CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1	ZINC000000001003	66/75/22/180667522	FEJKLNWAOXSSNR-UHFFFAOYSA-N	0	313.309	DF	2.79	0	Anodyne	ref	DFAARN	CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1	world
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N	ZINC000000001473	53/02/42/425530242	JUUFBMODXQKSTD-UHFFFAOYSA-N	0	304.325	DF	2.983	1	Anodyne	mid	DFAAMN	CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N	world
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N	ZINC000000001473	53/02/37/425530237	JUUFBMODXQKSTD-UHFFFAOYSA-N	1	304.325	DF	2.983	0	Anodyne	ref	DFAARO	CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)[nH+]c1N	world
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2	ZINC000000001758	53/03/41/425530341	HPNSFSBZBAHARI-RUDMXATFSA-N	-1	320.341	DF	2.733	0	Anodyne	ref	DFAARM	COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)[O-])C(=O)OC2	fda biogenic
C[C@H](CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1	ZINC000000003911	66/83/39/180668339	JRWZLRBJNMZMFE-CYBMUJFWSA-N	1	301.386	DF	2.957	0	Clean	ref	DFCARO	C[C@H](CCc1ccc(O)cc1)[NH2+]CCc1ccc(O)c(O)c1	fda
CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1	ZINC000000006300	53/02/00/425530200	HUNXMJYCHXQEGX-UHFFFAOYSA-N	0	305.341	DF	2.641	0	Mild	ref	DFEARN	CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1	fda
Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1	ZINC000000006694	66/83/29/180668329	LNPDTQAFDNKSHK-UHFFFAOYSA-N	0	314.366	DF	2.964	0	Anodyne	ref	DFAARN	Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1	investigational endogenous
C[C@@H](CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1	ZINC000000057278	68/00/77/180680077	JRWZLRBJNMZMFE-ZDUSSCGKSA-N	1	301.386	DF	2.957	0	Clean	ref	DFCARO	C[C@@H](CCc1ccc(O)cc1)[NH2+]CCc1ccc(O)c(O)c1	fda
CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12	ZINC000001545565	87/25/16/180872516	IKBKZGMPCYNSLU-RGVLZGJSSA-N	0	301.394	DF	2.815	3	Mild	high	DFEAHN	CCCCCNC(=N)NN=Cc1c[nH]c2ccc(OC)cc12	world
CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12	ZINC000001545565	87/25/13/180872513	IKBKZGMPCYNSLU-RGVLZGJSSA-N	1	301.394	DF	2.815	0	Mild	ref	DFEARO	CCCCCNC(=[NH2+])NN=Cc1c[nH]c2ccc(OC)cc12	world
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	ZINC000001576243	58/37/54/425583754	NFVNYBJCJGKVQK-CYBMUJFWSA-N	-1	304.346	DF	2.688	0	Anodyne	ref	DFAARM	CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	 
COc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1	ZINC000002018339	58/91/10/425589110	GDYUVHBMFVMBAF-LIRRHRJNSA-N	1	313.397	DF	2.98	0	Anodyne	ref	DFABRO	COc1cccc(C(=O)CC[NH2+][C@@H](C)[C@H](O)c2ccccc2)c1	in-man
NCCCCCCNS(=O)(=O)c1cccc2ccccc12	ZINC000002169529	59/05/12/425590512	FVJRBJIENDRNBE-UHFFFAOYSA-N	1	306.431	DF	2.637	0	Anodyne	ref	DFAARO	[NH3+]CCCCCCNS(=O)(=O)c1cccc2ccccc12	in-vitro
CCOC(=O)c1cn(C2CC2)c2c(OC)c(F)c(F)cc2c1=O	ZINC000002559584	59/74/99/425597499	XPAOPAPDCRLMTR-UHFFFAOYSA-N	0	323.295	DF	2.8	0	Anodyne	ref	DFAARN	CCOC(=O)c1cn(C2CC2)c2c(OC)c(F)c(F)cc2c1=O	in-vitro
CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)n1cccn1	ZINC000002572520	59/67/07/425596707	QFNFDHNZVTWZED-UHFFFAOYSA-N	0	310.354	DF	2.547	1	Mild	mid	DFEAMN	CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)n1cccn1	 
CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)n1cccn1	ZINC000002572520	59/67/02/425596702	QFNFDHNZVTWZED-UHFFFAOYSA-N	-1	310.354	DF	2.547	0	Mild	ref	DFEARM	CC(C)(C)OC(=O)N=C([N-]C(=O)OC(C)(C)C)n1cccn1	 
Nc1c(Br)cc(O)c2c1C(=O)c1ccccc1C2=O	ZINC000003874025	61/72/23/425617223	MSSQDESMUMSQEN-UHFFFAOYSA-N	-1	318.126	DF	2.512	3	Clean	high	DFCAHM	Nc1c(Br)cc([O-])c2c1C(=O)c1ccccc1C2=O	 
Nc1c(Br)cc(O)c2c1C(=O)c1ccccc1C2=O	ZINC000003874025	61/72/13/425617213	MSSQDESMUMSQEN-UHFFFAOYSA-N	0	318.126	DF	2.512	0	Clean	ref	DFCARN	Nc1c(Br)cc(O)c2c1C(=O)c1ccccc1C2=O	 
CCCc1nc(C)c2c(=O)[nH]c(-c3ccccc3OCC)nn12	ZINC000004199922	08/44/11/181084411	YRRWQMBIMZMVDB-UHFFFAOYSA-N	0	312.373	DF	2.744	0	Anodyne	ref	DFAARN	CCCc1nc(C)c2c(=O)[nH]c(-c3ccccc3OCC)nn12	in-vitro
CCOP(=O)(COS(=O)(=O)c1ccc(C)cc1)OCC	ZINC000004352618	10/13/63/181101363	UOEFFQWLRUBDME-UHFFFAOYSA-N	0	322.319	DF	2.924	0	Mild	ref	DFEARN	CCOP(=O)(COS(=O)(=O)c1ccc(C)cc1)OCC	in-vitro
CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1	ZINC000004617749	12/96/90/181129690	HYWYRSMBCFDLJT-UHFFFAOYSA-N	0	308.315	DF	2.759	2	Bother	low	DFBALN	CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1	world
CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1	ZINC000004617749	12/96/88/181129688	HYWYRSMBCFDLJT-UHFFFAOYSA-N	-1	308.315	DF	2.759	0	Bother	ref	DFBARM	CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1Oc1ccccc1	world
O=C(O)c1cc(Sc2ccc(O)c(C(=O)O)c2)ccc1O	ZINC000004760059	14/92/04/181149204	DWMJRSPNFCPIQN-UHFFFAOYSA-N	-2	306.295	DF	2.645	0	Anodyne	ref	DFAARL	O=C([O-])c1cc(Sc2ccc(O)c(C(=O)[O-])c2)ccc1O	 
Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1cccnc1	ZINC000008656687	67/23/38/425672338	YISGMOZSGOGYOU-QPEQYQDCSA-N	-1	315.423	DF	2.978	1	Clean	mid	DFCAMM	Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1cccnc1	in-vitro
Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1cccnc1	ZINC000008656687	67/23/32/425672332	YISGMOZSGOGYOU-QPEQYQDCSA-N	-1	315.423	DF	2.978	0	Clean	ref	DFCARM	Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1cccnc1	in-vitro
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)O)C1=O	ZINC000013507152	75/46/26/425754626	CHNUOJQWGUIOLD-SMTGYRLFSA-N	-1	319.407	DF	2.919	0	Clean	ref	DFCARM	CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)[O-])C1=O	in-vitro
CN1c2ccccc2C(=O)c2ccc(Cl)cc2S1(=O)=O	ZINC000021298811	26/49/08/283264908	RGOFXWXKWORKIP-UHFFFAOYSA-N	0	307.758	DF	2.71	0	Anodyne	ref	DFAARN	CN1c2ccccc2C(=O)c2ccc(Cl)cc2S1(=O)=O	in-vitro
CCN(CC)CCNC(=O)c1cc(Cl)nc2ccccc12	ZINC000021981699	30/14/24/182301424	WZBLJANCSMJDSS-UHFFFAOYSA-N	1	305.809	DF	2.96	0	Anodyne	ref	DFAARO	CC[NH+](CC)CCNC(=O)c1cc(Cl)nc2ccccc12	in-vitro
O=C(O)c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1	ZINC000021990496	25/51/02/304255102	IBKNKOTZIPJEKR-UHFFFAOYSA-N	-2	321.292	DF	2.602	0	Anodyne	ref	DFABRL	O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)[O-])n3)n2)n1	 
C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)O	ZINC000021991635	30/25/22/182302522	FDESQZBVTKLIQN-MLGOENBGSA-N	-1	317.429	DF	2.984	0	Anodyne	ref	DFAARM	C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)[O-]	 
Oc1ccc([C@@H]2CNCCc3c2cc(O)c(O)c3Cl)cc1	ZINC000022116608	30/92/82/182309282	TVURRHSHRRELCG-ZDUSSCGKSA-N	0	305.761	DF	2.734	3	Clean	high	DFCAHN	[O-]c1c(O)cc2c(c1Cl)CC[NH2+]C[C@H]2c1ccc(O)cc1	fda
Oc1ccc([C@@H]2CNCCc3c2cc(O)c(O)c3Cl)cc1	ZINC000022116608	30/92/81/182309281	TVURRHSHRRELCG-ZDUSSCGKSA-N	1	305.761	DF	2.734	0	Clean	ref	DFCARO	Oc1ccc([C@@H]2C[NH2+]CCc3c2cc(O)c(O)c3Cl)cc1	fda
Oc1ccc([C@H]2CNCCc3c2cc(O)c(O)c3Cl)cc1	ZINC000022116612	79/75/68/425797568	TVURRHSHRRELCG-CYBMUJFWSA-N	0	305.761	DF	2.734	3	Clean	high	DFCAHN	[O-]c1c(O)cc2c(c1Cl)CC[NH2+]C[C@@H]2c1ccc(O)cc1	fda
Oc1ccc([C@H]2CNCCc3c2cc(O)c(O)c3Cl)cc1	ZINC000022116612	79/75/62/425797562	TVURRHSHRRELCG-CYBMUJFWSA-N	1	305.761	DF	2.734	0	Clean	ref	DFCARO	Oc1ccc([C@H]2C[NH2+]CCc3c2cc(O)c(O)c3Cl)cc1	fda
Cn1c(SCc2ccc(C(C)(C)C)cc2)nc(N)cc1=O	ZINC000073167698	28/82/70/191288270	AJMIFZLEDTUBTN-UHFFFAOYSA-N	0	303.431	DF	2.952	0	Anodyne	ref	DFABRN	Cn1c(SCc2ccc(C(C)(C)C)cc2)nc(N)cc1=O	in-vitro
O=C(O)c1cc(N=Nc2ccc(O)c(C(=O)O)c2)ccc1O	ZINC000245190568	27/61/90/336276190	QQBDLJCYGRGAKP-UHFFFAOYSA-N	-2	302.242	DF	2.91	0	Clean	ref	DFCARL	O=C([O-])C1=CC(=NNc2ccc(O)c(C(=O)[O-])c2)C=CC1=O