CC(C)[C@H](N)C(=O)N1CCCC1	ZINC000000007335	92/36/33/342923633	IHBAVXVTGLANPI-QMMMGPOBSA-N	0	170.256	AC	0.592	3	Anodyne	high	ACAAHN	CC(C)[C@H](N)C(=O)N1CCCC1	in-vivo
CC(C)[C@H](N)C(=O)N1CCCC1	ZINC000000007335	92/36/30/342923630	IHBAVXVTGLANPI-QMMMGPOBSA-N	1	170.256	AC	0.592	0	Anodyne	ref	ACAARO	CC(C)[C@H]([NH3+])C(=O)N1CCCC1	in-vivo
O=C(O)c1cc2ncccn2n1	ZINC000000031788	35/74/89/169357489	DZPAOAZDQHZRGG-UHFFFAOYSA-N	-1	163.136	AC	0.427	0	Anodyne	ref	ACAARM	O=C([O-])c1cc2ncccn2n1	 
CC1(C)N[C@@H](C(=O)O)CS1	ZINC000000039540	92/46/60/342924660	OCQICQZUUHJWGZ-SCSAIBSYSA-N	-1	161.226	AC	0.512	1	Anodyne	mid	ACAAMM	CC1(C)N[C@@H](C(=O)[O-])CS1	 
CC1(C)N[C@@H](C(=O)O)CS1	ZINC000000039540	92/46/59/342924659	OCQICQZUUHJWGZ-SCSAIBSYSA-N	0	161.226	AC	0.512	0	Anodyne	ref	ACAARN	CC1(C)[NH2+][C@@H](C(=O)[O-])CS1	 
CC1(C)N[C@H](C(=O)O)CS1	ZINC000000039541	92/45/24/342924524	OCQICQZUUHJWGZ-BYPYZUCNSA-N	-1	161.226	AC	0.512	1	Anodyne	mid	ACAAMM	CC1(C)N[C@H](C(=O)[O-])CS1	in-vivo
CC1(C)N[C@H](C(=O)O)CS1	ZINC000000039541	92/45/22/342924522	OCQICQZUUHJWGZ-BYPYZUCNSA-N	0	161.226	AC	0.512	0	Anodyne	ref	ACAARN	CC1(C)[NH2+][C@H](C(=O)[O-])CS1	in-vivo
Cc1cc(C)n(N)c(=O)c1C#N	ZINC000000047784	92/48/67/342924867	IOUFHSGKGXNGDO-UHFFFAOYSA-N	0	163.18	AC	0.051	0	Mild	ref	ACEARN	Cc1cc(C)n(N)c(=O)c1C#N	 
COc1cc(N)nc(OC)n1	ZINC000000049152	23/69/19/168236919	LNTJJKHTAZFVJJ-UHFFFAOYSA-N	0	155.157	AC	0.076	0	Anodyne	ref	ACAARN	COc1cc(N)nc(OC)n1	 
Cc1ncc(CO)c(CO)c1O	ZINC000000049154	96/61/56/168966156	LXNHXLLTXMVWPM-UHFFFAOYSA-N	0	169.18	AC	0.08	0	Anodyne	ref	ACAARN	Cc1ncc(CO)c(CO)c1O	fda endogenous
Nc1ccc2c(c1)C(=O)NC2=O	ZINC000000052615	29/50/62/169295062	PXRKCOCTEMYUEG-UHFFFAOYSA-N	-1	162.148	AC	0.152	3	Anodyne	high	ACAAHM	Nc1ccc2c(c1)C(=O)[N-]C2=O	 
Nc1ccc2c(c1)C(=O)NC2=O	ZINC000000052615	29/50/61/169295061	PXRKCOCTEMYUEG-UHFFFAOYSA-N	0	162.148	AC	0.152	0	Anodyne	ref	ACAARN	Nc1ccc2c(c1)C(=O)NC2=O	 
CC(C)(C)N1CC(O)C1	ZINC000000065001	36/01/08/166360108	SSQMTFZAUDZFTK-UHFFFAOYSA-N	0	129.203	AC	0.461	3	Anodyne	high	ACAAHN	CC(C)(C)N1CC(O)C1	 
CC(C)(C)N1CC(O)C1	ZINC000000065001	36/01/06/166360106	SSQMTFZAUDZFTK-UHFFFAOYSA-N	1	129.203	AC	0.461	0	Anodyne	ref	ACAARO	CC(C)(C)[NH+]1CC(O)C1	 
O=C1c2ccccc2C(=O)N1CO	ZINC000000076113	39/32/78/169393278	MNSGOOCAMMSKGI-UHFFFAOYSA-N	0	177.159	AC	0.232	0	Anodyne	ref	ACAARN	O=C1c2ccccc2C(=O)N1CO	in-vitro
CSc1nc(C)nc(N)n1	ZINC000000076642	31/41/61/168314161	CQORBMDQIUWHGC-UHFFFAOYSA-N	0	156.214	AC	0.484	0	Anodyne	ref	ACAARN	CSc1nc(C)nc(N)n1	in-vitro
COC(=O)C1CCC(CN)CC1	ZINC000000086677	08/35/15/168083515	NSIXHHAVJIMVTD-UHFFFAOYSA-N	1	171.24	AC	0.924	0	Anodyne	ref	ACAARO	COC(=O)C1CCC(C[NH3+])CC1	 
COc1ccc(NN)cc1	ZINC000000088604	92/65/39/342926539	PVRSIFAEUCUJPK-UHFFFAOYSA-N	0	138.17	AC	0.981	0	Anodyne	ref	ACAARN	COc1ccc(NN)cc1	 
Cc1cc(N2C(=O)C=CC2=O)no1	ZINC000000091370	92/64/99/342926499	OGTXKXDQFNORIF-UHFFFAOYSA-N	0	178.147	AC	0.412	0	Anodyne	ref	ACAARN	Cc1cc(N2C(=O)C=CC2=O)no1	 
COC(=O)c1ncccc1C(=O)O	ZINC000000093300	13/74/55/168137455	OSSIORZYXTUXBL-UHFFFAOYSA-N	-1	181.147	AC	0.566	0	Anodyne	ref	ACAARM	COC(=O)c1ncccc1C(=O)[O-]	 
N#CCN1C(=O)c2ccccc2C1=O	ZINC000000097021	09/64/45/169096445	KJTIDLYAIIARFO-UHFFFAOYSA-N	0	186.17	AC	0.806	0	Mild	ref	ACEARN	N#CCN1C(=O)c2ccccc2C1=O	 
COC(=O)c1ccc([N+](=O)[O-])o1	ZINC000000105234	13/21/88/168132188	UTLKCGPAJUYGOM-UHFFFAOYSA-N	0	171.108	AC	0.974	0	Bother	ref	ACBARN	COC(=O)c1ccc([N+](=O)[O-])o1	 
CCOC(=O)c1c(C)noc1N	ZINC000000108211	36/70/01/167367001	ULIKRPZEQZFBPS-UHFFFAOYSA-N	0	170.168	AC	0.742	0	Anodyne	ref	ACAARN	CCOC(=O)c1c(C)noc1N	 
N[C@@H](Cc1ccccc1F)C(=O)O	ZINC000000113791	24/75/52/169247552	NYCRCTMDYITATC-QMMMGPOBSA-N	0	183.182	AC	0.78	0	Anodyne	ref	ACAARN	[NH3+][C@@H](Cc1ccccc1F)C(=O)[O-]	in-vitro biogenic
N[C@H](Cc1ccccc1F)C(=O)O	ZINC000000113796	26/77/71/169267771	NYCRCTMDYITATC-MRVPVSSYSA-N	0	183.182	AC	0.78	0	Anodyne	ref	ACAARN	[NH3+][C@H](Cc1ccccc1F)C(=O)[O-]	in-vitro biogenic
Cc1cn(C)c(CC(=O)O)c1C(=O)O	ZINC000000120541	92/71/95/342927195	FASPXTNRUAOAGU-UHFFFAOYSA-N	-2	197.19	AC	0.659	0	Anodyne	ref	ACAARL	Cc1cn(C)c(CC(=O)[O-])c1C(=O)[O-]	 
O=C(O)[C@H]1NCCc2ccccc21	ZINC000000135448	35/47/29/169354729	OXFGRWIKQDSSLY-VIFPVBQESA-N	0	177.203	AC	0.958	0	Anodyne	ref	ACAARN	O=C([O-])[C@H]1[NH2+]CCc2ccccc21	in-vitro biogenic
CN1C(=O)c2ccc(N)cc2C1=O	ZINC000000135566	92/77/15/342927715	KMEBUNSLFRQSEM-UHFFFAOYSA-N	0	176.175	AC	0.495	0	Anodyne	ref	ACAARN	CN1C(=O)c2ccc(N)cc2C1=O	 
O=C(O)CNC(=O)Cc1ccccc1	ZINC000000136391	34/09/72/169340972	UTYVDVLMYQPLQB-UHFFFAOYSA-N	-1	193.202	AC	0.43	0	Anodyne	ref	ACAARM	O=C([O-])CNC(=O)Cc1ccccc1	in-man endogenous
Cc1cc(N)n(C)n1	ZINC000000152286	92/80/89/342928089	ZFDGMMZLXSFNFU-UHFFFAOYSA-N	0	111.148	AC	0.311	0	Anodyne	ref	ACAARN	Cc1cc(N)n(C)n1	in-vitro
NC(=O)c1cccs1	ZINC000000153111	92/85/69/342928569	DENPQNAWGQXKCU-UHFFFAOYSA-N	0	127.168	AC	0.847	0	Anodyne	ref	ACAARN	NC(=O)c1cccs1	 
CS(=O)(=O)c1cccc(N)c1	ZINC000000153766	29/59/08/168295908	MBNPJRQKQLLRIS-UHFFFAOYSA-N	0	171.221	AC	0.672	0	Anodyne	ref	ACAARN	CS(=O)(=O)c1cccc(N)c1	 
Cc1nnc(N)nc1C	ZINC000000154796	92/89/21/342928921	UIKGLXJNZXSPGV-UHFFFAOYSA-N	0	124.147	AC	0.071	0	Anodyne	ref	ACAARN	Cc1nnc(N)nc1C	 
NC(=S)c1ccncc1	ZINC000000154867	16/81/81/169168181	KPIIGXWUNXGGCP-UHFFFAOYSA-N	0	138.195	AC	0.716	2	Anodyne	low	ACAALN	NC(=S)c1ccncc1	in-vitro
CC(C)(C)OC(=O)NO	ZINC000000155424	37/16/61/166371661	DRDVJQOGFWAVLH-UHFFFAOYSA-N	-1	133.147	AC	0.9	3	Anodyne	high	ACAAHM	CC(C)(C)OC(=O)N[O-]	 
CC(C)(C)OC(=O)NO	ZINC000000155424	37/16/54/166371654	DRDVJQOGFWAVLH-UHFFFAOYSA-N	0	133.147	AC	0.9	0	Anodyne	ref	ACAARN	CC(C)(C)OC(=O)NO	 
Nc1nc(CC(=O)O)cs1	ZINC000000155667	30/42/98/169304298	DYCLHZPOADTVKK-UHFFFAOYSA-N	-1	158.182	AC	0.352	0	Anodyne	ref	ACAARM	Nc1nc(CC(=O)[O-])cs1	 
NC(=O)NC(=O)c1ccccc1	ZINC000000156273	15/63/06/169156306	HRYILSDLIGTCOP-UHFFFAOYSA-N	0	164.164	AC	0.495	0	Anodyne	ref	ACAARN	NC(=O)NC(=O)c1ccccc1	in-vitro
NN1C(=O)c2ccccc2C1=O	ZINC000000157180	23/40/58/169234058	KSILMCDYDAKOJD-UHFFFAOYSA-N	0	162.148	AC	0.156	0	Anodyne	ref	ACAARN	NN1C(=O)c2ccccc2C1=O	 
COC(=O)c1cnccn1	ZINC000000157407	13/52/97/168135297	TWIIRMSFZNYMQE-UHFFFAOYSA-N	0	138.126	AC	0.263	0	Anodyne	ref	ACAARN	COC(=O)c1cnccn1	 
OCC[C@@H]1CCCCN1	ZINC000000157541	27/17/89/351271789	PTHDBHDZSMGHKF-ZETCQYMHSA-N	1	129.203	AC	0.511	0	Anodyne	ref	ACAARO	OCC[C@@H]1CCCC[NH2+]1	in-vitro
Cn1cccc1C(=O)O	ZINC000000158566	04/78/51/169047851	ILAOVOOZLVGAJF-UHFFFAOYSA-N	-1	125.127	AC	0.723	0	Anodyne	ref	ACAARM	Cn1cccc1C(=O)[O-]	 
OCc1ccncc1	ZINC000000158595	27/14/80/351271480	PTMBWNZJOQBTBK-UHFFFAOYSA-N	0	109.128	AC	0.574	0	Anodyne	ref	ACAARN	OCc1ccncc1	in-vitro
C/C(C=O)=C/N(C)C	ZINC000000160207	05/65/89/166056589	JGAMOQYFDMQPRJ-XQRVVYSFSA-N	0	113.16	AC	0.651	0	Reactive	ref	ACGARN	C/C(C=O)=C/N(C)C	 
CCOC(=O)CC1(C)OCCO1	ZINC000000160855	33/07/28/167330728	XWEOGMYZFCHQNT-UHFFFAOYSA-N	0	174.196	AC	0.703	0	Anodyne	ref	ACAARN	CCOC(=O)CC1(C)OCCO1	 
N#Cc1nc(Br)[nH]c1C#N	ZINC000000161343	27/24/23/351272423	WMPWSWMSTJAAPF-UHFFFAOYSA-N	0	196.995	AC	0.916	2	Mild	low	ACEALN	N#Cc1nc(Br)[nH]c1C#N	 
N#Cc1nc(Br)[nH]c1C#N	ZINC000000161343	27/24/19/351272419	WMPWSWMSTJAAPF-UHFFFAOYSA-N	0	196.995	AC	0.916	0	Mild	ref	ACEARN	N#Cc1nc(Br)[n-]c1C#N	 
Cc1[nH]nc(O)c1C	ZINC000000162747	93/00/56/342930056	CMTNHTJUNZPFMW-UHFFFAOYSA-N	-1	112.132	AC	0.732	3	Anodyne	high	ACAAHM	Cc1[n-][nH]c(=O)c1C	 
Cc1[nH]nc(O)c1C	ZINC000000162747	93/00/50/342930050	CMTNHTJUNZPFMW-UHFFFAOYSA-N	0	112.132	AC	0.732	0	Anodyne	ref	ACAARN	Cc1[nH][nH]c(=O)c1C	 
Nn1c(S)nnc1-c1ccccc1	ZINC000000163939	31/30/19/169313019	OKNHZPGPLNUEPC-UHFFFAOYSA-N	0	192.247	AC	0.948	0	Anodyne	ref	ACAARN	NN1C(=S)N=NC1c1ccccc1	 
NC(=S)c1cnccn1	ZINC000000165372	16/80/40/169168040	LIURPUMROGYCLW-UHFFFAOYSA-N	0	139.183	AC	0.111	2	Anodyne	low	ACAALN	NC(=S)c1cnccn1	in-vitro
COC(=O)c1ccc[nH]1	ZINC000000165735	13/38/38/168133838	VONGYFFEWFJHNP-UHFFFAOYSA-N	0	125.127	AC	0.801	0	Anodyne	ref	ACAARN	COC(=O)c1ccc[nH]1	 
CCCc1nn(C)c(C(N)=O)c1N	ZINC000000168940	93/08/07/342930807	PZMXDLWWQHYXGY-UHFFFAOYSA-N	0	182.227	AC	0.054	0	Anodyne	ref	ACAARN	CCCc1nn(C)c(C(N)=O)c1N	in-vitro
CCOC(=O)c1cccc(C(=O)O)n1	ZINC000000174778	37/29/04/167372904	MFCXAUVIKVGIFK-UHFFFAOYSA-N	-1	195.174	AC	0.957	0	Anodyne	ref	ACAARM	CCOC(=O)c1cccc(C(=O)[O-])n1	 
Cn1c(=O)[nH]c(=O)c2ccccc21	ZINC000000175955	02/94/23/169029423	RWFOOMQYIRITHL-UHFFFAOYSA-N	0	176.175	AC	0.227	0	Anodyne	ref	ACAARN	Cn1c(=O)[nH]c(=O)c2ccccc21	 
NC(=O)CCn1cnc2ccccc21	ZINC000000203341	14/98/05/169149805	UTOCMNYFMMLILL-UHFFFAOYSA-N	0	189.218	AC	0.912	0	Anodyne	ref	ACAARN	NC(=O)CCn1cnc2ccccc21	in-vitro
O=C(O)C/N=C1/CCCCCN1	ZINC000000204308	93/14/95/342931495	ZZKQYXZXRHAHKH-UHFFFAOYSA-N	0	170.212	AC	0.633	0	Mild	ref	ACEARN	O=C([O-])CNC1=[NH+]CCCCC1	 
O=[N+]([O-])c1ccc2[nH]c(CO)nc2c1	ZINC000000236854	27/41/44/351274144	ZJLPIDVKNQXTKN-UHFFFAOYSA-N	0	193.162	AC	0.963	0	Bother	ref	ACBARN	O=[N+]([O-])c1ccc2[nH]c(CO)nc2c1	 
NC12CC3CC(C1)CC(N)(C3)C2	ZINC000000248737	93/20/67/342932067	FOLJMFFBEKONJP-UHFFFAOYSA-N	2	166.268	AC	0.995	0	Anodyne	ref	ACAARP	[NH3+]C12CC3CC(C1)CC([NH3+])(C3)C2	 
COC(=O)Oc1cncc(C(=O)O)c1	ZINC000000251644	10/43/59/168104359	UHQIMAWIOIZAJR-UHFFFAOYSA-N	-1	197.146	AC	0.925	0	Anodyne	ref	ACAARM	COC(=O)Oc1cncc(C(=O)[O-])c1	 
O=C(O)CN1Cc2ccccc2C1=O	ZINC000000253695	34/05/37/169340537	FPVHLXPCDHFPPN-UHFFFAOYSA-N	-1	191.186	AC	0.727	0	Anodyne	ref	ACAARM	O=C([O-])CN1Cc2ccccc2C1=O	 
NC(=O)c1cccc(Cl)n1	ZINC000000283724	93/28/17/342932817	GIVBFKYXAXLZBT-UHFFFAOYSA-N	0	156.572	AC	0.834	0	Anodyne	ref	ACAARN	NC(=O)c1cccc(Cl)n1	 
CNS(=O)(=O)c1ccc(C)cc1	ZINC000000300857	02/81/05/168028105	GWLOGZRVYXAHRE-UHFFFAOYSA-N	0	185.248	AC	0.903	0	Anodyne	ref	ACAARN	CNS(=O)(=O)c1ccc(C)cc1	 
CCc1cc(C(=O)O)n(C)n1	ZINC000000336995	93/45/37/342934537	AYPCLZDGADHRDL-UHFFFAOYSA-N	-1	154.169	AC	0.681	0	Anodyne	ref	ACAARM	CCc1cc(C(=O)[O-])n(C)n1	 
Cc1nc([N+](=O)[O-])cn1CCO	ZINC000000343409	95/35/00/168953500	RSXWJXPKLRYMHW-UHFFFAOYSA-N	0	171.156	AC	0.092	0	Bother	ref	ACBARN	Cc1nc([N+](=O)[O-])cn1CCO	 
CCn1c(=O)[nH]c(=O)c2ccccc21	ZINC000000344403	93/47/09/342934709	CVIBKISSHDMEKJ-UHFFFAOYSA-N	0	190.202	AC	0.71	0	Anodyne	ref	ACAARN	CCn1c(=O)[nH]c(=O)c2ccccc21	 
Nc1ccc2[nH]c(=O)oc2c1	ZINC000000347252	99/43/81/170994381	STLPJYGZOIEDAJ-UHFFFAOYSA-N	0	150.137	AC	0.703	0	Anodyne	ref	ACAARN	Nc1ccc2[nH]c(=O)oc2c1	 
CCOC(=O)C1(C#N)CC1	ZINC000000370721	32/47/47/167324747	FDZLCIITHLSEQK-UHFFFAOYSA-N	0	139.154	AC	0.853	0	Mild	ref	ACEARN	CCOC(=O)C1(C#N)CC1	 
Nc1cc(N)cc(C(=O)O)c1	ZINC000000388096	28/69/95/169286995	UENRXLSRMCSUSN-UHFFFAOYSA-N	-1	152.153	AC	0.549	0	Anodyne	ref	ACAARM	Nc1cc(N)cc(C(=O)[O-])c1	 
CN1CCC[C@H]1CCO	ZINC000000388246	90/78/99/167907899	FYVMBPXFPFAECB-ZETCQYMHSA-N	1	129.203	AC	0.463	1	Anodyne	mid	ACAAMO	C[N@H+]1CCC[C@H]1CCO	 
CN1CCC[C@H]1CCO	ZINC000000388246	90/78/98/167907898	FYVMBPXFPFAECB-ZETCQYMHSA-N	1	129.203	AC	0.463	0	Anodyne	ref	ACAARO	C[N@@H+]1CCC[C@H]1CCO	 
CN1CCC[C@@H]1CCO	ZINC000000388248	93/56/05/342935605	FYVMBPXFPFAECB-SSDOTTSWSA-N	1	129.203	AC	0.463	1	Anodyne	mid	ACAAMO	C[N@H+]1CCC[C@@H]1CCO	 
CN1CCC[C@@H]1CCO	ZINC000000388248	93/56/03/342935603	FYVMBPXFPFAECB-SSDOTTSWSA-N	1	129.203	AC	0.463	0	Anodyne	ref	ACAARO	C[N@@H+]1CCC[C@@H]1CCO	 
CN1CCCC[C@H]1CO	ZINC000000388344	93/56/31/342935631	HXXJMMLIEYAFOZ-ZETCQYMHSA-N	1	129.203	AC	0.463	1	Anodyne	mid	ACAAMO	C[N@H+]1CCCC[C@H]1CO	 
CN1CCCC[C@H]1CO	ZINC000000388344	93/56/30/342935630	HXXJMMLIEYAFOZ-ZETCQYMHSA-N	1	129.203	AC	0.463	0	Anodyne	ref	ACAARO	C[N@@H+]1CCCC[C@H]1CO	 
CN1CCCC[C@@H]1CO	ZINC000000388346	93/55/17/342935517	HXXJMMLIEYAFOZ-SSDOTTSWSA-N	1	129.203	AC	0.463	1	Anodyne	mid	ACAAMO	C[N@H+]1CCCC[C@@H]1CO	 
CN1CCCC[C@@H]1CO	ZINC000000388346	93/55/16/342935516	HXXJMMLIEYAFOZ-SSDOTTSWSA-N	1	129.203	AC	0.463	0	Anodyne	ref	ACAARO	C[N@@H+]1CCCC[C@@H]1CO	 
CN1CCC[C@H]1CO	ZINC000000391247	91/24/00/167912400	VCOJPHPOVDIRJK-LURJTMIESA-N	1	115.176	AC	0.073	1	Anodyne	mid	ACAAMO	C[N@H+]1CCC[C@H]1CO	 
CN1CCC[C@H]1CO	ZINC000000391247	91/23/97/167912397	VCOJPHPOVDIRJK-LURJTMIESA-N	1	115.176	AC	0.073	0	Anodyne	ref	ACAARO	C[N@@H+]1CCC[C@H]1CO	 
CN1CCC[C@@H]1CO	ZINC000000391249	90/63/25/167906325	VCOJPHPOVDIRJK-ZCFIWIBFSA-N	1	115.176	AC	0.073	1	Anodyne	mid	ACAAMO	C[N@H+]1CCC[C@@H]1CO	 
CN1CCC[C@@H]1CO	ZINC000000391249	90/63/22/167906322	VCOJPHPOVDIRJK-ZCFIWIBFSA-N	1	115.176	AC	0.073	0	Anodyne	ref	ACAARO	C[N@@H+]1CCC[C@@H]1CO	 
OC1CCOCC1	ZINC000000391950	27/76/02/351277602	LMYJGUNNJIDROI-UHFFFAOYSA-N	0	102.133	AC	0.158	0	Anodyne	ref	ACAARN	OC1CCOCC1	 
N#CNC(=O)c1ccccc1	ZINC000000392325	10/54/51/169105451	DBFAKALHTSOYSG-UHFFFAOYSA-N	0	146.149	AC	0.897	0	Anodyne	ref	ACAARN	N#CNC(=O)c1ccccc1	 
Cc1n[nH]c(C)c1O	ZINC000000398314	93/77/42/342937742	CTXUDADWQSSNSC-UHFFFAOYSA-N	0	112.132	AC	0.732	1	Anodyne	mid	ACAAMN	Cc1n[nH]c(C)c1O	 
Cc1n[nH]c(C)c1O	ZINC000000398314	93/77/40/342937740	CTXUDADWQSSNSC-UHFFFAOYSA-N	-1	112.132	AC	0.732	0	Anodyne	ref	ACAARM	Cc1n[nH]c(C)c1[O-]	 
CC(=O)N[C@@H](C(=O)O)C(C)C	ZINC000000399366	27/75/50/166277550	IHYJTAOFMMMOPX-ZCFIWIBFSA-N	-1	159.185	AC	0.232	0	Anodyne	ref	ACAARM	CC(=O)N[C@@H](C(=O)[O-])C(C)C	in-man endogenous
COC(=O)C1CCC1	ZINC000000400381	08/44/43/168084443	CBTGNLZUIZHUHY-UHFFFAOYSA-N	0	114.144	AC	0.959	0	Anodyne	ref	ACAARN	COC(=O)C1CCC1	 
CC(C)[C@@H](C(=O)O)N(C)C	ZINC000000402067	93/83/37/342938337	APGLTERDKORUHK-LURJTMIESA-N	0	145.202	AC	0.657	0	Anodyne	ref	ACAARN	CC(C)[C@@H](C(=O)[O-])[NH+](C)C	in-vitro
CC[C@@H](C)[C@H](N)CO	ZINC000000402997	49/37/04/167493704	VTQHAQXFSHDMHT-PHDIDXHHSA-N	1	117.192	AC	0.352	0	Anodyne	ref	ACAARO	CC[C@@H](C)[C@H]([NH3+])CO	 
CC[C@H](C)[C@H](N)CO	ZINC000000402998	93/82/24/342938224	VTQHAQXFSHDMHT-NTSWFWBYSA-N	1	117.192	AC	0.352	0	Anodyne	ref	ACAARO	CC[C@H](C)[C@H]([NH3+])CO	 
CC[C@@H](C)[C@@H](N)CO	ZINC000000402999	27/91/66/351279166	VTQHAQXFSHDMHT-RITPCOANSA-N	1	117.192	AC	0.352	0	Anodyne	ref	ACAARO	CC[C@@H](C)[C@@H]([NH3+])CO	 
CC[C@H](C)[C@@H](N)CO	ZINC000000403000	62/68/59/167626859	VTQHAQXFSHDMHT-WDSKDSINSA-N	1	117.192	AC	0.352	0	Anodyne	ref	ACAARO	CC[C@H](C)[C@@H]([NH3+])CO	 
CN1CCC[C@H]1C(=O)O	ZINC000000403075	93/82/79/342938279	CWLQUGTUXBXTLF-YFKPBYRVSA-N	0	129.159	AC	0.165	1	Anodyne	mid	ACAAMN	C[N@H+]1CCC[C@H]1C(=O)[O-]	in-vitro biogenic
CN1CCC[C@H]1C(=O)O	ZINC000000403075	93/82/77/342938277	CWLQUGTUXBXTLF-YFKPBYRVSA-N	0	129.159	AC	0.165	0	Anodyne	ref	ACAARN	C[N@@H+]1CCC[C@H]1C(=O)[O-]	in-vitro biogenic
CN1CCC[C@@H]1C(=O)O	ZINC000000403077	93/83/06/342938306	CWLQUGTUXBXTLF-RXMQYKEDSA-N	0	129.159	AC	0.165	1	Anodyne	mid	ACAAMN	C[N@H+]1CCC[C@@H]1C(=O)[O-]	in-vitro
CN1CCC[C@@H]1C(=O)O	ZINC000000403077	93/83/05/342938305	CWLQUGTUXBXTLF-RXMQYKEDSA-N	0	129.159	AC	0.165	0	Anodyne	ref	ACAARN	C[N@@H+]1CCC[C@@H]1C(=O)[O-]	in-vitro
CC(C)(C)OC(=O)N1CC[C@@H](O)C1	ZINC000000403503	36/74/54/166367454	APCBTRDHCDOPNY-SSDOTTSWSA-N	0	187.239	AC	0.988	0	Anodyne	ref	ACAARN	CC(C)(C)OC(=O)N1CC[C@@H](O)C1	in-vitro
CC(C)(C)OC(=O)N1CC[C@H](O)C1	ZINC000000403504	36/84/17/166368417	APCBTRDHCDOPNY-ZETCQYMHSA-N	0	187.239	AC	0.988	0	Anodyne	ref	ACAARN	CC(C)(C)OC(=O)N1CC[C@H](O)C1	in-vitro
C[C@@H]1SCCNC1=O	ZINC000000405461	27/99/79/351279979	JFQNETYDIXLTTR-BYPYZUCNSA-N	0	131.2	AC	0.238	0	Anodyne	ref	ACAARN	C[C@@H]1SCCNC1=O	 
CCCc1nnc(S)n1N	ZINC000000409141	93/93/27/342939327	ROAXVRKEIASZAE-UHFFFAOYSA-N	0	158.23	AC	0.233	0	Anodyne	ref	ACAARN	CCCC1N=NC(=S)N1N