Cc1cc(C)c(C#N)c(Cl)n1	ZINC000000053864	92/51/00/342925100	RETJKTAVEQPNMH-UHFFFAOYSA-N	0	166.611	AE	2.224	0	Mild	ref	AEEARN	Cc1cc(C)c(C#N)c(Cl)n1	 
Oc1ccc(-n2cccc2)cc1	ZINC000000054908	26/94/54/351269454	SSRBBYUGRMSIBT-UHFFFAOYSA-N	0	159.188	AE	2.183	0	Anodyne	ref	AEAARN	Oc1ccc(-n2cccc2)cc1	 
CCc1nc2ccccc2[nH]1	ZINC000000055212	92/51/13/342925113	QHCCOYAKYCWDOJ-UHFFFAOYSA-N	1	146.193	AE	2.125	2	Anodyne	low	AEAALO	CCc1[nH]c2ccccc2[nH+]1	 
CCc1nc2ccccc2[nH]1	ZINC000000055212	92/51/12/342925112	QHCCOYAKYCWDOJ-UHFFFAOYSA-N	1	146.193	AE	2.125	0	Anodyne	ref	AEAARO	CCc1nc2ccccc2[nH]1	 
Cc1cccc(C)c1NC(=O)CCl	ZINC000000073753	17/71/81/560177181	FPQQSNUTBWFFLB-UHFFFAOYSA-N	0	197.665	AE	2.481	0	Reactive	ref	AEGARN	Cc1cccc(C)c1NC(=O)CCl	in-vitro
CC(C)Oc1ccccc1C=O	ZINC000000078253	92/60/75/342926075	ZZJVNPRHHLLANO-UHFFFAOYSA-N	0	164.204	AE	2.286	0	Anodyne	ref	AEAARN	CC(C)Oc1ccccc1C=O	 
CCOc1ccc(C=O)cc1OCC	ZINC000000078257	26/94/90/351269490	SSTRYEXQYQGGAS-UHFFFAOYSA-N	0	194.23	AE	2.296	0	Anodyne	ref	AEAARN	CCOc1ccc(C=O)cc1OCC	 
CCOC(=O)c1c(N)sc(C)c1C	ZINC000000081475	36/75/99/167367599	JYSDXODDWAQWJR-UHFFFAOYSA-N	0	199.275	AE	2.124	0	Anodyne	ref	AEAARN	CCOC(=O)c1c(N)sc(C)c1C	 
COc1cc(C=O)ccc1OC(C)C	ZINC000000096536	23/23/81/168232381	BSVXIKDDVDCMIO-UHFFFAOYSA-N	0	194.23	AE	2.295	0	Anodyne	ref	AEAARN	COc1cc(C=O)ccc1OC(C)C	in-vitro biogenic
O=[N+]([O-])/C=C/c1ccc(F)cc1	ZINC000000101337	92/70/21/342927021	VRFSQVFSQAYHRU-AATRIKPKSA-N	0	167.139	AE	2.073	0	Bother	ref	AEBARN	O=[N+]([O-])/C=C/c1ccc(F)cc1	 
O=[N+]([O-])/C=C/c1cccc(F)c1	ZINC000000103600	99/16/40/170991640	NOXNBNYWEWJUTM-SNAWJCMRSA-N	0	167.139	AE	2.073	0	Bother	ref	AEBARN	O=[N+]([O-])/C=C/c1cccc(F)c1	 
CC(C)Oc1cccc(C=O)c1	ZINC000000106336	92/68/55/342926855	NOBKCEXLDDGYID-UHFFFAOYSA-N	0	164.204	AE	2.286	0	Anodyne	ref	AEAARN	CC(C)Oc1cccc(C=O)c1	 
Cc1c(C(=O)O)oc2ccccc12	ZINC000000107768	92/67/16/342926716	YMZTUCZCQMQFMK-UHFFFAOYSA-N	-1	176.171	AE	2.439	0	Anodyne	ref	AEAARM	Cc1c(C(=O)[O-])oc2ccccc12	 
O=C(O)c1ccc(Cl)s1	ZINC000000125451	35/78/59/169357859	QZLSBOVWPHXCLT-UHFFFAOYSA-N	-1	162.597	AE	2.1	0	Anodyne	ref	AEAARM	O=C([O-])c1ccc(Cl)s1	in-vitro
N#Cc1c(N)sc2c1CCCC2	ZINC000000126979	92/73/52/342927352	ADHVMGAFAKSNOM-UHFFFAOYSA-N	0	178.26	AE	2.081	0	Mild	ref	AEEARN	N#Cc1c(N)sc2c1CCCC2	 
O=C(O)c1ccccc1-n1cccc1	ZINC000000139049	92/77/22/342927722	GNWTWXOZRSBCOZ-UHFFFAOYSA-N	-1	187.198	AE	2.176	0	Anodyne	ref	AEAARM	O=C([O-])c1ccccc1-n1cccc1	in-vitro
CC(C)Oc1cccc(C(=O)O)c1	ZINC000000141647	56/15/05/166561505	QPVBLLQBUNVSJT-UHFFFAOYSA-N	-1	180.203	AE	2.172	0	Anodyne	ref	AEAARM	CC(C)Oc1cccc(C(=O)[O-])c1	 
C[C@H]1CCc2c(sc(N)c2C#N)C1	ZINC000000143543	62/63/86/168626386	VDMBPDMXBJUYMB-LURJTMIESA-N	0	192.287	AE	2.327	0	Mild	ref	AEEARN	C[C@H]1CCc2c(sc(N)c2C#N)C1	 
C[C@@H]1CCc2c(sc(N)c2C#N)C1	ZINC000000143545	44/45/83/168444583	VDMBPDMXBJUYMB-ZCFIWIBFSA-N	0	192.287	AE	2.327	0	Mild	ref	AEEARN	C[C@@H]1CCc2c(sc(N)c2C#N)C1	 
Nc1nnc(C2CCCCC2)s1	ZINC000000147182	31/13/88/169311388	BLBDGPFJLDEFFL-UHFFFAOYSA-N	0	183.28	AE	2.168	0	Anodyne	ref	AEAARN	Nc1nnc(C2CCCCC2)s1	 
CCOC(=O)c1cc(CC)sc1N	ZINC000000148105	36/89/04/167368904	WJZCEFNVWQJNQI-UHFFFAOYSA-N	0	199.275	AE	2.069	0	Anodyne	ref	AEAARN	CCOC(=O)c1cc(CC)sc1N	 
CCOc1ccccc1C(C)=O	ZINC000000150879	42/53/46/167425346	TVGMOUGXQYQZOL-UHFFFAOYSA-N	0	164.204	AE	2.288	0	Anodyne	ref	AEAARN	CCOc1ccccc1C(C)=O	 
Nc1cc2ccccc2cc1O	ZINC000000154764	28/86/94/169288694	ZHVPTERSBUMMHK-UHFFFAOYSA-N	0	159.188	AE	2.128	0	Anodyne	ref	AEAARN	Nc1cc2ccccc2cc1O	 
NCc1csc(-c2ccccc2)n1	ZINC000000158876	22/94/81/169229481	PMFCMLGAPHZRTE-UHFFFAOYSA-N	0	190.271	AE	2.269	3	Anodyne	high	AEAAHN	NCc1csc(-c2ccccc2)n1	 
NCc1csc(-c2ccccc2)n1	ZINC000000158876	22/94/79/169229479	PMFCMLGAPHZRTE-UHFFFAOYSA-N	1	190.271	AE	2.269	0	Anodyne	ref	AEAARO	[NH3+]Cc1csc(-c2ccccc2)n1	 
Nc1ccc(Oc2ccccc2)nc1	ZINC000000158925	29/23/56/169292356	DETKIRMPBJPJRQ-UHFFFAOYSA-N	0	186.214	AE	2.456	0	Clean	ref	AECARN	Nc1ccc(Oc2ccccc2)nc1	 
CCC(=O)c1cccs1	ZINC000000159604	92/97/18/342929718	MFPZQZZWAMAHOY-UHFFFAOYSA-N	0	140.207	AE	2.341	0	Anodyne	ref	AEAARN	CCC(=O)c1cccs1	in-man endogenous
O[C@@H](CCCl)c1ccccc1	ZINC000000160291	17/74/99/560177499	JZFUHAGLMZWKTF-VIFPVBQESA-N	0	170.639	AE	2.349	0	Reactive	ref	AEGARN	O[C@@H](CCCl)c1ccccc1	in-vitro
CC(C)Oc1ccc(C=O)cc1	ZINC000000162811	93/00/59/342930059	WDANSDASCKBVKH-UHFFFAOYSA-N	0	164.204	AE	2.286	0	Anodyne	ref	AEAARN	CC(C)Oc1ccc(C=O)cc1	 
Cc1[nH]c2ccccc2c1C=O	ZINC000000164956	93/05/20/342930520	CYZIVXOEJNAIBS-UHFFFAOYSA-N	0	159.188	AE	2.289	0	Anodyne	ref	AEAARN	Cc1[nH]c2ccccc2c1C=O	 
O=Cc1ccc(OC(F)F)cc1	ZINC000000167174	27/34/53/351273453	ZWCXOJYJJINQGU-UHFFFAOYSA-N	0	172.13	AE	2.1	0	Anodyne	ref	AEAARN	O=Cc1ccc(OC(F)F)cc1	 
CCn1c(-c2ccco2)n[nH]c1=S	ZINC000000244818	93/19/80/342931980	BYOPKDTXYORKAR-UHFFFAOYSA-N	-1	195.247	AE	2.221	1	Anodyne	mid	AEAAMM	CCn1c(-c2ccco2)n[n-]c1=S	 
CCn1c(-c2ccco2)n[nH]c1=S	ZINC000000244818	93/19/77/342931977	BYOPKDTXYORKAR-UHFFFAOYSA-N	0	195.247	AE	2.221	0	Anodyne	ref	AEAARN	CCn1c(-c2ccco2)n[nH]c1=S	 
O=C(O)c1csc2c1CCCC2	ZINC000000245897	36/04/79/169360479	TUZZQEHPGHKGRJ-UHFFFAOYSA-N	-1	182.244	AE	2.325	0	Anodyne	ref	AEAARM	O=C([O-])c1csc2c1CCCC2	 
O=[N+]([O-])/C=C/c1c[nH]c2ccccc12	ZINC000000254599	93/23/46/342932346	IPASVEYYTNTJTM-AATRIKPKSA-N	0	188.186	AE	2.415	0	Bother	ref	AEBARN	O=[N+]([O-])/C=C/c1c[nH]c2ccccc12	 
CCn1cc(C=O)c2ccccc21	ZINC000000257637	93/24/37/342932437	RUJYZLQXRALDKN-UHFFFAOYSA-N	0	173.215	AE	2.474	0	Anodyne	ref	AEAARN	CCn1cc(C=O)c2ccccc21	 
CC(C)COc1ccc(C(=O)O)cc1	ZINC000000280951	27/43/33/351274333	WTIHDAFXKHTFEG-UHFFFAOYSA-N	-1	194.23	AE	2.42	0	Anodyne	ref	AEAARM	CC(C)COc1ccc(C(=O)[O-])cc1	 
CCOc1ccc([C@@H](C)N)cc1	ZINC000000295638	27/44/92/351274492	LQISONQSSGPXMA-MRVPVSSYSA-N	1	165.236	AE	2.105	0	Anodyne	ref	AEAARO	CCOc1ccc([C@@H](C)[NH3+])cc1	 
CCOc1ccc([C@H](C)N)cc1	ZINC000000295641	27/45/46/351274546	LQISONQSSGPXMA-QMMMGPOBSA-N	1	165.236	AE	2.105	0	Anodyne	ref	AEAARO	CCOc1ccc([C@H](C)[NH3+])cc1	 
Cc1scc(C(=O)O)c1C	ZINC000000334221	01/58/90/169015890	METLBUIFJAMVMV-UHFFFAOYSA-N	-1	156.206	AE	2.063	0	Anodyne	ref	AEAARM	Cc1scc(C(=O)[O-])c1C	 
CCc1ccc(C(=O)O)s1	ZINC000000334224	73/24/22/167732422	ZVBNGIDVTPTFCL-UHFFFAOYSA-N	-1	156.206	AE	2.009	0	Anodyne	ref	AEAARM	CCc1ccc(C(=O)[O-])s1	 
CC(C)COc1cccc(C(=O)O)c1	ZINC000000372013	27/70/93/351277093	HNFBIJQQSNTRRR-UHFFFAOYSA-N	-1	194.23	AE	2.42	0	Anodyne	ref	AEAARM	CC(C)COc1cccc(C(=O)[O-])c1	 
Cc1ccc(O[C@@H](C)C(=O)O)cc1C	ZINC000000372215	93/52/36/342935236	UIOGKMYERRPYJZ-VIFPVBQESA-N	-1	194.23	AE	2.155	0	Anodyne	ref	AEAARM	Cc1ccc(O[C@@H](C)C(=O)[O-])cc1C	 
Cc1ccc(O[C@H](C)C(=O)O)cc1C	ZINC000000372216	93/51/63/342935163	UIOGKMYERRPYJZ-SECBINFHSA-N	-1	194.23	AE	2.155	0	Anodyne	ref	AEAARM	Cc1ccc(O[C@H](C)C(=O)[O-])cc1C	 
Nc1ccc(CN2CCCCC2)cc1	ZINC000000378534	29/12/02/169291202	DRYFDUUAYSVNSN-UHFFFAOYSA-N	1	190.29	AE	2.255	0	Clean	ref	AECARO	Nc1ccc(C[NH+]2CCCCC2)cc1	 
CC1CCC(CC(=O)O)CC1	ZINC000000389560	93/59/99/342935999	OQZGYMRYZAKXAF-UHFFFAOYSA-N	-1	156.225	AE	2.287	0	Anodyne	ref	AEAARM	CC1CCC(CC(=O)[O-])CC1	 
CC(C)Oc1ccc(C(=O)O)cc1	ZINC000000389762	93/63/93/342936393	ZVERWTXKKWSSHH-UHFFFAOYSA-N	-1	180.203	AE	2.172	0	Anodyne	ref	AEAARM	CC(C)Oc1ccc(C(=O)[O-])cc1	 
COc1ccc2[nH]c(=S)[nH]c2c1	ZINC000000389869	99/49/38/170994938	KOFBRZWVWJCLGM-UHFFFAOYSA-N	0	180.232	AE	2.234	0	Anodyne	ref	AEAARN	COc1ccc2[nH]c(=S)[nH]c2c1	in-vitro
Cc1[nH]c2c(C(=O)O)cccc2c1C	ZINC000000398970	93/77/74/342937774	ITMIUTVFOTYMOJ-UHFFFAOYSA-N	-1	189.214	AE	2.483	0	Anodyne	ref	AEAARM	Cc1[nH]c2c(C(=O)[O-])cccc2c1C	 
CCOc1ccc(C=O)c(OCC)c1	ZINC000000478342	28/14/15/351281415	JGWAODQUCDFPGI-UHFFFAOYSA-N	0	194.23	AE	2.296	0	Anodyne	ref	AEAARN	CCOc1ccc(C=O)c(OCC)c1	 
CCC(=O)Nc1cccc(C(C)=O)c1	ZINC000000483018	93/99/72/342939972	WPKYWZVHSQINPX-UHFFFAOYSA-N	0	191.23	AE	2.238	0	Anodyne	ref	AEAARN	CCC(=O)Nc1cccc(C(C)=O)c1	 
CCC(=O)Nc1ccc(C(C)=O)cc1	ZINC000000493224	77/14/93/166771493	MZWPYWAEYRHZBJ-UHFFFAOYSA-N	0	191.23	AE	2.238	0	Anodyne	ref	AEAARN	CCC(=O)Nc1ccc(C(C)=O)cc1	 
CC[C@H](Oc1ccccc1C)C(=O)O	ZINC000000556199	94/08/25/342940825	IHCFDXGPIABNTN-VIFPVBQESA-N	-1	194.23	AE	2.237	0	Anodyne	ref	AEAARM	CC[C@H](Oc1ccccc1C)C(=O)[O-]	 
CC[C@@H](Oc1ccccc1C)C(=O)O	ZINC000000556200	54/13/53/167541353	IHCFDXGPIABNTN-SECBINFHSA-N	-1	194.23	AE	2.237	0	Anodyne	ref	AEAARM	CC[C@@H](Oc1ccccc1C)C(=O)[O-]	 
Clc1ncnc2ccccc12	ZINC000000809020	02/71/92/169027192	GVRRXASZZAKBMN-UHFFFAOYSA-N	0	164.595	AE	2.283	0	Anodyne	ref	AEAARN	Clc1ncnc2ccccc12	 
CC(C)c1ccccc1OCC(=O)O	ZINC000001104505	94/37/06/342943706	HGGPCQVBKJMWHG-UHFFFAOYSA-N	-1	194.23	AE	2.273	0	Anodyne	ref	AEAARM	CC(C)c1ccccc1OCC(=O)[O-]	 
COc1ccc2c(c1)CCCN2	ZINC000001235051	26/18/63/168261863	FRXSZNDVFUDTIR-UHFFFAOYSA-N	1	163.22	AE	2.053	2	Anodyne	low	AEAALO	COc1ccc2c(c1)CCC[NH2+]2	 
COc1ccc2c(c1)CCCN2	ZINC000001235051	26/18/62/168261862	FRXSZNDVFUDTIR-UHFFFAOYSA-N	0	163.22	AE	2.053	0	Anodyne	ref	AEAARN	COc1ccc2c(c1)CCCN2	 
CCc1ccc(O[C@@H](C)C(=O)O)cc1	ZINC000001458774	94/56/71/342945671	OSZYRPFCAFFXIF-QMMMGPOBSA-N	-1	194.23	AE	2.101	0	Anodyne	ref	AEAARM	CCc1ccc(O[C@@H](C)C(=O)[O-])cc1	 
CCc1ccc(O[C@H](C)C(=O)O)cc1	ZINC000001458775	94/58/04/342945804	OSZYRPFCAFFXIF-MRVPVSSYSA-N	-1	194.23	AE	2.101	0	Anodyne	ref	AEAARM	CCc1ccc(O[C@H](C)C(=O)[O-])cc1	 
Cc1ccc(OC(C)(C)C(=O)O)cc1	ZINC000001459158	94/56/64/342945664	OQUCRQLGCRZSBH-UHFFFAOYSA-N	-1	194.23	AE	2.237	0	Anodyne	ref	AEAARM	Cc1ccc(OC(C)(C)C(=O)[O-])cc1	 
Cc1ccc(O[C@@H](C)C(=O)O)c(C)c1	ZINC000001459204	94/56/90/342945690	IFJVJZSRAQXZEY-VIFPVBQESA-N	-1	194.23	AE	2.155	0	Anodyne	ref	AEAARM	Cc1ccc(O[C@@H](C)C(=O)[O-])c(C)c1	 
Cc1ccc(O[C@H](C)C(=O)O)c(C)c1	ZINC000001459205	94/57/05/342945705	IFJVJZSRAQXZEY-SECBINFHSA-N	-1	194.23	AE	2.155	0	Anodyne	ref	AEAARM	Cc1ccc(O[C@H](C)C(=O)[O-])c(C)c1	 
Cc1cccc(OC(C)(C)C(=O)O)c1	ZINC000001459377	94/57/93/342945793	SURFMLIOSFSAPK-UHFFFAOYSA-N	-1	194.23	AE	2.237	0	Anodyne	ref	AEAARM	Cc1cccc(OC(C)(C)C(=O)[O-])c1	 
Cc1cccc(O[C@@H](C)C(=O)O)c1C	ZINC000001459378	94/58/22/342945822	OMPCOTDSWVBJCH-VIFPVBQESA-N	-1	194.23	AE	2.155	0	Anodyne	ref	AEAARM	Cc1cccc(O[C@@H](C)C(=O)[O-])c1C	 
Cc1cccc(O[C@H](C)C(=O)O)c1C	ZINC000001459379	87/12/40/168871240	OMPCOTDSWVBJCH-SECBINFHSA-N	-1	194.23	AE	2.155	0	Anodyne	ref	AEAARM	Cc1cccc(O[C@H](C)C(=O)[O-])c1C	 
Cc1ccccc1OC(C)(C)C(=O)O	ZINC000001460010	94/57/41/342945741	FTYMJPNQPCWPAL-UHFFFAOYSA-N	-1	194.23	AE	2.237	0	Anodyne	ref	AEAARM	Cc1ccccc1OC(C)(C)C(=O)[O-]	 
C=CCOc1cccc(C(C)=O)c1	ZINC000001556232	19/72/61/166197261	ZRQBATDEVGIBAS-UHFFFAOYSA-N	0	176.215	AE	2.454	0	Mild	ref	AEEARN	C=CCOc1cccc(C(C)=O)c1	 
c1ccc(C2CCNCC2)cc1	ZINC000001575604	28/84/08/351288408	UTBULQCHEUWJNV-UHFFFAOYSA-N	1	161.248	AE	2.154	0	Anodyne	ref	AEAARO	c1ccc(C2CC[NH2+]CC2)cc1	in-vitro
C=CCOc1ccccc1C=O	ZINC000001599402	19/74/30/166197430	BXCJDECTRRMSCV-UHFFFAOYSA-N	0	162.188	AE	2.064	0	Mild	ref	AEEARN	C=CCOc1ccccc1C=O	 
CC[C@H](N)c1ccccc1	ZINC000001665102	95/52/30/342955230	AQFLVLHRZFLDDV-VIFPVBQESA-N	1	135.21	AE	2.096	0	Anodyne	ref	AEAARO	CC[C@H]([NH3+])c1ccccc1	 
C[C@H](N)c1ccc(Cl)cc1	ZINC000001675290	55/50/67/168555067	PINPOEWMCLFRRB-LURJTMIESA-N	1	155.628	AE	2.36	0	Anodyne	ref	AEAARO	C[C@H]([NH3+])c1ccc(Cl)cc1	 
C=CCOc1ccc(C=O)cc1	ZINC000001676478	19/74/47/166197447	TYNJQOJWNMZQFZ-UHFFFAOYSA-N	0	162.188	AE	2.064	0	Mild	ref	AEEARN	C=CCOc1ccc(C=O)cc1	 
C=CCOc1ccc(C(C)=O)cc1	ZINC000001677319	19/71/61/166197161	BLAHXQHYMANQBP-UHFFFAOYSA-N	0	176.215	AE	2.454	0	Mild	ref	AEEARN	C=CCOc1ccc(C(C)=O)cc1	 
CCCOc1ccccc1C=O	ZINC000001695172	02/10/19/167021019	CDUPASLURGOXGD-UHFFFAOYSA-N	0	164.204	AE	2.288	0	Anodyne	ref	AEAARN	CCCOc1ccccc1C=O	 
C[C@H](N)c1ccccc1Cl	ZINC000001697891	55/64/73/168556473	RJPLGQTZHLRZGX-LURJTMIESA-N	1	155.628	AE	2.36	0	Anodyne	ref	AEAARO	C[C@H]([NH3+])c1ccccc1Cl	 
Nc1cc(C(F)(F)F)ccc1F	ZINC000001706172	28/55/71/169285571	DRKWGMXFFCPZLW-UHFFFAOYSA-N	0	179.116	AE	2.427	0	Anodyne	ref	AEAARN	Nc1cc(C(F)(F)F)ccc1F	 
CCCOc1ccc(C(=O)O)cc1	ZINC000001747127	01/84/19/167018419	GDFUWFOCYZZGQU-UHFFFAOYSA-N	-1	180.203	AE	2.174	0	Anodyne	ref	AEAARM	CCCOc1ccc(C(=O)[O-])cc1	 
CCCOc1ccc(C=O)cc1OC	ZINC000001793726	02/01/63/167020163	YUWQIFGCZPFOAL-UHFFFAOYSA-N	0	194.23	AE	2.296	0	Anodyne	ref	AEAARN	CCCOc1ccc(C=O)cc1OC	in-vitro biogenic
CC[C@H](Oc1ccc(C)cc1)C(=O)O	ZINC000001926752	96/59/07/342965907	NDJKTFBUSVQYJD-JTQLQIEISA-N	-1	194.23	AE	2.237	0	Anodyne	ref	AEAARM	CC[C@H](Oc1ccc(C)cc1)C(=O)[O-]	 
CC[C@@H](Oc1ccc(C)cc1)C(=O)O	ZINC000001926753	96/58/99/342965899	NDJKTFBUSVQYJD-SNVBAGLBSA-N	-1	194.23	AE	2.237	0	Anodyne	ref	AEAARM	CC[C@@H](Oc1ccc(C)cc1)C(=O)[O-]	 
CC[C@@H](N)c1ccccc1	ZINC000002014818	52/82/30/167528230	AQFLVLHRZFLDDV-SECBINFHSA-N	1	135.21	AE	2.096	0	Anodyne	ref	AEAARO	CC[C@@H]([NH3+])c1ccccc1	in-vitro
C[C@@H](N)c1ccc(Cl)cc1	ZINC000002047916	37/10/91/168371091	PINPOEWMCLFRRB-ZCFIWIBFSA-N	1	155.628	AE	2.36	0	Anodyne	ref	AEAARO	C[C@@H]([NH3+])c1ccc(Cl)cc1	 
CCCOc1cccc(C(=O)O)c1	ZINC000002109179	01/93/19/167019319	ZMXUPQVAIFGMPS-UHFFFAOYSA-N	-1	180.203	AE	2.174	0	Anodyne	ref	AEAARM	CCCOc1cccc(C(=O)[O-])c1	 
COc1ccc(Cl)cc1C=O	ZINC000002166213	25/32/14/168253214	HXTWDGGMXZXOIV-UHFFFAOYSA-N	0	170.595	AE	2.161	0	Anodyne	ref	AEAARN	COc1ccc(Cl)cc1C=O	 
Cc1ccc([C@@H](C)N)c(C)c1	ZINC000002243824	97/12/86/342971286	LFJDRMQPKZCUNL-SECBINFHSA-N	1	149.237	AE	2.323	0	Anodyne	ref	AEAARO	Cc1ccc([C@@H](C)[NH3+])c(C)c1	 
CCOc1cccc(C(C)=O)c1	ZINC000002387647	42/19/07/167421907	RUWWFEHTGUJEDT-UHFFFAOYSA-N	0	164.204	AE	2.288	0	Anodyne	ref	AEAARN	CCOc1cccc(C(C)=O)c1	 
COC(=O)c1cc(C(C)C)sc1N	ZINC000002387649	12/73/36/168127336	GNDXRTHPMSTCQP-UHFFFAOYSA-N	0	199.275	AE	2.24	0	Anodyne	ref	AEAARN	COC(=O)c1cc(C(C)C)sc1N	 
CCCc1cc(C(=O)OC)c(N)s1	ZINC000002387668	09/99/41/167099941	MPMLOEOVNAKTOS-UHFFFAOYSA-N	0	199.275	AE	2.069	0	Anodyne	ref	AEAARN	CCCc1cc(C(=O)OC)c(N)s1	 
CC[C@@H](N)c1ccc(C)cc1	ZINC000002391966	97/21/64/342972164	FWTZOQCAVLMPJE-SNVBAGLBSA-N	1	149.237	AE	2.405	0	Anodyne	ref	AEAARO	CC[C@@H]([NH3+])c1ccc(C)cc1	 
COc1ccc2oc(=S)[nH]c2c1	ZINC000002505851	26/71/08/168267108	QGTUVLRFJOUWBN-UHFFFAOYSA-N	-1	181.216	AE	2.499	0	Anodyne	ref	AEAARM	COc1ccc2oc(=S)[n-]c2c1	 
Cc1n[nH]c(=S)n1-c1ccccc1	ZINC000002506908	97/29/19/342972919	VITIJXJNRKRDKF-UHFFFAOYSA-N	0	191.259	AE	2.238	1	Anodyne	mid	AEAAMN	Cc1n[nH]c(=S)n1-c1ccccc1	 
Cc1n[nH]c(=S)n1-c1ccccc1	ZINC000002506908	97/29/14/342972914	VITIJXJNRKRDKF-UHFFFAOYSA-N	-1	191.259	AE	2.238	0	Anodyne	ref	AEAARM	Cc1n[n-]c(=S)n1-c1ccccc1	 
Cc1ccc([C@@H](C)N)cc1	ZINC000002516980	83/42/47/168834247	UZDDXUMOXKDXNE-MRVPVSSYSA-N	1	135.21	AE	2.015	0	Anodyne	ref	AEAARO	Cc1ccc([C@@H](C)[NH3+])cc1	 
Cc1ccc([C@H](C)N)cc1	ZINC000002516987	97/37/93/342973793	UZDDXUMOXKDXNE-QMMMGPOBSA-N	1	135.21	AE	2.015	0	Anodyne	ref	AEAARO	Cc1ccc([C@H](C)[NH3+])cc1	 
CC(=O)[C@H]1C[C@H]2CC[C@@H]1C2	ZINC000002522203	31/17/15/166311715	NDZIFIKZHLSCFR-DJLDLDEBSA-N	0	138.21	AE	2.012	0	Anodyne	ref	AEAARN	CC(=O)[C@H]1C[C@H]2CC[C@@H]1C2	 
COc1cc(C#N)ccc1OC(F)F	ZINC000002536986	22/74/77/168227477	QXTCZOITVDAGKZ-UHFFFAOYSA-N	0	199.156	AE	2.168	0	Mild	ref	AEEARN	COc1cc(C#N)ccc1OC(F)F	 
CCOCc1cc(C=O)ccc1OC	ZINC000002549373	39/91/63/167399163	QNWBFWJFRDIZEI-UHFFFAOYSA-N	0	194.23	AE	2.044	0	Anodyne	ref	AEAARN	CCOCc1cc(C=O)ccc1OC	 
CCCOc1c(C=O)cccc1OC	ZINC000002558316	01/61/96/167016196	FULGZQOQNLDCDB-UHFFFAOYSA-N	0	194.23	AE	2.296	0	Anodyne	ref	AEAARN	CCCOc1c(C=O)cccc1OC	 
CCc1c(C(=O)O)csc1C	ZINC000002559442	97/65/72/342976572	PLGXACUSGWZNKZ-UHFFFAOYSA-N	-1	170.233	AE	2.317	0	Anodyne	ref	AEAARM	CCc1c(C(=O)[O-])csc1C