O=C(O)CCNC(=O)c1ccccc1	ZINC000000012614	33/84/31/169338431	CWXYHOHYCJXYFQ-UHFFFAOYSA-N	-1	193.202	AC	0.891	0	Anodyne	ref	ACAARM	O=C([O-])CCNC(=O)c1ccccc1	world endogenous
N=C(N)c1ccco1	ZINC000000019907	14/10/68/169141068	FUVVSNUVSKUJAS-UHFFFAOYSA-N	1	110.116	AC	0.564	1	Anodyne	mid	ACAAMO	NC(=[NH2+])c1ccco1	 
N=C(N)c1ccco1	ZINC000000019907	14/10/63/169141063	FUVVSNUVSKUJAS-UHFFFAOYSA-N	0	110.116	AC	0.564	0	Anodyne	ref	ACAARN	N=C(N)c1ccco1	 
CCOC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000000028379	33/92/25/167339225	XDEFHGLUBFLYGV-UHFFFAOYSA-N	0	199.166	AC	0.354	0	Bother	ref	ACBARN	CCOC(=O)Cn1cc([N+](=O)[O-])cn1	 
CCOC(=O)c1cc(C(=O)O)nn1C	ZINC000000032369	37/00/50/167370050	JLSQQJCFVRBJAS-UHFFFAOYSA-N	-1	198.178	AC	0.295	0	Anodyne	ref	ACAARM	CCOC(=O)c1cc(C(=O)[O-])nn1C	 
N[C@H](C(=O)O)[C@@H](O)c1ccccc1	ZINC000000034161	26/27/02/169262702	VHVGNTVUSQUXPS-YUMQZZPRSA-N	-1	181.191	AC	0.132	3	Anodyne	high	ACAAHM	N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1	in-man endogenous
N[C@H](C(=O)O)[C@@H](O)c1ccccc1	ZINC000000034161	26/27/01/169262701	VHVGNTVUSQUXPS-YUMQZZPRSA-N	0	181.191	AC	0.132	0	Anodyne	ref	ACAARN	[NH3+][C@H](C(=O)[O-])[C@@H](O)c1ccccc1	in-man endogenous
N[C@H](C(=O)O)[C@H](O)c1ccccc1	ZINC000000034162	26/19/49/169261949	VHVGNTVUSQUXPS-JGVFFNPUSA-N	-1	181.191	AC	0.132	3	Anodyne	high	ACAAHM	N[C@H](C(=O)[O-])[C@H](O)c1ccccc1	in-man endogenous
N[C@H](C(=O)O)[C@H](O)c1ccccc1	ZINC000000034162	26/19/48/169261948	VHVGNTVUSQUXPS-JGVFFNPUSA-N	0	181.191	AC	0.132	0	Anodyne	ref	ACAARN	[NH3+][C@H](C(=O)[O-])[C@H](O)c1ccccc1	in-man endogenous
N[C@@H](C(=O)O)[C@@H](O)c1ccccc1	ZINC000000034163	24/23/80/169242380	VHVGNTVUSQUXPS-SFYZADRCSA-N	-1	181.191	AC	0.132	3	Anodyne	high	ACAAHM	N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1	in-vitro biogenic
N[C@@H](C(=O)O)[C@@H](O)c1ccccc1	ZINC000000034163	24/23/78/169242378	VHVGNTVUSQUXPS-SFYZADRCSA-N	0	181.191	AC	0.132	0	Anodyne	ref	ACAARN	[NH3+][C@@H](C(=O)[O-])[C@@H](O)c1ccccc1	in-vitro biogenic
N[C@@H](C(=O)O)[C@H](O)c1ccccc1	ZINC000000034164	24/25/33/169242533	VHVGNTVUSQUXPS-HTQZYQBOSA-N	-1	181.191	AC	0.132	3	Anodyne	high	ACAAHM	N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1	in-vitro biogenic
N[C@@H](C(=O)O)[C@H](O)c1ccccc1	ZINC000000034164	24/25/32/169242532	VHVGNTVUSQUXPS-HTQZYQBOSA-N	0	181.191	AC	0.132	0	Anodyne	ref	ACAARN	[NH3+][C@@H](C(=O)[O-])[C@H](O)c1ccccc1	in-vitro biogenic
OCn1cnc2ccccc21	ZINC000000043480	26/85/75/351268575	IWCRZZKSGBFRSJ-UHFFFAOYSA-N	0	148.165	AC	0.986	0	Anodyne	ref	ACAARN	OCn1cnc2ccccc21	in-vitro
O=c1cccc2n1C[C@H]1CNC[C@@H]2C1	ZINC000000049583	26/84/91/351268491	ANJTVLIZGCUXLD-BDAKNGLRSA-N	1	190.246	AC	0.555	0	Anodyne	ref	ACAARO	O=c1cccc2n1C[C@H]1C[NH2+]C[C@@H]2C1	world biogenic
CCC(=O)N1CCC(C(=O)O)CC1	ZINC000000052009	76/06/94/166760694	XLUKLCQSTIHHLD-UHFFFAOYSA-N	-1	185.223	AC	0.72	0	Anodyne	ref	ACAARM	CCC(=O)N1CCC(C(=O)[O-])CC1	 
Nc1ccc(OCC(=O)O)cc1	ZINC000000052866	29/22/58/169292258	GIFGMEWQGDEWKB-UHFFFAOYSA-N	-1	167.164	AC	0.732	0	Clean	ref	ACCARM	Nc1ccc(OCC(=O)[O-])cc1	 
O=C(O)Cn1nc2ccccc2n1	ZINC000000053107	34/50/45/169345045	DQVKBZMURLITOU-UHFFFAOYSA-N	-1	177.163	AC	0.516	0	Anodyne	ref	ACAARM	O=C([O-])Cn1nc2ccccc2n1	 
On1nnc2ccccc21	ZINC000000058261	92/54/18/342925418	ASOKPJOREAFHNY-UHFFFAOYSA-N	0	135.126	AC	0.669	1	Anodyne	mid	ACAAMN	On1nnc2ccccc21	in-vitro
On1nnc2ccccc21	ZINC000000058261	92/54/16/342925416	ASOKPJOREAFHNY-UHFFFAOYSA-N	-1	135.126	AC	0.669	0	Anodyne	ref	ACAARM	[O-]n1nnc2ccccc21	in-vitro
N#CCC(=O)Nc1nccs1	ZINC000000064983	92/54/83/342925483	ZSPNFPWMLPHDQS-UHFFFAOYSA-N	0	167.193	AC	0.995	0	Mild	ref	ACEARN	N#CCC(=O)Nc1nccs1	 
Cn1c(=O)n(C)c2ccccc21	ZINC000000073681	02/86/67/169028667	NOJXCBIUEXCLMZ-UHFFFAOYSA-N	0	162.192	AC	0.877	0	Anodyne	ref	ACAARN	Cn1c(=O)n(C)c2ccccc21	 
N#CCC(=O)N1CCCCC1	ZINC000000074125	09/33/18/169093318	ANLQHFYDQPMDJY-UHFFFAOYSA-N	0	152.197	AC	0.913	0	Mild	ref	ACEARN	N#CCC(=O)N1CCCCC1	 
COc1ccccc1NN	ZINC000000078213	92/60/11/342926011	FGODPVCKFLEVFG-UHFFFAOYSA-N	0	138.17	AC	0.981	0	Anodyne	ref	ACAARN	COc1ccccc1NN	 
Cc1nn(C)cc1[N+](=O)[O-]	ZINC000000085312	98/57/41/168985741	AKFKERAVXIGUNB-UHFFFAOYSA-N	0	141.13	AC	0.637	0	Bother	ref	ACBARN	Cc1nn(C)cc1[N+](=O)[O-]	 
O=C1COc2ccc(C(=O)O)cc2N1	ZINC000000091923	37/96/90/169379690	CIYUDMUBYRVMLP-UHFFFAOYSA-N	-1	193.158	AC	0.716	0	Anodyne	ref	ACAARM	O=C1COc2ccc(C(=O)[O-])cc2N1	 
N#CCC(=O)NCc1ccccn1	ZINC000000092028	92/65/42/342926542	FAJRBOZBEUZSRG-UHFFFAOYSA-N	0	175.191	AC	0.611	0	Mild	ref	ACEARN	N#CCC(=O)NCc1ccccn1	 
NC[C@@H](O)c1cccc(O)c1	ZINC000000119283	20/47/92/169204792	LRCXRAABFLIVAI-MRVPVSSYSA-N	1	153.181	AC	0.384	0	Anodyne	ref	ACAARO	[NH3+]C[C@@H](O)c1cccc(O)c1	in-man
NC[C@H](O)c1cccc(O)c1	ZINC000000119286	21/41/32/169214132	LRCXRAABFLIVAI-QMMMGPOBSA-N	1	153.181	AC	0.384	0	Anodyne	ref	ACAARO	[NH3+]C[C@H](O)c1cccc(O)c1	in-man
CCc1nnc(CC)n1N	ZINC000000122161	92/72/90/342927290	PLSFAHFBTFAYIR-UHFFFAOYSA-N	0	140.19	AC	0.117	0	Anodyne	ref	ACAARN	CCc1nnc(CC)n1N	 
CCOC(=O)c1cc(C)n(C)n1	ZINC000000124185	36/80/53/167368053	OJPXVXXMBWKEAT-UHFFFAOYSA-N	0	168.196	AC	0.905	0	Anodyne	ref	ACAARN	CCOC(=O)c1cc(C)n(C)n1	 
Cc1nc2ccccc2c(=O)n1N	ZINC000000126191	92/74/39/342927439	IQOUPYQSZBDNAW-UHFFFAOYSA-N	0	175.191	AC	0.419	0	Anodyne	ref	ACAARN	Cc1nc2ccccc2c(=O)n1N	 
NC(=O)c1ccc(C(=O)O)s1	ZINC000000128802	92/76/45/342927645	QHUQNZMROQKPRS-UHFFFAOYSA-N	-1	171.177	AC	0.545	0	Anodyne	ref	ACAARM	NC(=O)c1ccc(C(=O)[O-])s1	 
N#CCC(=O)NCc1ccco1	ZINC000000138614	92/77/53/342927753	NICPABBXIAAASM-UHFFFAOYSA-N	0	164.164	AC	0.809	0	Mild	ref	ACEARN	N#CCC(=O)NCc1ccco1	 
Cc1nn(C)c(C)c1[N+](=O)[O-]	ZINC000000141169	92/81/02/342928102	YSZYFGMARJFMJK-UHFFFAOYSA-N	0	155.157	AC	0.945	0	Bother	ref	ACBARN	Cc1nn(C)c(C)c1[N+](=O)[O-]	 
N#CCC(=O)NC[C@@H]1CCCO1	ZINC000000143842	09/37/81/169093781	WQPYFXKRRMIJFM-ZETCQYMHSA-N	0	168.196	AC	0.195	0	Mild	ref	ACEARN	N#CCC(=O)NC[C@@H]1CCCO1	 
CC(C)(C)N1C[C@@H](C(=O)O)CC1=O	ZINC000000151460	36/02/57/166360257	VDUOOJKMVVKJKA-LURJTMIESA-N	-1	185.223	AC	0.718	0	Anodyne	ref	ACAARM	CC(C)(C)N1C[C@@H](C(=O)[O-])CC1=O	 
CC(C)(C)N1C[C@H](C(=O)O)CC1=O	ZINC000000151461	36/12/41/166361241	VDUOOJKMVVKJKA-ZCFIWIBFSA-N	-1	185.223	AC	0.718	0	Anodyne	ref	ACAARM	CC(C)(C)N1C[C@H](C(=O)[O-])CC1=O	 
COc1ccc(N)c(N)c1	ZINC000000152529	25/50/30/168255030	AGAHETWGCFCMDK-UHFFFAOYSA-N	0	138.17	AC	0.86	0	Anodyne	ref	ACAARN	COc1ccc(N)c(N)c1	in-vitro
Cc1ccc(O)c(CO)n1	ZINC000000152878	92/85/56/342928556	PAGTXDLKXRBHFL-UHFFFAOYSA-N	0	139.154	AC	0.588	0	Anodyne	ref	ACAARN	Cc1ccc(O)c(CO)n1	in-vitro
CC1=NNC(=O)CC1	ZINC000000152911	92/85/58/342928558	VOTFXESXPPEARL-UHFFFAOYSA-N	0	112.132	AC	0.272	0	Anodyne	ref	ACAARN	CC1=NNC(=O)CC1	 
CS(=O)(=O)c1ccc(N)cc1	ZINC000000153753	29/46/07/168294607	XJEVFFNOMKXBLU-UHFFFAOYSA-N	0	171.221	AC	0.672	0	Anodyne	ref	ACAARN	CS(=O)(=O)c1ccc(N)cc1	 
NC(=O)c1ccnc(Cl)c1	ZINC000000154099	92/86/10/342928610	DEMJOLRJLACBRX-UHFFFAOYSA-N	0	156.572	AC	0.834	0	Anodyne	ref	ACAARN	NC(=O)c1ccnc(Cl)c1	 
O=C1COc2cccnc2N1	ZINC000000155857	37/94/07/169379407	ANHQLUBMNSSPBV-UHFFFAOYSA-N	0	150.137	AC	0.412	0	Anodyne	ref	ACAARN	O=C1COc2cccnc2N1	 
CN(C)CCCC(=O)O	ZINC000000157327	83/26/76/167832676	OXOWTLDONRGYOT-UHFFFAOYSA-N	0	131.175	AC	0.413	0	Anodyne	ref	ACAARN	C[NH+](C)CCCC(=O)[O-]	 
NC[C@H]1COc2ccccc2O1	ZINC000000158539	21/70/30/169217030	JHNURUNMNRSGRO-ZETCQYMHSA-N	1	165.192	AC	0.785	0	Anodyne	ref	ACAARO	[NH3+]C[C@H]1COc2ccccc2O1	 
O=C(O)c1ccoc1	ZINC000000158556	35/95/65/169359565	IHCCAYCGZOLTEU-UHFFFAOYSA-N	-1	112.084	AC	0.978	0	Anodyne	ref	ACAARM	O=C([O-])c1ccoc1	in-man endogenous
Cn1cccc1CN	ZINC000000158567	04/97/67/169049767	GGCBARJYVAPZJQ-UHFFFAOYSA-N	0	110.16	AC	0.484	3	Anodyne	high	ACAAHN	Cn1cccc1CN	in-vitro
Cn1cccc1CN	ZINC000000158567	04/97/66/169049766	GGCBARJYVAPZJQ-UHFFFAOYSA-N	1	110.16	AC	0.484	0	Anodyne	ref	ACAARO	Cn1cccc1C[NH3+]	in-vitro
Cc1cc(C(=O)O)n(C)n1	ZINC000000158733	92/97/72/342929772	QRWZFUBHOQWUGH-UHFFFAOYSA-N	-1	140.142	AC	0.427	0	Anodyne	ref	ACAARM	Cc1cc(C(=O)[O-])n(C)n1	 
Cc1cc(C(=O)O)nn1C	ZINC000000158737	92/97/21/342929721	PXRXGHUTKHXUGF-UHFFFAOYSA-N	-1	140.142	AC	0.427	0	Anodyne	ref	ACAARM	Cc1cc(C(=O)[O-])nn1C	 
Cc1nn(C)c(C)c1N	ZINC000000159651	92/97/14/342929714	SSDGMKHZMNTWLS-UHFFFAOYSA-N	0	125.175	AC	0.619	0	Anodyne	ref	ACAARN	Cc1nn(C)c(C)c1N	 
Nc1ccncc1N	ZINC000000164000	30/11/00/169301100	OYTKINVCDFNREN-UHFFFAOYSA-N	1	109.132	AC	0.246	0	Anodyne	ref	ACAARO	Nc1cc[nH+]cc1N	world
O=C(O)Cn1c(=O)oc2ccccc21	ZINC000000164126	34/47/44/169344744	PHIUXGVYFVAGTC-UHFFFAOYSA-N	-1	193.158	AC	0.679	0	Anodyne	ref	ACAARM	O=C([O-])Cn1c(=O)oc2ccccc21	 
NCCc1ccccn1	ZINC000000164395	19/78/71/169197871	XPQIPUZPSLAZDV-UHFFFAOYSA-N	1	122.171	AC	0.583	0	Anodyne	ref	ACAARO	[NH3+]CCc1ccccn1	investigational
NS(=O)(=O)C#Cc1ccccc1	ZINC000000164402	24/12/33/169241233	ZZUZYEMRHCMVTB-UHFFFAOYSA-N	0	181.216	AC	0.284	0	Mild	ref	ACEARN	NS(=O)(=O)C#Cc1ccccc1	in-vitro
Cc1ncc(C#N)c(N)n1	ZINC000000165358	93/08/96/342930896	YBPNIILOUYAGIF-UHFFFAOYSA-N	0	134.142	AC	0.239	0	Mild	ref	ACEARN	Cc1ncc(C#N)c(N)n1	in-vitro
CCOC(=O)c1cc(C)nn1C	ZINC000000166539	36/79/73/167367973	ZYSGPOXVDOROJU-UHFFFAOYSA-N	0	168.196	AC	0.905	0	Anodyne	ref	ACAARN	CCOC(=O)c1cc(C)nn1C	 
Nc1noc2ncccc12	ZINC000000168472	31/17/91/169311791	NIHLEQFZWNKMEY-UHFFFAOYSA-N	0	135.126	AC	0.805	0	Anodyne	ref	ACAARN	Nc1noc2ncccc12	 
N[C@H](CC(=O)O)c1cccc(O)c1	ZINC000000170343	26/41/78/169264178	NYHNEKBZZXSUNO-MRVPVSSYSA-N	0	181.191	AC	0.867	0	Anodyne	ref	ACAARN	[NH3+][C@H](CC(=O)[O-])c1cccc(O)c1	 
N[C@@H](CC(=O)O)c1cccc(O)c1	ZINC000000170344	24/28/53/169242853	NYHNEKBZZXSUNO-QMMMGPOBSA-N	0	181.191	AC	0.867	0	Anodyne	ref	ACAARN	[NH3+][C@@H](CC(=O)[O-])c1cccc(O)c1	 
CCOC(=O)[C@H]1CCCNC1=O	ZINC000000173697	36/13/93/167361393	DUMNOWYWTAYLJN-LURJTMIESA-N	0	171.196	AC	0.076	3	Anodyne	high	ACAAHN	CCOC(=O)C1CCCNC1=O	 
CCOC(=O)[C@H]1CCCNC1=O	ZINC000000173697	36/13/91/167361391	DUMNOWYWTAYLJN-LURJTMIESA-N	0	171.196	AC	0.076	0	Anodyne	ref	ACAARN	CCOC(=O)[C@H]1CCCNC1=O	 
CCOC(=O)[C@@H]1CCCNC1=O	ZINC000000173698	35/20/55/167352055	DUMNOWYWTAYLJN-ZCFIWIBFSA-N	0	171.196	AC	0.076	3	Anodyne	high	ACAAHN	CCOC(=O)C1CCCNC1=O	 
CCOC(=O)[C@@H]1CCCNC1=O	ZINC000000173698	35/20/52/167352052	DUMNOWYWTAYLJN-ZCFIWIBFSA-N	0	171.196	AC	0.076	0	Anodyne	ref	ACAARN	CCOC(=O)[C@@H]1CCCNC1=O	 
Cc1cc(N)n2nc(C)cc2n1	ZINC000000208676	93/16/75/342931675	PTDZZLRAEVFJCM-UHFFFAOYSA-N	0	162.196	AC	0.928	0	Anodyne	ref	ACAARN	Cc1cc(N)n2nc(C)cc2n1	 
Cn1c(=O)n(C)c2cc(CN)ccc21	ZINC000000215305	02/98/68/169029868	GDVGETHSXBLPHM-UHFFFAOYSA-N	1	191.234	AC	0.336	0	Anodyne	ref	ACAARO	Cn1c(=O)n(C)c2cc(C[NH3+])ccc21	 
O=C(c1ccccc1)N1CCNCC1	ZINC000000235748	36/27/49/169362749	VUNXBQRNMNVUMV-UHFFFAOYSA-N	0	190.246	AC	0.732	1	Anodyne	mid	ACAAMN	O=C(c1ccccc1)N1CCNCC1	 
O=C(c1ccccc1)N1CCNCC1	ZINC000000235748	36/27/47/169362747	VUNXBQRNMNVUMV-UHFFFAOYSA-N	1	190.246	AC	0.732	0	Anodyne	ref	ACAARO	O=C(c1ccccc1)N1CC[NH2+]CC1	 
Clc1ccc2nncn2n1	ZINC000000240318	02/31/86/169023186	OUNXXBYNOUBNPF-UHFFFAOYSA-N	0	154.56	AC	0.778	0	Anodyne	ref	ACAARN	Clc1ccc2nncn2n1	 
O=C(O)[C@H]1CC(=O)N(C2CCCC2)C1	ZINC000000266732	35/15/26/169351526	DZQZKPNTCXAUKJ-ZETCQYMHSA-N	-1	197.234	AC	0.862	0	Anodyne	ref	ACAARM	O=C([O-])[C@H]1CC(=O)N(C2CCCC2)C1	 
O=C(O)[C@@H]1CC(=O)N(C2CCCC2)C1	ZINC000000266734	34/58/04/169345804	DZQZKPNTCXAUKJ-SSDOTTSWSA-N	-1	197.234	AC	0.862	0	Anodyne	ref	ACAARM	O=C([O-])[C@@H]1CC(=O)N(C2CCCC2)C1	 
O=C(O)c1n[nH]c(=O)c2ccccc12	ZINC000000266969	36/12/09/169361209	YHNOBCUFJJRVOP-UHFFFAOYSA-N	-1	190.158	AC	0.621	0	Anodyne	ref	ACAARM	O=C([O-])c1n[nH]c(=O)c2ccccc12	 
COC(=O)Cn1cc([N+](=O)[O-])nc1C	ZINC000000269034	09/83/34/168098334	UBPSDJINTHTAGK-UHFFFAOYSA-N	0	199.166	AC	0.273	0	Bother	ref	ACBARN	COC(=O)Cn1cc([N+](=O)[O-])nc1C	 
Cn1c(=O)n(C)c2cc(N)ccc21	ZINC000000272516	02/97/64/169029764	JHKRQZQRGCCWOO-UHFFFAOYSA-N	0	177.207	AC	0.459	0	Anodyne	ref	ACAARN	Cn1c(=O)n(C)c2cc(N)ccc21	in-vitro
CCn1cc(CO)c(C)n1	ZINC000000283468	93/28/73/342932873	DEJRCKAOAKAAHB-UHFFFAOYSA-N	0	140.186	AC	0.704	0	Anodyne	ref	ACAARN	CCn1cc(CO)c(C)n1	 
CCn1ncc(CO)c1C	ZINC000000283469	80/96/64/167809664	FGYVPWYZXQJMNO-UHFFFAOYSA-N	0	140.186	AC	0.704	0	Anodyne	ref	ACAARN	CCn1ncc(CO)c1C	 
NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2	ZINC000000289629	17/34/87/169173487	HMPCLMSUNVOZLH-ALPUWHEMSA-N	1	167.252	AC	0.885	0	Anodyne	ref	ACAARO	[NH3+]C1[C@H]2CC3C[C@@H]1CC(O)(C3)C2	 
O=C(O)CCC(=O)N1CCCCC1	ZINC000000294579	99/35/60/170993560	SMBUFGWVLVTFDO-UHFFFAOYSA-N	-1	185.223	AC	0.864	0	Anodyne	ref	ACAARM	O=C([O-])CCC(=O)N1CCCCC1	 
NCc1n[nH]c(=O)c2ccccc12	ZINC000000329849	22/88/77/169228877	BCORFYODLSYUNB-UHFFFAOYSA-N	0	175.191	AC	0.382	3	Anodyne	high	ACAAHN	NCc1n[nH]c(=O)c2ccccc12	 
NCc1n[nH]c(=O)c2ccccc12	ZINC000000329849	22/88/74/169228874	BCORFYODLSYUNB-UHFFFAOYSA-N	1	175.191	AC	0.382	0	Anodyne	ref	ACAARO	[NH3+]Cc1n[nH]c(=O)c2ccccc12	 
CNc1cc(Cl)nc(N)n1	ZINC000000330446	06/52/95/168065295	CXWJDRREGHIEMH-UHFFFAOYSA-N	0	158.592	AC	0.754	0	Anodyne	ref	ACAARN	CNc1cc(Cl)nc(N)n1	 
O=C(O)Cn1cccc1	ZINC000000332065	34/47/67/169344767	CHRZYRWWZQCZBV-UHFFFAOYSA-N	-1	125.127	AC	0.573	0	Anodyne	ref	ACAARM	O=C([O-])Cn1cccc1	 
Nc1ccc(C(=O)O)cn1	ZINC000000334127	29/16/40/169291640	ZCIFWRHIEBXBOY-UHFFFAOYSA-N	0	138.126	AC	0.362	2	Anodyne	low	ACAALN	Nc1ccc(C(=O)[O-])c[nH+]1	in-vitro
Nc1ccc(C(=O)O)cn1	ZINC000000334127	29/16/39/169291639	ZCIFWRHIEBXBOY-UHFFFAOYSA-N	-1	138.126	AC	0.362	0	Anodyne	ref	ACAARM	Nc1ccc(C(=O)[O-])cn1	in-vitro
N#Cc1cnn2cccnc12	ZINC000000334802	13/07/20/169130720	RRHORVAOECWFPT-UHFFFAOYSA-N	0	144.137	AC	0.601	0	Mild	ref	ACEARN	N#Cc1cnn2cccnc12	in-vitro
Nc1ccc(Cn2cncn2)cc1	ZINC000000337935	93/43/04/342934304	ZGLQVRIVLWGDNA-UHFFFAOYSA-N	0	174.207	AC	0.909	0	Clean	ref	ACCARN	Nc1ccc(Cn2cncn2)cc1	in-vitro
Cn1c(=O)n(C)c2cc(C=O)ccc21	ZINC000000369020	03/02/70/169030270	PFRNWHRHGONGPG-UHFFFAOYSA-N	0	190.202	AC	0.689	0	Anodyne	ref	ACAARN	Cn1c(=O)n(C)c2cc(C=O)ccc21	 
Cc1cc2ncc([N+](=O)[O-])cn2n1	ZINC000000370719	93/53/08/342935308	ISYFTACZOMWTCK-UHFFFAOYSA-N	0	178.151	AC	0.946	0	Bother	ref	ACBARN	Cc1cc2ncc([N+](=O)[O-])cn2n1	 
N#CCC(=O)NCc1ccncc1	ZINC000000372245	93/51/66/342935166	ACPRFCGKSGKRCH-UHFFFAOYSA-N	0	175.191	AC	0.611	0	Mild	ref	ACEARN	N#CCC(=O)NCc1ccncc1	 
Nc1cccc2n[nH]nc12	ZINC000000372332	29/75/49/169297549	ZDWPBMJZDNXTPG-UHFFFAOYSA-N	0	134.142	AC	0.54	1	Anodyne	mid	ACAAMN	Nc1cccc2[nH]nnc12	 
Nc1cccc2n[nH]nc12	ZINC000000372332	29/75/47/169297547	ZDWPBMJZDNXTPG-UHFFFAOYSA-N	0	134.142	AC	0.54	0	Anodyne	ref	ACAARN	Nc1cccc2n[nH]nc12	 
Cc1cc(C(=O)O)on1	ZINC000000389129	93/60/39/342936039	HXIYCKAAQPHZBM-UHFFFAOYSA-N	-1	127.099	AC	0.681	0	Anodyne	ref	ACAARM	Cc1cc(C(=O)[O-])on1	 
c1cnc2ncnn2c1	ZINC000000389493	27/79/36/351277936	SRNKZYRMFBGSGE-UHFFFAOYSA-N	0	120.115	AC	0.124	0	Anodyne	ref	ACAARN	c1cnc2ncnn2c1	 
NCc1ccccc1N	ZINC000000389679	22/47/27/169224727	GVOYKJPMUUJXBS-UHFFFAOYSA-N	0	122.171	AC	0.728	3	Anodyne	high	ACAAHN	NCc1ccccc1N	 
NCc1ccccc1N	ZINC000000389679	22/47/26/169224726	GVOYKJPMUUJXBS-UHFFFAOYSA-N	1	122.171	AC	0.728	0	Anodyne	ref	ACAARO	Nc1ccccc1C[NH3+]	 
COc1ccc(C(=N)N)cc1	ZINC000000391171	24/40/54/168244054	CSISQILZUHMAJB-UHFFFAOYSA-N	1	150.181	AC	0.979	0	Anodyne	ref	ACAARO	COc1ccc(C(N)=[NH2+])cc1	in-vitro
CNCc1ccco1	ZINC000000394385	02/03/24/168020324	DGLIOWSKNOCHEX-UHFFFAOYSA-N	0	111.144	AC	0.999	3	Anodyne	high	ACAAHN	CNCc1ccco1	 
CNCc1ccco1	ZINC000000394385	02/03/21/168020321	DGLIOWSKNOCHEX-UHFFFAOYSA-N	1	111.144	AC	0.999	0	Anodyne	ref	ACAARO	C[NH2+]Cc1ccco1	 
O=C(O)CCC(=O)N1CCCC1	ZINC000000397852	14/23/43/229142343	ADSJBLXBDQWPHY-UHFFFAOYSA-N	-1	171.196	AC	0.474	0	Anodyne	ref	ACAARM	O=C([O-])CCC(=O)N1CCCC1