CC1=CC(=O)c2ccccc2C1=O	ZINC000000001677	92/36/18/342923618	MJVAVZPDRWSRRC-UHFFFAOYSA-N	0	172.183	AE	2.012	0	Mild	ref	AEEARN	CC1=CC(=O)c2ccccc2C1=O	world endogenous
Nc1cc(Nc2ccccc2)ccn1	ZINC000000039067	28/75/23/169287523	PJNARASVPLLKLH-UHFFFAOYSA-N	1	185.23	AE	2.407	0	Anodyne	ref	AEAARO	Nc1cc(Nc2ccccc2)cc[nH+]1	 
Cc1cc(Br)ccc1O	ZINC000000054688	92/48/89/342924889	IWJGMJHAIUBWKT-UHFFFAOYSA-N	0	187.036	AE	2.463	0	Anodyne	ref	AEAARN	Cc1cc(Br)ccc1O	 
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
Oc1ccc2cc(O)ccc2c1	ZINC000000074155	26/95/81/351269581	MNZMMCVIXORAQL-UHFFFAOYSA-N	0	160.172	AE	2.251	0	Anodyne	ref	AEAARN	Oc1ccc2cc(O)ccc2c1	in-vitro biogenic
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	 
O=C(O)/C=C/c1ccccc1Cl	ZINC000000080793	33/42/87/169334287	KJRRTHHNKJBVBO-AATRIKPKSA-N	-1	182.606	AE	2.438	0	Anodyne	ref	AEAARM	O=C([O-])/C=C/c1ccccc1Cl	 
O=C(O)/C=C/c1ccc(Cl)cc1	ZINC000000080865	33/43/37/169334337	GXLIFJYFGMHYDY-ZZXKWVIFSA-N	-1	182.606	AE	2.438	0	Anodyne	ref	AEAARM	O=C([O-])/C=C/c1ccc(Cl)cc1	in-vitro biogenic
CCOc1ccc(/C=C/C(=O)O)cc1	ZINC000000087946	26/92/31/351269231	DZLOUWYGNATKKZ-VMPITWQZSA-N	-1	192.214	AE	2.183	0	Anodyne	ref	AEAARM	CCOc1ccc(/C=C/C(=O)[O-])cc1	 
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	 
CCCC(=O)Nc1ccc(N)cc1	ZINC000000123129	92/71/63/342927163	LFXCELCZRVHGIJ-UHFFFAOYSA-N	0	178.235	AE	2.007	0	Clean	ref	AECARN	CCCC(=O)Nc1ccc(N)cc1	 
CCCC(=O)Nc1cccc(N)c1	ZINC000000123132	83/23/31/166832331	DRXFARCOYOPZDW-UHFFFAOYSA-N	0	178.235	AE	2.007	0	Anodyne	ref	AEAARN	CCCC(=O)Nc1cccc(N)c1	 
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	 
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	 
Cc1ccc(/C=C/C(=O)O)cc1	ZINC000000145556	92/81/53/342928153	RURHILYUWQEGOS-VOTSOKGWSA-N	-1	162.188	AE	2.093	0	Anodyne	ref	AEAARM	Cc1ccc(/C=C/C(=O)[O-])cc1	 
NCc1ccc(Cl)cc1Cl	ZINC000000157574	22/21/43/169222143	SJUKJZSTBBSGHF-UHFFFAOYSA-N	0	176.046	AE	2.452	3	Anodyne	high	AEAAHN	NCc1ccc(Cl)cc1Cl	 
NCc1ccc(Cl)cc1Cl	ZINC000000157574	22/21/41/169222141	SJUKJZSTBBSGHF-UHFFFAOYSA-N	1	176.046	AE	2.452	0	Anodyne	ref	AEAARO	[NH3+]Cc1ccc(Cl)cc1Cl	 
Cc1ccc(O)c(Br)c1	ZINC000000164920	93/03/64/342930364	MTIDYGLTAOZOGU-UHFFFAOYSA-N	-1	187.036	AE	2.463	3	Anodyne	high	AEAAHM	Cc1ccc([O-])c(Br)c1	 
Cc1ccc(O)c(Br)c1	ZINC000000164920	93/03/61/342930361	MTIDYGLTAOZOGU-UHFFFAOYSA-N	0	187.036	AE	2.463	0	Anodyne	ref	AEAARN	Cc1ccc(O)c(Br)c1	 
CC(C)COC(=O)c1ccc(O)cc1	ZINC000000225900	27/43/99/351274399	XPJVKCRENWUEJH-UHFFFAOYSA-N	-1	194.23	AE	2.205	3	Anodyne	high	AEAAHM	CC(C)COC(=O)c1ccc([O-])cc1	in-vitro
CC(C)COC(=O)c1ccc(O)cc1	ZINC000000225900	27/43/92/351274392	XPJVKCRENWUEJH-UHFFFAOYSA-N	0	194.23	AE	2.205	0	Anodyne	ref	AEAARN	CC(C)COC(=O)c1ccc(O)cc1	in-vitro
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	 
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	 
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	 
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-]	 
CC(C)CC(=O)Nc1ccc(N)cc1	ZINC000000569967	28/16/97/351281697	ACHJACAEYOYEBF-UHFFFAOYSA-N	0	192.262	AE	2.253	0	Clean	ref	AECARN	CC(C)CC(=O)Nc1ccc(N)cc1	 
Nc1ccc2ccccc2c1	ZINC000000968125	29/48/80/169294880	JBIJLHTVPXGSAM-UHFFFAOYSA-N	0	143.189	AE	2.422	0	Anodyne	ref	AEAARN	Nc1ccc2ccccc2c1	in-man biogenic
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-]	 
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	 
CCOCc1ccccc1	ZINC000001586382	41/12/79/574411279	AXPZDYVDTMMLNB-UHFFFAOYSA-N	0	136.194	AE	2.223	0	Anodyne	ref	AEAARN	CCOCc1ccccc1	in-man endogenous
C=CCOc1ccccc1C=O	ZINC000001599402	19/74/30/166197430	BXCJDECTRRMSCV-UHFFFAOYSA-N	0	162.188	AE	2.064	0	Mild	ref	AEEARN	C=CCOc1ccccc1C=O	 
N#CCC1CCCC1	ZINC000001627371	95/30/80/342953080	BKMDIBDWHXWKSV-UHFFFAOYSA-N	0	109.172	AE	2.09	0	Mild	ref	AEEARN	N#CCC1CCCC1	 
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	 
CNc1c(C)cccc1C	ZINC000001675775	06/37/04/168063704	NLGKRVNANIZGNI-UHFFFAOYSA-N	0	135.21	AE	2.345	0	Anodyne	ref	AEAARN	CNc1c(C)cccc1C	 
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	 
c1ccc2c(c1)CCC2	ZINC000001680824	29/36/35/351293635	PQNFLJBBNBOBRQ-UHFFFAOYSA-N	0	118.179	AE	2.175	0	Anodyne	ref	AEAARN	c1ccc2c(c1)CCC2	in-man biogenic
CCCCOc1ccccc1N	ZINC000001685534	95/82/52/342958252	IRTONKUCLPTRNS-UHFFFAOYSA-N	0	165.236	AE	2.448	0	Anodyne	ref	AEAARN	CCCCOc1ccccc1N	 
CCCCOc1ccc(N)cc1	ZINC000001686943	95/83/74/342958374	UBRIHZOFEJHMIT-UHFFFAOYSA-N	0	165.236	AE	2.448	0	Clean	ref	AECARN	CCCCOc1ccc(N)cc1	 
CCCOc1ccccc1C=O	ZINC000001695172	02/10/19/167021019	CDUPASLURGOXGD-UHFFFAOYSA-N	0	164.204	AE	2.288	0	Anodyne	ref	AEAARN	CCCOc1ccccc1C=O	 
CC/C=C/CC	ZINC000001699509	29/61/22/351296122	ZQDPJFUHLCOCRG-AATRIKPKSA-N	0	84.162	AE	2.363	0	Anodyne	ref	AEAARN	CC/C=C/CC	 
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	 
CCCOc1cccc(N)c1	ZINC000001749509	02/23/33/167022333	VPAHCDXFLUSULH-UHFFFAOYSA-N	0	151.209	AE	2.058	0	Anodyne	ref	AEAARN	CCCOc1cccc(N)c1	 
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
CCCNCc1ccccc1	ZINC000001852617	96/51/10/342965110	OUMBFMLKPJUWDQ-UHFFFAOYSA-N	1	149.237	AE	2.186	0	Anodyne	ref	AEAARO	CCC[NH2+]Cc1ccccc1	 
Cc1ccc(C)c(O[C@@H](C)C(=O)O)c1	ZINC000001926685	96/59/04/342965904	MJJBTCMCULRVQR-VIFPVBQESA-N	-1	194.23	AE	2.155	0	Anodyne	ref	AEAARM	Cc1ccc(C)c(O[C@@H](C)C(=O)[O-])c1	 
Cc1ccc(C)c(O[C@H](C)C(=O)O)c1	ZINC000001926686	96/58/23/342965823	MJJBTCMCULRVQR-SECBINFHSA-N	-1	194.23	AE	2.155	0	Anodyne	ref	AEAARM	Cc1ccc(C)c(O[C@H](C)C(=O)[O-])c1	 
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)Oc1ccccc1N	ZINC000002011680	96/65/51/342966551	PZOZYLSYQJYXBI-UHFFFAOYSA-N	0	151.209	AE	2.056	0	Anodyne	ref	AEAARN	CC(C)Oc1ccccc1N	 
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
O=C(O)CCCCCBr	ZINC000002038000	18/60/39/560186039	NVRVNSHHLPQGCU-UHFFFAOYSA-N	-1	195.056	AE	2.026	0	Reactive	ref	AEGARM	O=C([O-])CCCCCBr	in-vitro
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	 
CC(C)Oc1cccc(N)c1	ZINC000002510237	97/34/37/342973437	QMGBIPKOKCSUCL-UHFFFAOYSA-N	0	151.209	AE	2.056	0	Anodyne	ref	AEAARN	CC(C)Oc1cccc(N)c1	 
CC(C)Oc1ccc(N)cc1	ZINC000002522760	97/43/94/342974394	MLNFMFAMNBGAQT-UHFFFAOYSA-N	0	151.209	AE	2.056	0	Clean	ref	AECARN	CC(C)Oc1ccc(N)cc1	 
CC[C@@H](Oc1cccc(C)c1)C(=O)O	ZINC000002526145	54/41/43/167544143	IGGVSFFAZIAGTA-SNVBAGLBSA-N	-1	194.23	AE	2.237	0	Anodyne	ref	AEAARM	CC[C@@H](Oc1cccc(C)c1)C(=O)[O-]	 
CC(C)c1ccc(OCC(=O)O)cc1	ZINC000002560490	97/68/44/342976844	FPVCSFOUVDLTDG-UHFFFAOYSA-N	-1	194.23	AE	2.273	0	Anodyne	ref	AEAARM	CC(C)c1ccc(OCC(=O)[O-])cc1	 
CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1N	ZINC000002572332	97/79/95/342977995	CBYXIIFIKSBHEY-QXFUBDJGSA-N	1	153.269	AE	2.16	0	Anodyne	ref	AEAARO	CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1[NH3+]	 
CCCOc1ccccc1C(=O)O	ZINC000002572613	02/10/73/167021073	OXOWWPXTTOCKKU-UHFFFAOYSA-N	-1	180.203	AE	2.174	0	Anodyne	ref	AEAARM	CCCOc1ccccc1C(=O)[O-]	in-vitro
C=CCOc1ccc(C=O)cc1OC	ZINC000002573375	19/68/68/166196868	DGWCHURQYFMBFC-UHFFFAOYSA-N	0	192.214	AE	2.072	0	Mild	ref	AEEARN	C=CCOc1ccc(C=O)cc1OC	 
COc1c(C)cc(C=O)cc1C	ZINC000002581169	22/35/79/168223579	SNIGEINPLSDHBQ-UHFFFAOYSA-N	0	164.204	AE	2.125	0	Anodyne	ref	AEAARN	COc1c(C)cc(C=O)cc1C	 
CCCOc1ccc(N)cc1	ZINC000002584494	01/99/63/167019963	DWOIGSLSPPLRKO-UHFFFAOYSA-N	0	151.209	AE	2.058	0	Clean	ref	AECARN	CCCOc1ccc(N)cc1	 
Cc1ccc(NCCCCO)cc1	ZINC000002597418	97/91/75/342979175	VYUAIDZWNMPHKU-UHFFFAOYSA-N	0	179.263	AE	2.179	0	Anodyne	ref	AEAARN	Cc1ccc(NCCCCO)cc1	 
Cc1ccc(NCCCCO)c(C)c1	ZINC000002597419	82/57/05/168825705	XQODVGIOOBVIOU-UHFFFAOYSA-N	0	193.29	AE	2.488	0	Anodyne	ref	AEAARN	Cc1ccc(NCCCCO)c(C)c1	 
OCCCCNc1ccc(F)cc1	ZINC000002597420	31/40/04/351314004	CLRMKAVGSIJKOJ-UHFFFAOYSA-N	0	183.226	AE	2.01	0	Anodyne	ref	AEAARN	OCCCCNc1ccc(F)cc1	 
CC(C)NC(=O)CCc1ccccc1	ZINC000003165313	98/13/99/342981399	ZYRLCOGVOHEKBK-UHFFFAOYSA-N	0	191.274	AE	2.144	0	Anodyne	ref	AEAARN	CC(C)NC(=O)CCc1ccccc1	 
CCC[C@H](N)c1ccccc1	ZINC000003333288	08/09/16/167080916	XHOXKVFLASIOJD-JTQLQIEISA-N	1	149.237	AE	2.487	0	Anodyne	ref	AEAARO	CCC[C@H]([NH3+])c1ccccc1	 
CCC[C@@H](N)c1ccccc1	ZINC000003333291	04/89/24/167048924	XHOXKVFLASIOJD-SNVBAGLBSA-N	1	149.237	AE	2.487	0	Anodyne	ref	AEAARO	CCC[C@@H]([NH3+])c1ccccc1	 
CCOc1ccccc1[C@@H](C)N	ZINC000003705302	31/94/08/351319408	LMUHGWYMCFSWBA-MRVPVSSYSA-N	0	165.236	AE	2.105	3	Anodyne	high	AEAAHN	CCOc1ccccc1[C@@H](C)N	 
CCOc1ccccc1[C@@H](C)N	ZINC000003705302	31/94/06/351319406	LMUHGWYMCFSWBA-MRVPVSSYSA-N	1	165.236	AE	2.105	0	Anodyne	ref	AEAARO	CCOc1ccccc1[C@@H](C)[NH3+]	 
CCOc1ccccc1[C@H](C)N	ZINC000003705303	31/91/78/351319178	LMUHGWYMCFSWBA-QMMMGPOBSA-N	0	165.236	AE	2.105	3	Anodyne	high	AEAAHN	CCOc1ccccc1[C@H](C)N	 
CCOc1ccccc1[C@H](C)N	ZINC000003705303	31/91/72/351319172	LMUHGWYMCFSWBA-QMMMGPOBSA-N	1	165.236	AE	2.105	0	Anodyne	ref	AEAARO	CCOc1ccccc1[C@H](C)[NH3+]	 
N[C@H]1CCCc2ccccc21	ZINC000003861295	27/39/00/169273900	JRZGPXSSNPTNMA-JTQLQIEISA-N	1	147.221	AE	2.023	0	Anodyne	ref	AEAARO	[NH3+][C@H]1CCCc2ccccc21	in-vivo
N[C@@H]1CCCc2ccccc21	ZINC000003861296	25/34/12/169253412	JRZGPXSSNPTNMA-SNVBAGLBSA-N	1	147.221	AE	2.023	0	Anodyne	ref	AEAARO	[NH3+][C@@H]1CCCc2ccccc21	in-vitro
C=CC[C@H]1C=CC[C@H](CC=C)N1	ZINC000004027134	20/59/78/166205978	GAYQJEALDMVJON-QWRGUYRKSA-N	1	163.264	AE	2.425	0	Mild	ref	AEEARO	C=CC[C@H]1C=CC[C@H](CC=C)[NH2+]1	 
C[C@@H]1CC2(CCCN2)C[C@H]1C	ZINC000004124810	01/12/59/171011259	JQXLMQXLNVVUDS-RKDXNWHRSA-N	1	153.269	AE	2.175	0	Anodyne	ref	AEAARO	C[C@@H]1CC2(CCC[NH2+]2)C[C@H]1C	 
C[C@H]1CC2(CCCN2)C[C@H]1C	ZINC000004200223	01/10/80/171011080	JQXLMQXLNVVUDS-ULKQDVFKSA-N	1	153.269	AE	2.175	0	Anodyne	ref	AEAARO	C[C@H]1CC2(CCC[NH2+]2)C[C@H]1C	 
C[C@H]1CC2(CCCN2)C[C@@H]1C	ZINC000004200224	01/13/00/171011300	JQXLMQXLNVVUDS-IUCAKERBSA-N	1	153.269	AE	2.175	0	Anodyne	ref	AEAARO	C[C@H]1CC2(CCC[NH2+]2)C[C@@H]1C	 
CC1(C)[C@@H](N)[C@@]2(C)CC[C@@H]1C2	ZINC000004288810	99/01/32/342990132	CBYXIIFIKSBHEY-MRTMQBJTSA-N	1	153.269	AE	2.16	0	Anodyne	ref	AEAARO	CC1(C)[C@@H]([NH3+])[C@@]2(C)CC[C@@H]1C2	 
OCCCCNCCC1=CCCCC1	ZINC000004290973	32/76/14/351327614	ZUCMDRAQTBQWBN-UHFFFAOYSA-N	1	197.322	AE	2.239	0	Anodyne	ref	AEAARO	OCCCC[NH2+]CCC1=CCCCC1	 
CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1N	ZINC000004293783	99/00/43/342990043	CBYXIIFIKSBHEY-OYNCUSHFSA-N	1	153.269	AE	2.16	0	Anodyne	ref	AEAARO	CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1[NH3+]	 
CCNc1ccc([N+](=O)[O-])cc1	ZINC000004301178	31/00/05/167310005	XBNNLAWQCMDISJ-UHFFFAOYSA-N	0	166.18	AE	2.027	0	Bother	ref	AEBARN	CCNc1ccc([N+](=O)[O-])cc1	 
CNCc1cc(-c2ccccc2)on1	ZINC000004344053	01/71/04/168017104	UOTLCNYQFPJOPY-UHFFFAOYSA-N	0	188.23	AE	2.061	1	Anodyne	mid	AEAAMN	CNCc1cc(-c2ccccc2)on1	 
CNCc1cc(-c2ccccc2)on1	ZINC000004344053	01/71/02/168017102	UOTLCNYQFPJOPY-UHFFFAOYSA-N	1	188.23	AE	2.061	0	Anodyne	ref	AEAARO	C[NH2+]Cc1cc(-c2ccccc2)on1	 
C1CCC(NCC2CC2)CC1	ZINC000004401477	08/82/01/166088201	RMFCJWJCNWJMMD-UHFFFAOYSA-N	1	153.269	AE	2.319	0	Anodyne	ref	AEAARO	C1CCC([NH2+]CC2CC2)CC1	 
CCN[C@@H](C)c1ccccc1	ZINC000004549913	28/38/59/167283859	GJKPTDGTWOVONJ-VIFPVBQESA-N	1	149.237	AE	2.357	0	Anodyne	ref	AEAARO	CC[NH2+][C@@H](C)c1ccccc1	 
CCN[C@H](C)c1ccccc1	ZINC000004549915	29/95/04/167299504	GJKPTDGTWOVONJ-SECBINFHSA-N	1	149.237	AE	2.357	0	Anodyne	ref	AEAARO	CC[NH2+][C@H](C)c1ccccc1	 
CCCNC1CCCCC1	ZINC000004699802	99/42/56/342994256	PXKCSKRXWAZGFK-UHFFFAOYSA-N	1	141.258	AE	2.319	0	Anodyne	ref	AEAARO	CCC[NH2+]C1CCCCC1	 
CC(C)Oc1ccccc1C(=O)O	ZINC000004829078	99/61/76/342996176	WWPLDSOFBMZGIJ-UHFFFAOYSA-N	-1	180.203	AE	2.172	0	Anodyne	ref	AEAARM	CC(C)Oc1ccccc1C(=O)[O-]	 
c1ccc(CNCC2CC2)cc1	ZINC000004992648	47/56/37/169475637	QONMRPMQMVTSLW-UHFFFAOYSA-N	1	161.248	AE	2.186	0	Anodyne	ref	AEAARO	c1ccc(C[NH2+]CC2CC2)cc1	 
CC(C)COc1ccc(N)cc1	ZINC000005000139	33/66/34/351336634	NDHJFACYRWUMHT-UHFFFAOYSA-N	0	165.236	AE	2.304	0	Clean	ref	AECARN	CC(C)COc1ccc(N)cc1	 
CC[C@H](Oc1cccc(C)c1)C(=O)O	ZINC000006048935	67/28/74/167672874	IGGVSFFAZIAGTA-JTQLQIEISA-N	-1	194.23	AE	2.237	0	Anodyne	ref	AEAARM	CC[C@H](Oc1cccc(C)c1)C(=O)[O-]	 
Cc1cccc(C)c1O[C@@H](C)C(=O)O	ZINC000006055954	01/20/13/343012013	YCBHDWAQGHERIL-VIFPVBQESA-N	-1	194.23	AE	2.155	0	Anodyne	ref	AEAARM	Cc1cccc(C)c1O[C@@H](C)C(=O)[O-]	 
Cc1cccc(C)c1O[C@H](C)C(=O)O	ZINC000006055960	86/44/40/168864440	YCBHDWAQGHERIL-SECBINFHSA-N	-1	194.23	AE	2.155	0	Anodyne	ref	AEAARM	Cc1cccc(C)c1O[C@H](C)C(=O)[O-]	 
CC(C)COc1cccc(N)c1	ZINC000006679763	35/39/02/351353902	XWYOPVIODQBPPI-UHFFFAOYSA-N	0	165.236	AE	2.304	0	Anodyne	ref	AEAARN	CC(C)COc1cccc(N)c1	 
CC[C@@H](C)Oc1ccc(N)cc1	ZINC000008702433	35/74/23/351357423	KBARUYSFNLJALB-MRVPVSSYSA-N	0	165.236	AE	2.446	0	Clean	ref	AECARN	CC[C@@H](C)Oc1ccc(N)cc1	 
CC[C@H](C)Oc1ccc(N)cc1	ZINC000008702434	02/02/25/343020225	KBARUYSFNLJALB-QMMMGPOBSA-N	0	165.236	AE	2.446	0	Clean	ref	AECARN	CC[C@H](C)Oc1ccc(N)cc1	 
CC(C)(C)C(=O)Nc1cccc(N)c1	ZINC000008703403	34/64/48/166346448	SWZXCZQXUJHQJZ-UHFFFAOYSA-N	0	192.262	AE	2.253	0	Anodyne	ref	AEAARN	CC(C)(C)C(=O)Nc1cccc(N)c1	 
C=C(C)COc1ccc(C(=O)O)cc1	ZINC000008723227	12/61/55/166126155	YZIGMXGSNCLNOR-UHFFFAOYSA-N	-1	192.214	AE	2.34	0	Mild	ref	AEEARM	C=C(C)COc1ccc(C(=O)[O-])cc1