anodyne	ref	GGAARL	COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)([O-])[O-]	investigational
C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	ZINC000001546066	16/89/55/209168955	AAKJLRGGTJKAMG-UHFFFAOYSA-N	0	393.443	GG	3.405	0	Mild	ref	GGEARN	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	fda
Cn1cc(C2=C(c3cn(CCCN)c4ccccc34)C(=O)NC2=O)c2ccccc21	ZINC000002011710	26/23/51/212262351	UQHKJRCFSLMWIA-UHFFFAOYSA-N	1	398.466	GG	3.049	0	Anodyne	ref	GGAARO	Cn1cc(C2=C(c3cn(CCC[NH3+])c4ccccc34)C(=O)NC2=O)c2ccccc21	in-vivo
NCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21	ZINC000002560261	36/95/76/209369576	APYXQTXFRIDSGE-UHFFFAOYSA-N	1	384.439	GG	3.039	0	Anodyne	ref	GGAARO	[NH3+]CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21	in-vivo
O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000002583785	14/62/99/212146299	JBYHBQIDTNHWJF-HXUWFJFHSA-N	-1	381.453	GG	3.328	0	Anodyne	ref	GGAARM	O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1	in-vitro
O=c1cc(N2CCN(c3cccc(Cl)c3)CC2)[nH]c(=O)n1C1CCCCC1	ZINC000002961221	18/85/01/560188501	CHMQQIFPOIZPIJ-UHFFFAOYSA-N	0	388.899	GG	3.022	0	Anodyne	ref	GGAARN	O=c1cc(N2CCN(c3cccc(Cl)c3)CC2)[nH]c(=O)n1C1CCCCC1	in-vitro
CC#CC[C@@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)O)c3O[C@H]2C[C@H]1O	ZINC000003776592	22/64/50/206226450	CTPOHARTNNSRSR-RQOXEBALSA-N	-1	398.499	GG	3.286	0	Mild	ref	GGEARM	CC#CC[C@@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)[O-])c3O[C@H]2C[C@H]1O	investigational
O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1CNNC(=O)Nc1ccccc1	ZINC000003794314	18/95/55/560189555	RJNDVCNWVBWHLY-YVUOLYODSA-N	-1	387.48	GG	3.308	0	Reactive	ref	GGGBRM	O=C([O-])CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1CNNC(=O)Nc1ccccc1	in-vitro
c1ccc(C(OC2CCN(CCCc3nnn[nH]3)CC2)c2ccccc2)cc1	ZINC000003810035	35/10/57/570351057	TZQGXAHOROZEKN-UHFFFAOYSA-N	0	377.492	GG	3.403	3	Anodyne	high	GGAAHN	c1ccc(C(OC2CC[NH+](CCCc3nnn[n-]3)CC2)c2ccccc2)cc1	in-vivo
c1ccc(C(OC2CCN(CCCc3nnn[nH]3)CC2)c2ccccc2)cc1	ZINC000003810035	35/10/51/570351051	TZQGXAHOROZEKN-UHFFFAOYSA-N	1	377.492	GG	3.403	0	Anodyne	ref	GGAARO	c1ccc(C(OC2CC[NH+](CCCc3nn[nH]n3)CC2)c2ccccc2)cc1	in-vivo
C/C1=C/C(=O)O[C@H]2C[C@@H](CC[C@@H](C)/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2	ZINC000003873079	19/09/73/560190973	NSHPHXHGRHSMIK-DWHBCVNYSA-N	0	395.521	GG	3.303	0	Anodyne	ref	GGABRN	C/C1=C/C(=O)O[C@H]2C[C@@H](CC[C@@H](C)/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2	in-vitro
O=C(O)c1cc(N(Cc2ccccc2O)Cc2cc(O)ccc2O)ccc1O	ZINC000003873083	66/88/85/220668885	ULTTYPMRMMDONC-UHFFFAOYSA-N	-1	381.384	GG	3.414	0	Clean	ref	GGCARM	O=C([O-])c1cc(N(Cc2ccccc2O)Cc2cc(O)ccc2O)ccc1O	in-vivo
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C	ZINC000003964325	49/70/79/206497079	WINHZLLDWRZWRT-ATVHPVEESA-N	1	398.482	GG	3.335	0	Anodyne	ref	GGAARO	CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C	fda
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN1CCCC1	ZINC000003989258	35/39/26/570353926	SRSGVKWWVXWSJT-ATVHPVEESA-N	0	396.466	GG	3.089	3	Anodyne	high	GGAAHN	Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN1CCCC1	in-man
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN1CCCC1	ZINC000003989258	35/39/23/570353923	SRSGVKWWVXWSJT-ATVHPVEESA-N	1	396.466	GG	3.089	0	Anodyne	ref	GGAARO	Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC[NH+]1CCCC1	in-man
O=C(O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21	ZINC000004521303	52/64/25/206526425	NJYVEMPWNAYQQN-UHFFFAOYSA-N	-1	376.32	GG	3.364	0	Anodyne	ref	GGAARM	O=C([O-])c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21	in-vitro
O=C(O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21	ZINC000004534389	19/85/50/560198550	BZTDTCNHAFUJOG-UHFFFAOYSA-N	-1	376.32	GG	3.364	0	Anodyne	ref	GGAARM	O=C([O-])c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21	in-vitro
C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2	ZINC000005751767	42/18/04/570421804	NSHPHXHGRHSMIK-JRIKCGFMSA-N	0	395.521	GG	3.303	0	Anodyne	ref	GGAARN	C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2	investigational
O=C(O)CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1	ZINC000006096224	92/07/25/220920725	HNPFPERDNWXAGS-MIDWJBHHSA-N	-1	390.52	GG	3.319	0	Anodyne	ref	GGAARM	O=C([O-])CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1	in-vitro
COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C	ZINC000008594565	20/96/61/560209661	LTUGYAOMCKNTGG-UHFFFAOYSA-N	0	394.475	GG	3.128	0	Anodyne	ref	GGAARN	COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C	in-vitro
CCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)NCCO	ZINC000012495776	67/49/57/570674957	DQLVVNIINUTUIU-XLFGVTECSA-N	0	379.541	GG	3.182	0	Anodyne	ref	GGABRN	CCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)NCCO	in-man endogenous
CC/C=C\C[C@H](O)/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)C/C=C\CCC(=O)O	ZINC000012496201	19/98/78/221199878	OIWTWACQMDFHJG-CCFUIAGSSA-N	-1	376.493	GG	3.461	0	Anodyne	ref	GGABRM	CC/C=C\C[C@H](O)/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)C/C=C\CCC(=O)[O-]	in-man endogenous
O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1	ZINC000013589949	07/06/85/210070685	YFHHIZGZVLHBQZ-KDACTHKWSA-N	-1	388.504	GG	3.095	0	Anodyne	ref	GGAARM	O=C([O-])CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1	in-vitro
O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)CCc1ccccc1	ZINC000013589950	21/99/98/560219998	YFHHIZGZVLHBQZ-MTDOSWCTSA-N	-1	388.504	GG	3.095	0	Anodyne	ref	GGAARM	O=C([O-])CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)CCc1ccccc1	in-vitro
O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1	ZINC000013589951	76/10/49/570761049	HNPFPERDNWXAGS-NFVOFSAMSA-N	-1	390.52	GG	3.319	0	Anodyne	ref	GGAARM	O=C([O-])CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1	in-vitro
CC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)O)c3O[C@H]2C[C@H]1O	ZINC000013671573	24/23/32/570242332	CTPOHARTNNSRSR-NOQAJONNSA-N	-1	398.499	GG	3.286	0	Mild	ref	GGEARM	CC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)[O-])c3O[C@H]2C[C@H]1O	investigational
O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1	ZINC000013815368	29/09/52/221290952	FOBVMYJQWZOGGJ-XYRJXBATSA-N	-1	386.488	GG	3.304	0	Anodyne	ref	GGAARM	O=C([O-])CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1	in-vitro
O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNNC(=O)Nc1ccccc1	ZINC000013815393	22/05/61/560220561	RJNDVCNWVBWHLY-GJQJTTGLSA-N	-1	387.48	GG	3.308	0	Reactive	ref	GGGBRM	O=C([O-])CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNNC(=O)Nc1ccccc1	in-vitro
CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1	ZINC000014163155	10/56/12/210105612	LRFKWQGGENFBFO-LJQANCHMSA-N	0	387.457	GG	3.321	2	Mild	low	GGEALN	CCCCCCCCc1ccc(CC[C@@]([NH3+])(CO)CO[P@](=O)([O-])O)cc1	in-vitro
CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1	ZINC000014163155	10/56/09/210105609	LRFKWQGGENFBFO-LJQANCHMSA-N	0	387.457	GG	3.321	2	Mild	low	GGEALN	CCCCCCCCc1ccc(CC[C@@]([NH3+])(CO)CO[P@@](=O)([O-])O)cc1	in-vitro
CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1	ZINC000014163155	10/56/05/210105605	LRFKWQGGENFBFO-LJQANCHMSA-N	-1	387.457	GG	3.321	0	Mild	ref	GGEARM	CCCCCCCCc1ccc(CC[C@@]([NH3+])(CO)COP(=O)([O-])[O-])cc1	in-vitro
CCCCCCCCc1ccc(CC[C@](N)(CO)COP(=O)(O)O)cc1	ZINC000014163159	10/62/47/210106247	LRFKWQGGENFBFO-IBGZPJMESA-N	0	387.457	GG	3.321	2	Mild	low	GGEALN	CCCCCCCCc1ccc(CC[C@]([NH3+])(CO)CO[P@](=O)([O-])O)cc1	in-vitro
CCCCCCCCc1ccc(CC[C@](N)(CO)COP(=O)(O)O)cc1	ZINC000014163159	10/62/43/210106243	LRFKWQGGENFBFO-IBGZPJMESA-N	0	387.457	GG	3.321	2	Mild	low	GGEALN	CCCCCCCCc1ccc(CC[C@]([NH3+])(CO)CO[P@@](=O)([O-])O)cc1	in-vitro
CCCCCCCCc1ccc(CC[C@](N)(CO)COP(=O)(O)O)cc1	ZINC000014163159	10/62/40/210106240	LRFKWQGGENFBFO-IBGZPJMESA-N	-1	387.457	GG	3.321	0	Mild	ref	GGEARM	CCCCCCCCc1ccc(CC[C@]([NH3+])(CO)COP(=O)([O-])[O-])cc1	in-vitro
Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Cl	ZINC000014974449	03/74/59/207037459	JLIRVZVVCCIAKG-UHFFFAOYSA-N	-2	389.839	GG	3.304	3	Anodyne	high	GGAAHL	[O-]c1cc([O-])c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Cl	in-vivo
Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Cl	ZINC000014974449	03/74/56/207037456	JLIRVZVVCCIAKG-UHFFFAOYSA-N	1	389.839	GG	3.304	2	Anodyne	low	GGAALO	Oc1cc(O)c(-c2noc3ccc(NCC[NH+]4CCOCC4)cc23)cc1Cl	in-vivo
Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Cl	ZINC000014974449	03/74/51/207037451	JLIRVZVVCCIAKG-UHFFFAOYSA-N	-1	389.839	GG	3.304	1	Anodyne	mid	GGAAMM	[O-]c1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Cl	in-vivo
Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Cl	ZINC000014974449	03/74/46/207037446	JLIRVZVVCCIAKG-UHFFFAOYSA-N	0	389.839	GG	3.304	0	Anodyne	ref	GGAARN	Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Cl	in-vivo
O=C(O)COCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000019364229	11/82/23/207118223	ZKLPARSLTMPFCP-NRFANRHFSA-N	0	388.895	GG	3.148	2	Anodyne	low	GGAALN	O=C([O-])COCCN1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	fda
O=C(O)COCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000019364229	11/82/21/207118221	ZKLPARSLTMPFCP-NRFANRHFSA-N	0	388.895	GG	3.148	1	Anodyne	mid	GGAAMN	O=C([O-])COCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	fda
O=C(O)COCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000019364229	11/82/17/207118217	ZKLPARSLTMPFCP-NRFANRHFSA-N	-1	388.895	GG	3.148	0	Anodyne	ref	GGAARM	O=C([O-])COCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	fda
O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000019364230	11/80/01/207118001	ZKLPARSLTMPFCP-OAQYLSRUSA-N	0	388.895	GG	3.148	2	Anodyne	low	GGAALN	O=C([O-])COCCN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	fda
O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000019364230	11/80/00/207118000	ZKLPARSLTMPFCP-OAQYLSRUSA-N	0	388.895	GG	3.148	1	Anodyne	mid	GGAAMN	O=C([O-])COCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	fda
O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000019364230	11/79/96/207117996	ZKLPARSLTMPFCP-OAQYLSRUSA-N	-1	388.895	GG	3.148	0	Anodyne	ref	GGAARM	O=C([O-])COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	fda
COc1ccccc1N1CCN(C[C@@H](O)COc2cccc3ccccc23)CC1	ZINC000019632696	14/30/52/207143052	HRRBJVNMSRJFHQ-HXUWFJFHSA-N	1	392.499	GG	3.41	1	Anodyne	mid	GGAAMO	COc1ccccc1N1CC[NH+](C[C@@H](O)COc2cccc3ccccc23)CC1	world
COc1ccccc1N1CCN(C[C@@H](O)COc2cccc3ccccc23)CC1	ZINC000019632696	14/30/46/207143046	HRRBJVNMSRJFHQ-HXUWFJFHSA-N	0	392.499	GG	3.41	0	Anodyne	ref	GGAARN	COc1ccccc1N1CCN(C[C@@H](O)COc2cccc3ccccc23)CC1	world
COc1ccccc1N1CCN(C[C@H](O)COc2cccc3ccccc23)CC1	ZINC000019632700	27/81/48/210278148	HRRBJVNMSRJFHQ-FQEVSTJZSA-N	1	392.499	GG	3.41	1	Anodyne	mid	GGAAMO	COc1ccccc1N1CC[NH+](C[C@H](O)COc2cccc3ccccc23)CC1	world
COc1ccccc1N1CCN(C[C@H](O)COc2cccc3ccccc23)CC1	ZINC000019632700	27/81/43/210278143	HRRBJVNMSRJFHQ-FQEVSTJZSA-N	0	392.499	GG	3.41	0	Anodyne	ref	GGAARN	COc1ccccc1N1CCN(C[C@H](O)COc2cccc3ccccc23)CC1	world
CC/C=C\C[C@@H](O)/C=C/C=C/C=C\C=C/[C@@H](O)[C@@H](O)C/C=C\CCC(=O)O	ZINC000027639594	43/77/79/570437779	OIWTWACQMDFHJG-YCKAKSHDSA-N	-1	376.493	GG	3.461	0	Anodyne	ref	GGABRM	CC/C=C\C[C@@H](O)/C=C/C=C/C=C\C=C/[C@@H](O)[C@@H](O)C/C=C\CCC(=O)[O-]	in-vitro
CC/C=C\C[C@@H](O)/C=C/C=C/C=C\C=C/[C@@H](O)[C@H](O)C/C=C\CCC(=O)O	ZINC000027639599	32/93/40/207329340	OIWTWACQMDFHJG-BCLKHDHFSA-N	-1	376.493	GG	3.461	0	Anodyne	ref	GGABRM	CC/C=C\C[C@@H](O)/C=C/C=C/C=C\C=C/[C@@H](O)[C@H](O)C/C=C\CCC(=O)[O-]	in-vitro
O=C(O)CCC/C=C\C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)CCc1ccccc1	ZINC000027642009	43/80/07/570438007	YFHHIZGZVLHBQZ-NIJACDJUSA-N	-1	388.504	GG	3.095	0	Anodyne	ref	GGABRM	O=C([O-])CCC/C=C\C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)CCc1ccccc1	in-vitro
O=C(O)CCC/C=C\C[C@@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)CCc1ccccc1	ZINC000027642015	43/77/26/570437726	YFHHIZGZVLHBQZ-QRIWVODZSA-N	-1	388.504	GG	3.095	0	Anodyne	ref	GGABRM	O=C([O-])CCC/C=C\C[C@@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)CCc1ccccc1	in-vitro
O=C(O)CCC/C=C\C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1	ZINC000027645872	32/86/82/207328682	YFHHIZGZVLHBQZ-NWJGOFAASA-N	-1	388.504	GG	3.095	0	Anodyne	ref	GGABRM	O=C([O-])CCC/C=C\C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1	in-vitro
CC/C=C\C[C@H](O)/C=C/C=C/C=C\C=C/[C@@H](O)[C@@H](O)C/C=C\CCC(=O)O	ZINC000027647296	43/80/42/570438042	OIWTWACQMDFHJG-CFFOKQHJSA-N	-1	376.493	GG	3.461	0	Anodyne	ref	GGABRM	CC/C=C\C[C@H](O)/C=C/C=C/C=C\C=C/[C@@H](O)[C@@H](O)C/C=C\CCC(=O)[O-]	in-vitro
CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)[C@@H]1C	ZINC000033359422	52/58/78/570525878	DTEKTGDVSARYDS-NSHDSACASA-N	-1	391.422	GG	3.421	3	Anodyne	high	GGAAHM	CC(C)CCN1c2nc(Nc3cc(F)c([O-])c(F)c3)ncc2N(C)C(=O)[C@@H]1C	in-vitro
CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)[C@@H]1C	ZINC000033359422	52/58/76/570525876	DTEKTGDVSARYDS-NSHDSACASA-N	0	391.422	GG	3.421	0	Anodyne	ref	GGAARN	CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)[C@@H]1C	in-vitro
CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)[C@H]1C	ZINC000033359423	52/59/05/570525905	DTEKTGDVSARYDS-LLVKDONJSA-N	-1	391.422	GG	3.421	3	Anodyne	high	GGAAHM	CC(C)CCN1c2nc(Nc3cc(F)c([O-])c(F)c3)ncc2N(C)C(=O)[C@H]1C	in-vitro
CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)[C@H]1C	ZINC000033359423	52/59/03/570525903	DTEKTGDVSARYDS-LLVKDONJSA-N	0	391.422	GG	3.421	0	Anodyne	ref	GGAARN	CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)[C@H]1C	in-vitro
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(C)C	ZINC000033820482	42/10/65/570421065	QGAWKBHDDFBNMX-GWSKAPOCSA-N	0	381.557	GG	3.047	0	Anodyne	ref	GGAARN	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(C)C	in-vitro
O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1	ZINC000033955165	53/03/21/570530321	YFHHIZGZVLHBQZ-ZZRMWQKHSA-N	-1	388.504	GG	3.095	0	Anodyne	ref	GGABRM	O=C([O-])CCC/C=C\C[C@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1	in-vitro
O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)CCc1ccccc1	ZINC000033955166	96/97/79/204969779	YFHHIZGZVLHBQZ-DHYICTOFSA-N	-1	388.504	GG	3.095	0	Anodyne	ref	GGABRM	O=C([O-])CCC/C=C\C[C@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)CCc1ccccc1	in-vitro
CC/C=C\C[C@H](O)[C@H](O)/C=C/C=C/C=C\C=C\[C@@H](O)C/C=C\CCC(=O)O	ZINC000034524887	54/15/68/570541568	IKFAUGXNBOBQDM-XFMPMKITSA-N	-1	376.493	GG	3.461	0	Anodyne	ref	GGABRM	CC/C=C\C[C@H](O)[C@H](O)/C=C/C=C/C=C\C=C\[C@@H](O)C/C=C\CCC(=O)[O-]	in-vitro
CC/C=C\C[C@@H](O)/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)C/C=C\CCC(=O)O	ZINC000035328245	35/85/04/570358504	OIWTWACQMDFHJG-BJEBZIPWSA-N	-1	376.493	GG	3.461	0	Anodyne	ref	GGABRM	CC/C=C\C[C@@H](O)/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)C/C=C\CCC(=O)[O-]	in-vitro
C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000035793636	44/90/29/570449029	JNGVJMBLXIUVRD-SFHVURJKSA-N	0	389.333	GG	3.217	0	Mild	ref	GGEARN	C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	investigational
CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2	ZINC000035801098	55/83/30/570558330	QZZUEBNBZAPZLX-QFIPXVFZSA-N	0	392.499	GG	3.149	3	Anodyne	high	GGAAHN	CCc1cc2c(cc1CC)CC([NH2+]C[C@H](O)c1ccc([O-])c3[nH]c(=O)ccc13)C2	fda
CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2	ZINC000035801098	55/83/25/570558325	QZZUEBNBZAPZLX-QFIPXVFZSA-N	1	392.499	GG	3.149	0	Anodyne	ref	GGAARO	CCc1cc2c(cc1CC)CC([NH2+]C[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2	fda
C=C[C@@]1(C)CC(=O)[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1	ZINC000038337300	29/94/75/519299475	ZKZMDXUDDJYAIB-HCTIHVIFSA-N	0	378.509	GG	3.434	0	Mild	ref	GGEARN	C=C[C@@]1(C)CC(=O)[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1	in-vitro
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(C(C)(C)C)n1	ZINC000043206649	62/61/85/570626185	HBPXWEPKNBHKAX-NSHDSACASA-N	0	393.538	GG	3.354	0	Anodyne	ref	GGAARN	Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(C(C)(C)C)n1	in-vitro
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCC	ZINC000043772165	96/91/74/570969174	HLETUMXUCSCVPL-GWSKAPOCSA-N	0	381.557	GG	3.094	0	Anodyne	ref	GGAARN	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCC	in-vitro
O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C(=O)CCc1ccccc1	ZINC000043772338	96/91/84/570969184	HHEYLKRDELKWGI-RKJYIPPQSA-N	-1	386.488	GG	3.304	0	Mild	ref	GGEARM	O=C([O-])CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C(=O)CCc1ccccc1	in-vitro
O=C(O)CCC/C=C\C[C@@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1	ZINC000043772650	63/05/87/570630587	YFHHIZGZVLHBQZ-IYZJHRCXSA-N	-1	388.504	GG	3.095	0	Anodyne	ref	GGABRM	O=C([O-])CCC/C=C\C[C@@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1	in-vitro
O=C(O)CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@H](O)CCc1ccccc1	ZINC000043898842	63/11/81/570631181	HNPFPERDNWXAGS-PEWPPZROSA-N	-1	390.52	GG	3.319	0	Anodyne	ref	GGAARM	O=C([O-])CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@H](O)CCc1ccccc1	in-vitro
O=C(O)CCC/C=C/C[C@H]1[C@@H](O)C[C@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1	ZINC000043898846	63/12/25/570631225	HNPFPERDNWXAGS-ADAUWFJISA-N	-1	390.52	GG	3.319	0	Anodyne	ref	GGABRM	O=C([O-])CCC/C=C/C[C@H]1[C@@H](O)C[C@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1	in-vitro
O=C(O)CCC/C=C/C[C@H]1[C@@H](O)C[C@H](O)[C@@H]1CC[C@H](O)CCc1ccccc1	ZINC000043898850	63/12/07/570631207	HNPFPERDNWXAGS-PSIUPNICSA-N	-1	390.52	GG	3.319	0	Anodyne	ref	GGABRM	O=C([O-])CCC/C=C/C[C@H]1[C@@H](O)C[C@H](O)[C@@H]1CC[C@H](O)CCc1ccccc1	in-vitro
O=C(O)CCC/C=C\C[C@@H]1[C@H](O)CC(=O)[C@@H]1/C=C/[C@H](O)CCc1ccccc1	ZINC000044606638	08/71/38/205087138	OAQGPAZDRCBBLD-UFMFLRBSSA-N	-1	386.488	GG	3.304	0	Anodyne	ref	GGABRM	O=C([O-])CCC/C=C\C[C@@H]1[C@H](O)CC(=O)[C@@H]1/C=C/[C@H](O)CCc1ccccc1	in-vitro
O=C(CCCCCCC(=O)Nc1ccc(I)cc1)NO	ZINC000049073018	54/83/50/564548350	BYVHZKAHBXINPL-UHFFFAOYSA-N	-1	390.221	GG	3.076	3	Mild	high	GGEAHM	O=C(CCCCCCC(=O)Nc1ccc(I)cc1)N[O-]	in-vitro
O=C(CCCCCCC(=O)Nc1ccc(I)cc1)NO	ZINC000049073018	54/83/42/564548342	BYVHZKAHBXINPL-UHFFFAOYSA-N	0	390.221	GG	3.076	0	Mild	ref	GGEARN	O=C(CCCCCCC(=O)Nc1ccc(I)cc1)NO	in-vitro
COc1cc2c(cc1OC)CN(C(=O)[C@@H](NCc1ccncc1)C(C)(C)C)CC2	ZINC000052607342	00/61/78/222006178	COFVZFLCAOUMJT-OAQYLSRUSA-N	0	397.519	GG	3.188	3	Anodyne	high	GGAAHN	COc1cc2c(cc1OC)CN(C(=O)[C@@H](NCc1ccncc1)C(C)(C)C)CC2	in-vitro
COc1cc2c(cc1OC)CN(C(=O)[C@@H](NCc1ccncc1)C(C)(C)C)CC2	ZINC000052607342	00/61/73/222006173	COFVZFLCAOUMJT-OAQYLSRUSA-N	1	397.519	GG	3.188	0	Anodyne	ref	GGAARO	COc1cc2c(cc1OC)CN(C(=O)[C@@H]([NH2+]Cc1ccncc1)C(C)(C)C)CC2	in-vitro
O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000052716421	67/31/89/570673189	PPRRDFIXUUSXRA-UHFFFAOYSA-N	1	390.409	GG	3.171	1	Anodyne	mid	GGAAMO	O=c1[nH]c2ccccc2n1CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	fda
O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000052716421	67/31/86/570673186	PPRRDFIXUUSXRA-UHFFFAOYSA-N	0	390.409	GG	3.171	0	Anodyne	ref	GGAARN	O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1	fda
Cc1[nH]c2ccccc2c1C1=C(NCCc2ccc(F)cc2)C(=O)N(C)C1=O	ZINC000059086693	05/58/33/222055833	ZKJAZFUFPPSFCO-UHFFFAOYSA-N	0	377.419	GG	3.157	0	Anodyne	ref	GGAARN	Cc1[nH]c2ccccc2c1C1=C(NCCc2ccc(F)cc2)C(=O)N(C)C1=O	in-vitro
O=C(O)CCC/C=C\C[C@@H]1[C@H](O)CC(=O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1	ZINC000064857725	75/65/40/570756540	OAQGPAZDRCBBLD-ZTNLYVMMSA-N	-1	386.488	GG	3.304	0	Anodyne	ref	GGABRM	O=C([O-])CCC/C=C\C[C@@H]1[C@H](O)CC(=O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1	in-vitro
O=C(O)CCC/C=C\C[C@H]1[C@H](O)CC(=O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1	ZINC000064857728	75/65/82/570756582	OAQGPAZDRCBBLD-SBBZJVNUSA-N	-1	386.488	GG	3.304	0	Anodyne	ref	GGABRM	O=C([O-])CCC/C=C\C[C@H]1[C@H](O)CC(=O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1	in-vitro
O=C(O)CCC/C=C\C[C@H]1[C@H](O)CC(=O)[C@@H]1/C=C/[C@H](O)CCc1ccccc1	ZINC000064857730	19/85/89/205198589	OAQGPAZDRCBBLD-APAFODMISA-N	-1	386.488	GG	3.304	0	Anodyne	ref	GGABRM	O=C([O-])CCC/C=C\C[C@H]1[C@H](O)CC(=O)[C@@H]1/C=C/[C@H](O)CCc1ccccc1	in-vitro
Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1	ZINC000064857905	08/46/42/222084642	WXHHICFWKXDFOW-BJMVGYQFSA-N	0	390.418	GG	3.385	0	Anodyne	ref	GGAARN	Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1	in-vitro
CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCC	ZINC000064859171	19/75/26/205197526	IYZNFEULIFISHM-OGWYLLAHSA-N	0	395.584	GG	3.485	0	Anodyne	ref	GGAARN	CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCC	in-vitro