COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1O	ZINC000000001412	31/73/84/471317384	KLAOKWJLUQKWIF-UHFFFAOYSA-N	-1	344.319	EF	2.897	3	Anodyne	high	EFAAHM	COc1ccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)cc1O	in-vitro biogenic
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1O	ZINC000000001412	31/73/80/471317380	KLAOKWJLUQKWIF-UHFFFAOYSA-N	-1	344.319	EF	2.897	1	Anodyne	mid	EFAAMM	COc1ccc(-c2cc(=O)c3c([O-])c(OC)c(OC)cc3o2)cc1O	in-vitro biogenic
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1O	ZINC000000001412	31/73/73/471317373	KLAOKWJLUQKWIF-UHFFFAOYSA-N	0	344.319	EF	2.897	0	Anodyne	ref	EFAARN	COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1O	in-vitro biogenic
CC(=O)Oc1ccccc1C(=O)Oc1cccc(CO[N+](=O)[O-])c1	ZINC000000022315	55/09/31/208550931	IOJUJUOXKXMJNF-UHFFFAOYSA-N	0	331.28	EF	2.539	0	Anodyne	ref	EFAARN	CC(=O)Oc1ccccc1C(=O)Oc1cccc(CO[N+](=O)[O-])c1	investigational
Cc1ccc(S(=O)(=O)CC(=O)c2cc3ccccc3oc2=O)cc1	ZINC000000057832	39/27/74/209392774	HAEMGKCRROSTPM-UHFFFAOYSA-N	0	342.372	EF	2.758	0	Anodyne	ref	EFAARN	Cc1ccc(S(=O)(=O)CC(=O)c2cc3ccccc3oc2=O)cc1	 
CCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F	ZINC000000082524	32/06/07/471320607	QNUASRIZVSLLGS-UHFFFAOYSA-N	0	329.234	EF	2.976	0	Bother	ref	EFBARN	CCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F	 
COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C	ZINC000000135449	10/25/40/274102540	LZJRNLRASBVRRX-ZDUSSCGKSA-N	1	327.38	EF	2.867	1	Anodyne	mid	EFAAMO	COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CC[N@@H+]1C	in-man endogenous
COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C	ZINC000000135449	10/25/38/274102538	LZJRNLRASBVRRX-ZDUSSCGKSA-N	1	327.38	EF	2.867	1	Anodyne	mid	EFAAMO	COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CC[N@H+]1C	in-man endogenous
COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C	ZINC000000135449	10/25/32/274102532	LZJRNLRASBVRRX-ZDUSSCGKSA-N	0	327.38	EF	2.867	0	Anodyne	ref	EFAARN	COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C	in-man endogenous
O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CCNCC1)C1CC1	ZINC000000154350	32/92/49/471329249	NQBHDSLGAKITFX-UHFFFAOYSA-N	1	348.39	EF	2.611	0	Anodyne	ref	EFAARO	O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CC[NH2+]CC1)C1CC1	 
NNc1ncc(C(=O)OCc2ccc(Cl)cc2)c(C(F)(F)F)n1	ZINC000000160005	32/96/72/471329672	GAZJHYLRVKLLFC-UHFFFAOYSA-N	0	346.696	EF	2.791	1	Anodyne	mid	EFAAMN	NNc1ncc(C(=O)OCc2ccc(Cl)cc2)c(C(F)(F)F)n1	 
NNc1ncc(C(=O)OCc2ccc(Cl)cc2)c(C(F)(F)F)n1	ZINC000000160005	32/96/68/471329668	GAZJHYLRVKLLFC-UHFFFAOYSA-N	-1	346.696	EF	2.791	1	Anodyne	mid	EFAAMM	NN=c1nc(C(F)(F)F)c(C(=O)OCc2ccc(Cl)cc2)c[n-]1	 
NNc1ncc(C(=O)OCc2ccc(Cl)cc2)c(C(F)(F)F)n1	ZINC000000160005	32/96/61/471329661	GAZJHYLRVKLLFC-UHFFFAOYSA-N	-1	346.696	EF	2.791	0	Anodyne	ref	EFAARM	NN=c1ncc(C(=O)OCc2ccc(Cl)cc2)c(C(F)(F)F)[n-]1	 
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2)c(O)c1	ZINC000000517415	36/75/38/471367538	GODLCSLPZIBRMG-UHFFFAOYSA-N	-1	332.308	EF	2.641	0	Anodyne	ref	EFAARM	COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)[O-])c(O)c2)c(O)c1	in-vitro biogenic
COc1ccc(CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1	ZINC000001576252	39/33/00/471393300	VRTXRNJMNFVTOM-CYBMUJFWSA-N	-1	341.429	EF	2.906	0	Anodyne	ref	EFAARM	COc1ccc(CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1	 
O=C1C(Cl)=C(Cl)C(=O)N1c1c(F)c(F)c(F)c(F)c1F	ZINC000001616844	78/01/79/284780179	QQUWZXNLBVBCLD-UHFFFAOYSA-N	0	332.011	EF	2.944	0	Anodyne	ref	EFAARN	O=C1C(Cl)=C(Cl)C(=O)N1c1c(F)c(F)c(F)c(F)c1F	 
COc1cc(-c2oc3cc(O)ccc3c(=O)c2O)cc(OC)c1OC	ZINC000002146994	40/24/82/471402482	NJNGYVOYOVPWBB-UHFFFAOYSA-N	0	344.319	EF	2.897	2	Anodyne	low	EFAALN	COc1cc(-c2oc3cc(O)ccc3c(=O)c2O)cc(OC)c1OC	 
COc1cc(-c2oc3cc(O)ccc3c(=O)c2O)cc(OC)c1OC	ZINC000002146994	40/24/73/471402473	NJNGYVOYOVPWBB-UHFFFAOYSA-N	0	344.319	EF	2.897	0	Anodyne	ref	EFAARN	COc1cc(-c2oc3cc([O-])ccc3c(=O)c2O)cc(OC)c1OC	 
CC(C)(C)OC(=O)N[C@@H](CCC(=O)OC1CCCCC1)C(=O)O	ZINC000002539203	04/98/17/258049817	FDNMLANBNJDIRG-LBPRGKRZSA-N	-1	329.393	EF	2.62	0	Anodyne	ref	EFAARM	CC(C)(C)OC(=O)N[C@@H](CCC(=O)OC1CCCCC1)C(=O)[O-]	 
CC(C)(C)OC(=O)N[C@H](CCC(=O)OC1CCCCC1)C(=O)O	ZINC000002555005	41/13/36/471411336	FDNMLANBNJDIRG-GFCCVEGCSA-N	-1	329.393	EF	2.62	0	Anodyne	ref	EFAARM	CC(C)(C)OC(=O)N[C@H](CCC(=O)OC1CCCCC1)C(=O)[O-]	 
CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1	ZINC000002556716	41/18/81/471411881	HDKMHRCLLPAOCC-KRWDZBQOSA-N	0	343.379	EF	2.793	0	Anodyne	ref	EFAARN	CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1	in-vitro biogenic
CCOC(=O)C(C(=O)OCC)c1ncc(C(F)(F)F)cc1Cl	ZINC000002559828	41/09/17/471410917	VRPNAVYQHJYROG-UHFFFAOYSA-N	0	339.697	EF	2.964	0	Anodyne	ref	EFAARN	CCOC(=O)C(C(=O)OCC)c1ncc(C(F)(F)F)cc1Cl	 
COc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(OC)c1OC	ZINC000002566161	41/10/45/471411045	CTALFFOVOLJORS-CYBMUJFWSA-N	-1	346.335	EF	2.83	1	Anodyne	mid	EFABMM	COc1cc([C@H]2CC(=O)c3c(O)cc([O-])cc3O2)cc(OC)c1OC	 
COc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(OC)c1OC	ZINC000002566161	41/10/41/471411041	CTALFFOVOLJORS-CYBMUJFWSA-N	0	346.335	EF	2.83	0	Anodyne	ref	EFABRN	COc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(OC)c1OC	 
O=C(O)C[C@H](NC(=O)C(F)(F)F)c1ccc(Br)s1	ZINC000002580721	41/13/84/471411384	XEBOCMNQLRLDOT-BYPYZUCNSA-N	-1	346.124	EF	2.705	2	Anodyne	low	EFAALM	O=C([O-])C[C@H](NC(=O)C(F)(F)F)c1ccc(Br)s1	 
O=C(O)C[C@H](NC(=O)C(F)(F)F)c1ccc(Br)s1	ZINC000002580721	41/13/74/471411374	XEBOCMNQLRLDOT-BYPYZUCNSA-N	-2	346.124	EF	2.705	0	Anodyne	ref	EFAARL	O=C([O-])C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(Br)s1	 
CC(=O)Oc1ccccc1C(=O)Oc1ccc(CO[N+](=O)[O-])cc1	ZINC000003818815	07/66/56/210076656	CTHNKWFUDCMLIQ-UHFFFAOYSA-N	0	331.28	EF	2.539	0	Anodyne	ref	EFAARN	CC(=O)Oc1ccccc1C(=O)Oc1ccc(CO[N+](=O)[O-])cc1	in-vitro
O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O	ZINC000003869855	81/97/24/304819724	DOBMPNYZJYQDGZ-UHFFFAOYSA-N	-2	336.299	EF	2.901	0	Anodyne	ref	EFAARL	O=c1oc2ccccc2c([O-])c1Cc1c([O-])c2ccccc2oc1=O	world
O=C(O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21	ZINC000003881708	45/67/55/471456755	AADVZSXPNRLYLV-GKMXPDSGSA-N	0	340.423	EF	2.559	1	Anodyne	mid	EFAAMN	O=C([O-])[C@H]1[C@@H](O)CC[C@H]2C[N@H+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21	in-man
O=C(O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21	ZINC000003881708	45/67/48/471456748	AADVZSXPNRLYLV-GKMXPDSGSA-N	0	340.423	EF	2.559	1	Anodyne	mid	EFAAMN	O=C([O-])[C@H]1[C@@H](O)CC[C@H]2C[N@@H+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21	in-man
O=C(O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21	ZINC000003881708	45/67/35/471456735	AADVZSXPNRLYLV-GKMXPDSGSA-N	-1	340.423	EF	2.559	0	Anodyne	ref	EFAARM	O=C([O-])[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21	in-man
O=C(O)C[C@@H](NC(=O)C(F)(F)F)c1ccc(Br)s1	ZINC000003884487	45/64/43/471456443	XEBOCMNQLRLDOT-SCSAIBSYSA-N	-1	346.124	EF	2.705	2	Anodyne	low	EFAALM	O=C([O-])C[C@@H](NC(=O)C(F)(F)F)c1ccc(Br)s1	 
O=C(O)C[C@@H](NC(=O)C(F)(F)F)c1ccc(Br)s1	ZINC000003884487	45/64/30/471456430	XEBOCMNQLRLDOT-SCSAIBSYSA-N	-2	346.124	EF	2.705	0	Anodyne	ref	EFAARL	O=C([O-])C[C@@H]([N-]C(=O)C(F)(F)F)c1ccc(Br)s1	 
COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1OC	ZINC000004098510	11/93/58/210119358	IMEYGBIXGJLUIS-UHFFFAOYSA-N	-1	330.292	EF	2.594	3	Clean	high	EFCAHM	COc1cc2oc(-c3ccc(O)c(O)c3)cc([O-])c-2c(=O)c1OC	in-vitro biogenic
COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1OC	ZINC000004098510	11/93/52/210119352	IMEYGBIXGJLUIS-UHFFFAOYSA-N	-1	330.292	EF	2.594	1	Clean	mid	EFCAMM	COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c([O-])c1OC	in-vitro biogenic
COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1OC	ZINC000004098510	11/93/48/210119348	IMEYGBIXGJLUIS-UHFFFAOYSA-N	-1	330.292	EF	2.594	0	Clean	ref	EFCARM	COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1OC	in-vitro biogenic
COc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(OC)c1OC	ZINC000004348805	46/38/63/471463863	CTALFFOVOLJORS-ZDUSSCGKSA-N	-1	346.335	EF	2.83	1	Anodyne	mid	EFABMM	COc1cc([C@@H]2CC(=O)c3c(O)cc([O-])cc3O2)cc(OC)c1OC	 
COc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(OC)c1OC	ZINC000004348805	46/38/54/471463854	CTALFFOVOLJORS-ZDUSSCGKSA-N	0	346.335	EF	2.83	0	Anodyne	ref	EFABRN	COc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(OC)c1OC	 
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1O	ZINC000005640267	51/48/22/471514822	ZSPZNFOLWQEVQJ-UHFFFAOYSA-N	-2	330.292	EF	2.594	3	Anodyne	high	EFAAHL	COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OC)cc1O	biogenic in-vivo
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1O	ZINC000005640267	51/48/20/471514820	ZSPZNFOLWQEVQJ-UHFFFAOYSA-N	0	330.292	EF	2.594	2	Anodyne	low	EFAALN	COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1O	biogenic in-vivo
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1O	ZINC000005640267	51/48/17/471514817	ZSPZNFOLWQEVQJ-UHFFFAOYSA-N	-1	330.292	EF	2.594	0	Anodyne	ref	EFAARM	COc1ccc(-c2oc3cc([O-])cc(O)c3c(=O)c2OC)cc1O	biogenic in-vivo
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OC	ZINC000005732688	51/91/13/471519113	CPCPHNWWTJLXKQ-UHFFFAOYSA-N	-2	344.319	EF	2.897	3	Anodyne	high	EFABHL	COc1cc(-c2cc(=O)c3c([O-])cc([O-])cc3o2)cc(OC)c1OC	in-man endogenous
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OC	ZINC000005732688	51/91/10/471519110	CPCPHNWWTJLXKQ-UHFFFAOYSA-N	0	344.319	EF	2.897	2	Anodyne	low	EFABLN	COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OC	in-man endogenous
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OC	ZINC000005732688	51/91/09/471519109	CPCPHNWWTJLXKQ-UHFFFAOYSA-N	0	344.319	EF	2.897	2	Anodyne	low	EFABLN	COc1cc(-c2cc(O)c3c(=O)cc(O)cc-3o2)cc(OC)c1OC	in-man endogenous
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OC	ZINC000005732688	51/91/04/471519104	CPCPHNWWTJLXKQ-UHFFFAOYSA-N	-1	344.319	EF	2.897	0	Anodyne	ref	EFABRM	COc1cc(-c2cc(=O)c3c(O)cc([O-])cc3o2)cc(OC)c1OC	in-man endogenous
CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1	ZINC000005796482	52/10/08/471521008	HDKMHRCLLPAOCC-QGZVFWFLSA-N	0	343.379	EF	2.793	0	Anodyne	ref	EFABRN	CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1	in-vitro biogenic
Ic1ccc(I)cc1	ZINC000006827587	57/28/47/471572847	LFMWZTSOMGDDJU-UHFFFAOYSA-N	0	329.906	EF	2.896	0	Anodyne	ref	EFAARN	Ic1ccc(I)cc1	 
CC/C=C\C[C@H](O)/C=C/[C@H](O)[C@@H](O)CCCCCCCC(=O)O	ZINC000014815682	87/98/54/471879854	ADHVWICOFLYDST-SZTSADAQSA-N	-1	328.449	EF	2.797	0	Anodyne	ref	EFAARM	CC/C=C\C[C@H](O)/C=C/[C@H](O)[C@@H](O)CCCCCCCC(=O)[O-]	in-vitro biogenic
Nc1ncc2c(n1)CCN(c1ncc(C(F)(F)F)cc1Cl)C2	ZINC000020246962	69/57/99/283695799	FJFXKJLCRHRVIH-UHFFFAOYSA-N	0	329.713	EF	2.689	0	Anodyne	ref	EFAARN	Nc1ncc2c(n1)CCN(c1ncc(C(F)(F)F)cc1Cl)C2	 
N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	ZINC000035052107	28/55/25/202285525	DHQUQYYPAWHGAR-KRWDZBQOSA-N	1	327.38	EF	2.581	1	Anodyne	mid	EFAAMO	[NH3+][C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	 
N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	ZINC000035052107	28/55/20/202285520	DHQUQYYPAWHGAR-KRWDZBQOSA-N	0	327.38	EF	2.581	0	Anodyne	ref	EFAARN	N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	 
N[C@@H](CCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	ZINC000045331579	39/26/41/472392641	NSLLCIQICDMDKC-KRWDZBQOSA-N	0	325.364	EF	2.534	0	Anodyne	ref	EFABRN	[NH3+][C@@H](CCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	 
N[C@H](CCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	ZINC000045331582	39/29/55/472392955	NSLLCIQICDMDKC-QGZVFWFLSA-N	0	325.364	EF	2.534	0	Anodyne	ref	EFABRN	[NH3+][C@H](CCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	 
C[C@@](N)(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	ZINC000045331617	39/24/06/472392406	HHKUVJAKUATCOG-LJQANCHMSA-N	-1	325.364	EF	2.534	3	Anodyne	high	EFABHM	C[C@@](N)(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	 
C[C@@](N)(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	ZINC000045331617	39/23/95/472392395	HHKUVJAKUATCOG-LJQANCHMSA-N	0	325.364	EF	2.534	0	Anodyne	ref	EFABRN	C[C@@]([NH3+])(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	 
C[C@](N)(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	ZINC000045331620	39/24/34/472392434	HHKUVJAKUATCOG-IBGZPJMESA-N	-1	325.364	EF	2.534	3	Anodyne	high	EFABHM	C[C@](N)(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	 
C[C@](N)(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	ZINC000045331620	39/24/28/472392428	HHKUVJAKUATCOG-IBGZPJMESA-N	0	325.364	EF	2.534	0	Anodyne	ref	EFABRN	C[C@]([NH3+])(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	 
CC(C)(C)OC(=O)[C@@H](N)CCCCNC(=O)OCc1ccccc1	ZINC000055392749	17/79/61/472177961	AKFVZALISNAFRA-HNNXBMFYSA-N	1	336.432	EF	2.752	1	Anodyne	mid	EFAAMO	CC(C)(C)OC(=O)[C@@H]([NH3+])CCCCNC(=O)OCc1ccccc1	 
CC(C)(C)OC(=O)[C@@H](N)CCCCNC(=O)OCc1ccccc1	ZINC000055392749	17/79/51/472177951	AKFVZALISNAFRA-HNNXBMFYSA-N	0	336.432	EF	2.752	0	Anodyne	ref	EFAARN	CC(C)(C)OC(=O)[C@@H](N)CCCCNC(=O)OCc1ccccc1	 
CC(C)(C)[C@@](CCC(=O)O)(NC(=O)OCc1ccccc1)C(=O)O	ZINC000059526955	62/71/13/472627113	RJRNWUBXUMXRDN-KRWDZBQOSA-N	-2	337.372	EF	2.647	0	Anodyne	ref	EFABRL	CC(C)(C)[C@@](CCC(=O)[O-])(NC(=O)OCc1ccccc1)C(=O)[O-]	 
COc1ccc(CN(C(=O)OC(C)(C)C)[C@@H](CS)C(=O)O)cc1	ZINC000060024715	63/31/41/472633141	JNRHFCNVHXAXAM-ZDUSSCGKSA-N	-1	341.429	EF	2.815	0	Mild	ref	EFEBRM	COc1ccc(CN(C(=O)OC(C)(C)C)[C@@H](CS)C(=O)[O-])cc1	 
COc1ccc(CN(C(=O)OC(C)(C)C)[C@H](CS)C(=O)O)cc1	ZINC000060024716	63/39/68/472633968	JNRHFCNVHXAXAM-CYBMUJFWSA-N	-1	341.429	EF	2.815	0	Mild	ref	EFEBRM	COc1ccc(CN(C(=O)OC(C)(C)C)[C@H](CS)C(=O)[O-])cc1	 
N=CCC(=N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	ZINC000064220239	83/66/10/472836610	XEQKJSRCKSAIGG-UHFFFAOYSA-N	2	333.745	EF	2.893	1	Anodyne	mid	EFABMP	[NH2+]=CCC(=[NH2+])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	 
N=CCC(=N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	ZINC000064220239	83/66/07/472836607	XEQKJSRCKSAIGG-UHFFFAOYSA-N	1	333.745	EF	2.893	0	Anodyne	ref	EFABRO	N=CCC(=[NH2+])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	 
CCc1c(C(F)(F)F)nn(C)c1S(=O)(=O)c1ccc(F)cc1	ZINC000064220264	36/78/37/281367837	TUWNOHSUETVOLV-UHFFFAOYSA-N	0	336.31	EF	2.973	0	Anodyne	ref	EFABRN	CCc1c(C(F)(F)F)nn(C)c1S(=O)(=O)c1ccc(F)cc1	 
N[C@H](CCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000079670041	90/56/13/472905613	RHOZHSSHUNDYGQ-QGZVFWFLSA-N	-1	325.364	EF	2.534	1	Anodyne	mid	EFABMM	N[C@H](CCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21	 
N[C@H](CCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000079670041	90/56/07/472905607	RHOZHSSHUNDYGQ-QGZVFWFLSA-N	0	325.364	EF	2.534	0	Anodyne	ref	EFABRN	[NH3+][C@H](CCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21	 
N[C@@H](CCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000079670048	24/76/50/217247650	RHOZHSSHUNDYGQ-KRWDZBQOSA-N	-1	325.364	EF	2.534	1	Anodyne	mid	EFABMM	N[C@@H](CCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21	 
N[C@@H](CCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000079670048	24/76/46/217247646	RHOZHSSHUNDYGQ-KRWDZBQOSA-N	0	325.364	EF	2.534	0	Anodyne	ref	EFABRN	[NH3+][C@@H](CCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21	 
CC(=O)Oc1ccccc1C(=O)Oc1ccccc1CO[N+](=O)[O-]	ZINC000079671497	24/82/07/217248207	SGYYAQBLQPNUIL-UHFFFAOYSA-N	0	331.28	EF	2.539	0	Anodyne	ref	EFABRN	CC(=O)Oc1ccccc1C(=O)Oc1ccccc1CO[N+](=O)[O-]	 
OC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000095681824	06/73/03/258067303	CTPJWMXVKNDLCK-UHFFFAOYSA-N	0	348.083	EF	2.739	0	Mild	ref	EFEARN	OC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	 
O=C(O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F	ZINC000095681891	06/73/26/258067326	VTXSVMHCHVIRJR-UHFFFAOYSA-N	-1	326.061	EF	2.969	0	Mild	ref	EFEARM	O=C([O-])C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F	 
CC(=O)Oc1ccccc1C(=O)OCC(=O)OCc1ccccc1	ZINC000114082269	43/90/04/473439004	AFIIYNOYBGQVMC-UHFFFAOYSA-N	0	328.32	EF	2.512	0	Anodyne	ref	EFABRN	CC(=O)Oc1ccccc1C(=O)OCC(=O)OCc1ccccc1	 
COC(=O)[C@@H](C)Oc1ccc(NC(=O)COCc2ccccc2)cc1	ZINC000114670771	49/11/79/473491179	HKQYDSNFLLUNDM-CQSZACIVSA-N	0	343.379	EF	2.782	0	Anodyne	ref	EFABRN	COC(=O)[C@@H](C)Oc1ccc(NC(=O)COCc2ccccc2)cc1	 
COC(=O)[C@H](C)Oc1ccc(NC(=O)COCc2ccccc2)cc1	ZINC000114670773	49/13/19/473491319	HKQYDSNFLLUNDM-AWEZNQCLSA-N	0	343.379	EF	2.782	0	Anodyne	ref	EFABRN	COC(=O)[C@H](C)Oc1ccc(NC(=O)COCc2ccccc2)cc1	 
COC(=O)[C@@H](C)Oc1ccc(OC(=O)COCc2ccccc2)cc1	ZINC000117564292	47/14/18/472471418	HFLPHENRITVCPO-CQSZACIVSA-N	0	344.363	EF	2.749	0	Anodyne	ref	EFABRN	COC(=O)[C@@H](C)Oc1ccc(OC(=O)COCc2ccccc2)cc1	 
COC(=O)[C@H](C)Oc1ccc(OC(=O)COCc2ccccc2)cc1	ZINC000117564295	47/14/63/472471463	HFLPHENRITVCPO-AWEZNQCLSA-N	0	344.363	EF	2.749	0	Anodyne	ref	EFABRN	COC(=O)[C@H](C)Oc1ccc(OC(=O)COCc2ccccc2)cc1	 
C[C@H](OC(=O)COC(=O)c1ccccc1)C(=O)OCc1ccccc1	ZINC000263583525	78/50/87/473785087	HCFSAJREUUFQOF-AWEZNQCLSA-N	0	342.347	EF	2.519	0	Anodyne	ref	EFABRN	C[C@H](OC(=O)COC(=O)c1ccccc1)C(=O)OCc1ccccc1	 
C[C@@H](OC(=O)COC(=O)c1ccccc1)C(=O)OCc1ccccc1	ZINC000263583526	78/57/44/473785744	HCFSAJREUUFQOF-CQSZACIVSA-N	0	342.347	EF	2.519	0	Anodyne	ref	EFABRN	C[C@@H](OC(=O)COC(=O)c1ccccc1)C(=O)OCc1ccccc1	 
O=C(CCOC(=O)c1ccccc1)OCC(=O)OCc1ccccc1	ZINC000263583721	78/59/26/473785926	VOLFHMPFBSCYCM-UHFFFAOYSA-N	0	342.347	EF	2.52	0	Anodyne	ref	EFABRN	O=C(CCOC(=O)c1ccccc1)OCC(=O)OCc1ccccc1