NC1(C(=O)O)CCCC1	ZINC000000001234	16/89/63/169168963	NILQLFBWTXNUOE-UHFFFAOYSA-N	0	129.159	AC	0.342	0	Anodyne	ref	ACAARN	[NH3+]C1(C(=O)[O-])CCCC1	in-vivo
Nc1nc(-c2ccncc2)cc(=O)[nH]1	ZINC000000025651	30/45/72/169304572	IOKLRUQDALYCPZ-UHFFFAOYSA-N	-1	188.19	AC	0.414	3	Anodyne	high	ACABHM	Nc1nc(-c2ccncc2)cc(=O)[n-]1	 
Nc1nc(-c2ccncc2)cc(=O)[nH]1	ZINC000000025651	30/45/71/169304571	IOKLRUQDALYCPZ-UHFFFAOYSA-N	0	188.19	AC	0.414	0	Anodyne	ref	ACABRN	Nc1nc(-c2ccncc2)cc(=O)[nH]1	 
O=C(O)c1ccc(-n2cnnn2)cc1	ZINC000000036461	35/78/82/169357882	DNFUQGMGGZFYPL-UHFFFAOYSA-N	-1	190.162	AC	0.36	0	Anodyne	ref	ACAARM	O=C([O-])c1ccc(-n2cnnn2)cc1	 
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	 
COC(=O)c1ccc(C(=O)OC)nc1	ZINC000000076763	13/08/89/168130889	TUGSJNQAIMFEDY-UHFFFAOYSA-N	0	195.174	AC	0.655	0	Anodyne	ref	ACAARN	COC(=O)c1ccc(C(=O)OC)nc1	 
O=C(O)c1ccncn1	ZINC000000081626	35/93/80/169359380	YPOXGDJGKBXRFP-UHFFFAOYSA-N	-1	124.099	AC	0.175	0	Anodyne	ref	ACAARM	O=C([O-])c1ccncn1	in-vitro
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	 
Cc1sc2[nH]c(=O)[nH]c(=O)c2c1C	ZINC000000098604	01/52/52/169015252	DBDWJBNPOZKDOJ-UHFFFAOYSA-N	0	196.231	AC	0.895	0	Anodyne	ref	ACAARN	Cc1sc2[nH]c(=O)[nH]c(=O)c2c1C	 
NC1(C(=O)O)CCCCC1	ZINC000000116197	16/92/31/169169231	WOXWUZCRWJWTRT-UHFFFAOYSA-N	0	143.186	AC	0.733	0	Anodyne	ref	ACAARN	[NH3+]C1(C(=O)[O-])CCCCC1	in-vitro
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	 
Nc1nnc([C@@H]2CCCO2)s1	ZINC000000147187	31/08/23/169310823	OPDRNIZRTJOIEJ-BYPYZUCNSA-N	0	171.225	AC	0.972	0	Anodyne	ref	ACAARN	Nc1nnc([C@@H]2CCCO2)s1	 
Nc1nnc([C@H]2CCCO2)s1	ZINC000000147188	31/08/06/169310806	OPDRNIZRTJOIEJ-SCSAIBSYSA-N	0	171.225	AC	0.972	0	Anodyne	ref	ACAARN	Nc1nnc([C@H]2CCCO2)s1	 
Cn1c(CO)c[nH]c1=S	ZINC000000153323	03/29/93/169032993	GXYFRGKYSBWAEO-UHFFFAOYSA-N	0	144.199	AC	0.575	0	Anodyne	ref	ACAARN	Cn1c(CO)c[nH]c1=S	 
O=C(O)Cc1cccc(CC(=O)O)c1	ZINC000000157058	34/44/21/169344421	GDYYIJNDPMFMTB-UHFFFAOYSA-N	-2	194.186	AC	0.941	0	Anodyne	ref	ACAARL	O=C([O-])Cc1cccc(CC(=O)[O-])c1	 
CN(CCO)c1ccccn1	ZINC000000167422	93/09/13/342930913	MWGKOPUDDQZERY-UHFFFAOYSA-N	1	152.197	AC	0.51	2	Anodyne	low	ACAALO	CN(CCO)c1cccc[nH+]1	 
CN(CCO)c1ccccn1	ZINC000000167422	93/09/11/342930911	MWGKOPUDDQZERY-UHFFFAOYSA-N	0	152.197	AC	0.51	0	Anodyne	ref	ACAARN	CN(CCO)c1ccccn1	 
COC(=O)c1cccc(C(=O)OC)n1	ZINC000000190610	13/43/58/168134358	SNQQJEJPJMXYTR-UHFFFAOYSA-N	0	195.174	AC	0.655	0	Anodyne	ref	ACAARN	COC(=O)c1cccc(C(=O)OC)n1	 
O=C(O)c1cccc(-n2cnnn2)c1	ZINC000000198540	93/16/83/342931683	UNTMKIYQHROFCP-UHFFFAOYSA-N	-1	190.162	AC	0.36	0	Anodyne	ref	ACAARM	O=C([O-])c1cccc(-n2cnnn2)c1	 
O=C(O)c1cnn(-c2ccccc2)n1	ZINC000000234687	36/04/59/169360459	MXZFAZWAEXCZTR-UHFFFAOYSA-N	-1	189.174	AC	0.965	0	Anodyne	ref	ACAARM	O=C([O-])c1cnn(-c2ccccc2)n1	 
COC(=O)c1ccc(CO)nc1	ZINC000000289111	13/25/67/168132567	QVLONHSXRWCCAE-UHFFFAOYSA-N	0	167.164	AC	0.36	0	Anodyne	ref	ACAARN	COC(=O)c1ccc(CO)nc1	 
N#Cc1cccnc1	ZINC000000331637	12/64/96/169126496	GZPHSAQLYPIAIN-UHFFFAOYSA-N	0	104.112	AC	0.953	0	Mild	ref	ACEARN	N#Cc1cccnc1	in-vitro
O=C(O)c1ccoc1C(=O)O	ZINC000000335250	35/98/07/169359807	DNXDYHALMANNEJ-UHFFFAOYSA-N	-2	156.093	AC	0.676	0	Anodyne	ref	ACAARL	O=C([O-])c1ccoc1C(=O)[O-]	 
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	 
CC(C)(C)C[C@H](N)C(=O)O	ZINC000000391810	35/63/74/166356374	LPBSHGLDBQBSPI-YFKPBYRVSA-N	0	145.202	AC	0.834	0	Anodyne	ref	ACAARN	CC(C)(C)C[C@H]([NH3+])C(=O)[O-]	in-vitro
CC(C)(C)C[C@@H](N)C(=O)O	ZINC000000391811	35/72/55/166357255	LPBSHGLDBQBSPI-RXMQYKEDSA-N	0	145.202	AC	0.834	0	Anodyne	ref	ACAARN	CC(C)(C)C[C@@H]([NH3+])C(=O)[O-]	 
CCn1nccc1C(=O)O	ZINC000000392139	93/68/26/342936826	FSMHDKRQCDWWGZ-UHFFFAOYSA-N	-1	140.142	AC	0.601	0	Anodyne	ref	ACAARM	CCn1nccc1C(=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
N=C(NO)c1ccncc1	ZINC000000436634	14/36/83/169143683	ZUUATXHRJFHSGO-UHFFFAOYSA-N	0	137.142	AC	0.386	3	Anodyne	high	ACAAHN	N=C(NO)c1ccncc1	in-vitro
N=C(NO)c1ccncc1	ZINC000000436634	14/36/82/169143682	ZUUATXHRJFHSGO-UHFFFAOYSA-N	0	137.142	AC	0.386	0	Anodyne	ref	ACAARN	[NH2+]=C(NO)c1ccncc1	in-vitro
NC(=O)c1cc(Cl)ccn1	ZINC000000494966	99/55/15/170995515	XIHHOUUTBZSYJH-UHFFFAOYSA-N	0	156.572	AC	0.834	0	Anodyne	ref	ACAARN	NC(=O)c1cc(Cl)ccn1	 
O=C(O)CN1CCCCC1	ZINC000000529593	34/00/90/169340090	VRDBIJCCXDEZJN-UHFFFAOYSA-N	0	143.186	AC	0.557	0	Anodyne	ref	ACAARN	O=C([O-])C[NH+]1CCCCC1	 
N#CCn1ccccc1=O	ZINC000000536182	10/61/64/169106164	DWDWZOINPDAWBD-UHFFFAOYSA-N	0	134.138	AC	0.372	0	Mild	ref	ACEARN	N#CCn1ccccc1=O	 
CN(C)C(=O)c1ccc(N)cc1	ZINC000000873888	82/91/02/167829102	QEPGWLBMAAEBCP-UHFFFAOYSA-N	0	164.208	AC	0.971	0	Anodyne	ref	ACAARN	CN(C)C(=O)c1ccc(N)cc1	 
Nc1ncnc(Cl)c1N	ZINC000000967452	31/03/32/169310332	VNSFICAUILKARD-UHFFFAOYSA-N	0	144.565	AC	0.294	0	Anodyne	ref	ACAARN	Nc1ncnc(Cl)c1N	in-vitro
Cn1nccc1C(=O)O	ZINC000001049740	21/53/05/171215305	JREJQAWGQCMSIY-UHFFFAOYSA-N	-1	126.115	AC	0.118	0	Anodyne	ref	ACAARM	Cn1nccc1C(=O)[O-]	in-vitro
COC(=O)c1cncc(N)c1	ZINC000001436270	13/60/88/168136088	MBGSRKHDEJNWED-UHFFFAOYSA-N	0	152.153	AC	0.45	0	Anodyne	ref	ACAARN	COC(=O)c1cncc(N)c1	 
O=C(O)c1cncnc1	ZINC000001494997	36/04/85/169360485	IIVUJUOJERNGQX-UHFFFAOYSA-N	-1	124.099	AC	0.175	0	Anodyne	ref	ACAARM	O=C([O-])c1cncnc1	 
CC(C)(N)CCC(=O)O	ZINC000001571163	28/77/70/351287770	FZNOWMWZNCOYIJ-UHFFFAOYSA-N	0	131.175	AC	0.588	0	Anodyne	ref	ACAARN	CC(C)([NH3+])CCC(=O)[O-]	 
O=Cc1cccc(S(=O)(=O)O)c1	ZINC000001640942	95/39/09/342953909	MRXZEDMLQMDMGB-UHFFFAOYSA-N	-1	186.188	AC	0.746	0	Anodyne	ref	ACAARM	O=Cc1cccc(S(=O)(=O)[O-])c1	 
NCCC(=O)NCc1ccccc1	ZINC000001674974	17/85/00/169178500	HUJKQHPTZJRELA-UHFFFAOYSA-N	1	178.235	AC	0.652	0	Anodyne	ref	ACAARO	[NH3+]CCC(=O)NCc1ccccc1	 
CNCCc1ccccn1	ZINC000001675415	00/17/91/168001791	UUQMNUMQCIQDMZ-UHFFFAOYSA-N	1	136.198	AC	0.843	0	Anodyne	ref	ACAARO	C[NH2+]CCc1ccccn1	world
CN1CCC(CO)CC1	ZINC000001705504	00/16/90/171001690	KJZLJGZZDNGGCA-UHFFFAOYSA-N	1	129.203	AC	0.321	0	Anodyne	ref	ACAARO	C[NH+]1CCC(CO)CC1	 
O=c1[nH]c(=O)c2cc(Cl)ccc2[nH]1	ZINC000001733357	00/19/10/171001910	IGWJEWGQUFOVDP-UHFFFAOYSA-N	0	196.593	AC	0.87	0	Anodyne	ref	ACAARN	O=c1[nH]c(=O)c2cc(Cl)ccc2[nH]1	 
C[C@H]1CC[C@@H](C(=O)O)N1	ZINC000001733832	21/49/61/171214961	YNSYWEFVEIFJPZ-WHFBIAKZSA-N	0	129.159	AC	0.212	0	Anodyne	ref	ACAARN	C[C@H]1CC[C@@H](C(=O)[O-])[NH2+]1	 
C[C@@H]1CC[C@@H](C(=O)O)N1	ZINC000001733833	43/69/31/168436931	YNSYWEFVEIFJPZ-UHNVWZDZSA-N	0	129.159	AC	0.212	0	Anodyne	ref	ACAARN	C[C@@H]1CC[C@@H](C(=O)[O-])[NH2+]1	 
C[C@H]1CC[C@H](C(=O)O)N1	ZINC000001733834	96/30/75/342963075	YNSYWEFVEIFJPZ-CRCLSJGQSA-N	0	129.159	AC	0.212	0	Anodyne	ref	ACAARN	C[C@H]1CC[C@H](C(=O)[O-])[NH2+]1	 
C[C@@H]1CC[C@H](C(=O)O)N1	ZINC000001733835	29/86/18/351298618	YNSYWEFVEIFJPZ-RFZPGFLSSA-N	0	129.159	AC	0.212	0	Anodyne	ref	ACAARN	C[C@@H]1CC[C@H](C(=O)[O-])[NH2+]1	 
CN1C(=O)C(Cl)=C(Cl)C1=O	ZINC000001756251	00/27/10/171002710	PYOLPWAVSYVLMM-UHFFFAOYSA-N	0	179.99	AC	0.674	0	Anodyne	ref	ACAARN	CN1C(=O)C(Cl)=C(Cl)C1=O	 
Nc1ncc(C(=O)O)s1	ZINC000001762884	30/75/20/169307520	ZFMRDDYYJJCBKC-UHFFFAOYSA-N	-1	144.155	AC	0.424	0	Anodyne	ref	ACAARM	Nc1ncc(C(=O)[O-])s1	 
C=CCO[C@@H](C)CO	ZINC000002039621	81/99/97/526819997	BQKZEKVKJUIRGH-LURJTMIESA-N	0	116.16	AC	0.57	0	Mild	ref	ACEBRN	C=CCO[C@@H](C)CO	 
CNCc1cn(C)nc1C	ZINC000002388762	01/98/49/168019849	VRIUFQOIUWBJCX-UHFFFAOYSA-N	0	139.202	AC	0.448	3	Anodyne	high	ACAAHN	CNCc1cn(C)nc1C	 
CNCc1cn(C)nc1C	ZINC000002388762	01/98/48/168019848	VRIUFQOIUWBJCX-UHFFFAOYSA-N	1	139.202	AC	0.448	0	Anodyne	ref	ACAARO	C[NH2+]Cc1cn(C)nc1C	 
Nc1ccnc(C(=O)O)c1	ZINC000002456180	29/95/57/169299557	JRZBTJVSAANBEV-UHFFFAOYSA-N	0	138.126	AC	0.362	2	Anodyne	low	ACAALN	Nc1cc[nH+]c(C(=O)[O-])c1	in-vitro
Nc1ccnc(C(=O)O)c1	ZINC000002456180	29/95/54/169299554	JRZBTJVSAANBEV-UHFFFAOYSA-N	-1	138.126	AC	0.362	0	Anodyne	ref	ACAARM	Nc1ccnc(C(=O)[O-])c1	in-vitro
Cn1cc(CCC(=O)O)cn1	ZINC000002537712	03/83/36/169038336	ZTSFRVGFCBTSDZ-UHFFFAOYSA-N	-1	154.169	AC	0.437	0	Anodyne	ref	ACAARM	Cn1cc(CCC(=O)[O-])cn1	 
CCCn1nccc1C(=O)O	ZINC000002537967	12/57/82/167125782	WGJWTCXVNOHDSG-UHFFFAOYSA-N	-1	154.169	AC	0.991	0	Anodyne	ref	ACAARM	CCCn1nccc1C(=O)[O-]	 
NOCC1CC1	ZINC000002540003	23/96/05/169239605	YHNRUSMOYCDMJS-UHFFFAOYSA-N	0	87.122	AC	0.287	0	Anodyne	ref	ACAARN	NOCC1CC1	in-vitro
Cn1nccc1C=O	ZINC000002559423	00/73/75/171007375	RAJRANFZSWDUJZ-UHFFFAOYSA-N	0	110.116	AC	0.233	0	Anodyne	ref	ACAARN	Cn1nccc1C=O	 
Cc1noc(C)c1CC(=O)O	ZINC000002559697	97/66/37/342976637	ZEONKMXUCHNYRN-UHFFFAOYSA-N	-1	155.153	AC	0.919	0	Anodyne	ref	ACAARM	Cc1noc(C)c1CC(=O)[O-]	 
O=C(O)c1ccc(F)cn1	ZINC000002599027	35/72/19/169357219	JTKFIIQGMVKDNZ-UHFFFAOYSA-N	-1	141.101	AC	0.919	0	Anodyne	ref	ACAARM	O=C([O-])c1ccc(F)cn1	 
Cc1n[nH]c(C)c1CC(=O)O	ZINC000002707791	97/97/19/342979719	HHILOQLQBYEUTP-UHFFFAOYSA-N	-1	154.169	AC	0.654	0	Anodyne	ref	ACAARM	Cc1n[nH]c(C)c1CC(=O)[O-]	 
NCc1nnc2ccccn12	ZINC000003349709	23/30/06/169233006	NXNFOXNYOMPDMW-UHFFFAOYSA-N	0	148.169	AC	0.188	1	Anodyne	mid	ACAAMN	NCc1nnc2ccccn12	 
NCc1nnc2ccccn12	ZINC000003349709	23/30/05/169233005	NXNFOXNYOMPDMW-UHFFFAOYSA-N	1	148.169	AC	0.188	0	Anodyne	ref	ACAARO	[NH3+]Cc1nnc2ccccn12	 
Oc1cc2c(cc1O)CNCC2	ZINC000003847413	32/01/44/351320144	MBFUSGLXKQWVDW-UHFFFAOYSA-N	0	165.192	AC	0.743	3	Clean	high	ACCAHN	Oc1cc2c(cc1O)CNCC2	in-man endogenous
Oc1cc2c(cc1O)CNCC2	ZINC000003847413	32/01/40/351320140	MBFUSGLXKQWVDW-UHFFFAOYSA-N	1	165.192	AC	0.743	0	Clean	ref	ACCARO	Oc1cc2c(cc1O)C[NH2+]CC2	in-man endogenous
O=c1[nH]c(=O)c2sccc2[nH]1	ZINC000003866599	01/01/70/171010170	QAFVXBQPQCSSLI-UHFFFAOYSA-N	0	168.177	AC	0.278	0	Anodyne	ref	ACAARN	O=c1[nH]c(=O)c2sccc2[nH]1	 
C1CC[C@@H](CCN2CCOCC2)NC1	ZINC000003882650	09/19/99/166091999	FUJBQZFRRCQXTB-NSHDSACASA-N	2	198.31	AC	0.851	2	Anodyne	low	ACAALP	C1CC[C@@H](CC[NH+]2CCOCC2)[NH2+]C1	 
C1CC[C@@H](CCN2CCOCC2)NC1	ZINC000003882650	09/19/98/166091998	FUJBQZFRRCQXTB-NSHDSACASA-N	1	198.31	AC	0.851	0	Anodyne	ref	ACAARO	C1CC[C@@H](CCN2CCOCC2)[NH2+]C1	 
C1CC[C@H](CCN2CCOCC2)NC1	ZINC000003882651	09/50/66/166095066	FUJBQZFRRCQXTB-LLVKDONJSA-N	2	198.31	AC	0.851	2	Anodyne	low	ACAALP	C1CC[C@H](CC[NH+]2CCOCC2)[NH2+]C1	 
C1CC[C@H](CCN2CCOCC2)NC1	ZINC000003882651	09/50/64/166095064	FUJBQZFRRCQXTB-LLVKDONJSA-N	1	198.31	AC	0.851	0	Anodyne	ref	ACAARO	C1CC[C@H](CCN2CCOCC2)[NH2+]C1	 
Nc1nc(N)c2c(n1)CCCC2	ZINC000003898886	30/61/97/169306197	ILYYGQJVLQUTAM-UHFFFAOYSA-N	0	164.212	AC	0.52	1	Anodyne	mid	ACAAMN	Nc1nc(N)c2c(n1)CCCC2	 
Nc1nc(N)c2c(n1)CCCC2	ZINC000003898886	30/61/95/169306195	ILYYGQJVLQUTAM-UHFFFAOYSA-N	1	164.212	AC	0.52	0	Anodyne	ref	ACAARO	Nc1nc(N)c2c([nH+]1)CCCC2	 
COc1cccc(NC(=O)CN)c1	ZINC000004201694	26/99/59/168269959	KWEKVVGPSNAKEM-UHFFFAOYSA-N	0	180.207	AC	0.592	1	Anodyne	mid	ACAAMN	COc1cccc(NC(=O)CN)c1	 
COc1cccc(NC(=O)CN)c1	ZINC000004201694	26/99/58/168269958	KWEKVVGPSNAKEM-UHFFFAOYSA-N	1	180.207	AC	0.592	0	Anodyne	ref	ACAARO	COc1cccc(NC(=O)C[NH3+])c1	 
N[C@H]1CCc2ccccc2NC1=O	ZINC000004202641	27/76/32/169277632	AUAKXRGQXZRTQC-QMMMGPOBSA-N	0	176.219	AC	0.899	3	Anodyne	high	ACAAHN	N[C@H]1CCc2ccccc2NC1=O	 
N[C@H]1CCc2ccccc2NC1=O	ZINC000004202641	27/76/31/169277631	AUAKXRGQXZRTQC-QMMMGPOBSA-N	1	176.219	AC	0.899	0	Anodyne	ref	ACAARO	[NH3+][C@H]1CCc2ccccc2NC1=O	 
N[C@@H]1CCc2ccccc2NC1=O	ZINC000004202642	25/66/40/169256640	AUAKXRGQXZRTQC-MRVPVSSYSA-N	0	176.219	AC	0.899	3	Anodyne	high	ACAAHN	N[C@@H]1CCc2ccccc2NC1=O	 
N[C@@H]1CCc2ccccc2NC1=O	ZINC000004202642	25/66/38/169256638	AUAKXRGQXZRTQC-MRVPVSSYSA-N	1	176.219	AC	0.899	0	Anodyne	ref	ACAARO	[NH3+][C@@H]1CCc2ccccc2NC1=O	 
N/C(COc1ccccc1)=N\O	ZINC000004218352	13/28/71/169132871	BIIYCNCZOGOUJP-UHFFFAOYSA-N	0	166.18	AC	0.812	0	Mild	ref	ACEARN	N/C(COc1ccccc1)=N\O	 
NC[C@@H](O)c1cccnc1	ZINC000004245373	20/55/81/169205581	BTKNUYMZBBWHIM-SSDOTTSWSA-N	1	138.17	AC	0.074	0	Anodyne	ref	ACAARO	[NH3+]C[C@@H](O)c1cccnc1	 
NC[C@H](O)c1cccnc1	ZINC000004245374	21/39/68/169213968	BTKNUYMZBBWHIM-ZETCQYMHSA-N	1	138.17	AC	0.074	0	Anodyne	ref	ACAARO	[NH3+]C[C@H](O)c1cccnc1	 
CC1CCN(C(=O)[C@@H]2CCCN2)CC1	ZINC000004298632	74/80/64/166748064	MTKRMEXWJWUDTB-JTQLQIEISA-N	1	196.294	AC	0.997	0	Anodyne	ref	ACAARO	CC1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1	 
CC1CCN(C(=O)[C@H]2CCCN2)CC1	ZINC000004298633	99/04/53/342990453	MTKRMEXWJWUDTB-SNVBAGLBSA-N	1	196.294	AC	0.997	0	Anodyne	ref	ACAARO	CC1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1	 
Cc1nn(C)cc1CN	ZINC000004298950	99/05/29/342990529	VERSVOWJFSHXSI-UHFFFAOYSA-N	0	125.175	AC	0.187	3	Anodyne	high	ACAAHN	Cc1nn(C)cc1CN	in-vitro
Cc1nn(C)cc1CN	ZINC000004298950	99/05/26/342990526	VERSVOWJFSHXSI-UHFFFAOYSA-N	1	125.175	AC	0.187	0	Anodyne	ref	ACAARO	Cc1nn(C)cc1C[NH3+]	in-vitro
CC(C)Cc1cc(C(=O)O)nc(=O)[nH]1	ZINC000004384241	99/14/16/342991416	WDIFSCKLWBVBLR-UHFFFAOYSA-N	-1	196.206	AC	0.667	0	Anodyne	ref	ACAARM	CC(C)Cc1cc(C(=O)[O-])[nH]c(=O)n1	 
O=C(O)c1n[nH]c2ccccc2c1=O	ZINC000004634945	01/37/81/171013781	ZIPLRYYWAXPVMG-UHFFFAOYSA-N	-1	190.158	AC	0.621	1	Anodyne	mid	ACAAMM	O=C([O-])c1[nH+]nc2ccccc2c1[O-]	 
O=C(O)c1n[nH]c2ccccc2c1=O	ZINC000004634945	01/37/78/171013778	ZIPLRYYWAXPVMG-UHFFFAOYSA-N	-1	190.158	AC	0.621	0	Anodyne	ref	ACAARM	O=C([O-])c1nnc2ccccc2c1O	 
Nc1ncc(CC(=O)O)s1	ZINC000005161639	30/82/35/169308235	APIMXAGCLCGUGB-UHFFFAOYSA-N	0	158.182	AC	0.352	2	Anodyne	low	ACAALN	Nc1[nH+]cc(CC(=O)[O-])s1	 
Nc1ncc(CC(=O)O)s1	ZINC000005161639	30/82/34/169308234	APIMXAGCLCGUGB-UHFFFAOYSA-N	-1	158.182	AC	0.352	0	Anodyne	ref	ACAARM	Nc1ncc(CC(=O)[O-])s1	 
NCCc1cn2ccccc2n1	ZINC000005175392	19/90/64/169199064	CSIVCTHRYRVJCI-UHFFFAOYSA-N	2	161.208	AC	0.835	2	Anodyne	low	ACAALP	[NH3+]CCc1cn2ccccc2[nH+]1	in-vitro biogenic
NCCc1cn2ccccc2n1	ZINC000005175392	19/90/62/169199062	CSIVCTHRYRVJCI-UHFFFAOYSA-N	1	161.208	AC	0.835	0	Anodyne	ref	ACAARO	[NH3+]CCc1cn2ccccc2n1	in-vitro biogenic
O=C(O)Cc1cncs1	ZINC000006499760	34/40/08/169344008	KOQNISNMBYPFKQ-UHFFFAOYSA-N	-1	143.167	AC	0.77	0	Anodyne	ref	ACAARM	O=C([O-])Cc1cncs1	 
O=C(O)c1cnc(N2CCCC2)nc1	ZINC000006769676	35/97/89/169359789	BARCKZNRVNLERF-UHFFFAOYSA-N	-1	193.206	AC	0.775	0	Anodyne	ref	ACAARM	O=C([O-])c1cnc(N2CCCC2)nc1	 
N/C(C[S@](=O)c1ccccc1)=N/O	ZINC000006864540	13/30/97/169133097	TVKYGAOWCSLWRX-CYBMUJFWSA-N	0	198.247	AC	0.541	0	Mild	ref	ACEARN	N/C(C[S@](=O)c1ccccc1)=N/O	 
N/C(C[S@@](=O)c1ccccc1)=N/O	ZINC000006864542	13/25/98/169132598	TVKYGAOWCSLWRX-ZDUSSCGKSA-N	0	198.247	AC	0.541	0	Mild	ref	ACEARN	N/C(C[S@@](=O)c1ccccc1)=N/O	 
NC[C@H](O)COc1ccccc1	ZINC000008466322	21/23/57/169212357	JZEHWMUIAKALDN-QMMMGPOBSA-N	1	167.208	AC	0.385	0	Anodyne	ref	ACAARO	[NH3+]C[C@H](O)COc1ccccc1	 
N/C(Cc1nc2ccccc2[nH]1)=N\O	ZINC000008572357	13/27/61/169132761	WKGKAABDZKCWKQ-UHFFFAOYSA-N	0	190.206	AC	0.852	1	Mild	mid	ACEAMN	NC(Cc1nc2ccccc2[nH]1)=NO