C=CCc1ccc(O)c(OC)c1	ZINC000000001411	20/61/38/166206138	RRAFCDWBNXTKKO-UHFFFAOYSA-N	0	164.204	AE	2.129	0	Mild	ref	AEEARN	C=CCc1ccc(O)c(OC)c1	fda endogenous
CC(C)COC(=O)c1ccc(N)cc1	ZINC000000001586	26/80/25/351268025	PUYOAVGNCWPANW-UHFFFAOYSA-N	0	193.246	AE	2.082	0	Anodyne	ref	AEAARN	CC(C)COC(=O)c1ccc(N)cc1	in-man
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
O=C(O)CCc1c[nH]c2ccccc12	ZINC000000007700	33/93/95/169339395	GOLXRNDWAUTYKT-UHFFFAOYSA-N	-1	189.214	AE	2.185	0	Anodyne	ref	AEAARM	O=C([O-])CCc1c[nH]c2ccccc12	in-man endogenous
O=Cc1ccc(Br)s1	ZINC000000032313	92/42/52/342924252	GFBVUFQNHLUCPX-UHFFFAOYSA-N	0	191.049	AE	2.323	0	Anodyne	ref	AEAARN	O=Cc1ccc(Br)s1	 
Cc1cc(=O)oc2c(C)c(O)ccc12	ZINC000000033985	92/44/75/342924475	MVMMGVPSTRNMSV-UHFFFAOYSA-N	-1	190.198	AE	2.115	3	Anodyne	high	AEAAHM	Cc1cc(=O)oc2c(C)c([O-])ccc12	in-vitro biogenic
Cc1cc(=O)oc2c(C)c(O)ccc12	ZINC000000033985	92/44/71/342924471	MVMMGVPSTRNMSV-UHFFFAOYSA-N	0	190.198	AE	2.115	0	Anodyne	ref	AEAARN	Cc1cc(=O)oc2c(C)c(O)ccc12	in-vitro biogenic
Nc1ccccc1N1CCCCC1	ZINC000000037777	17/77/49/132177749	OYECAJPUPWFCSL-UHFFFAOYSA-N	0	176.263	AE	2.259	0	Anodyne	ref	AEAARN	Nc1ccccc1N1CCCCC1	 
O=C(O)c1ccc2ccccc2c1O	ZINC000000037856	92/46/00/342924600	SJJCQDRGABAVBB-UHFFFAOYSA-N	-1	188.182	AE	2.244	0	Anodyne	ref	AEAARM	O=C([O-])c1ccc2ccccc2c1O	in-vitro
O=C(O)c1cc2ccccc2cc1O	ZINC000000037857	35/69/86/169356986	ALKYHXVLJMQRLQ-UHFFFAOYSA-N	-1	188.182	AE	2.244	0	Anodyne	ref	AEAARM	O=C([O-])c1cc2ccccc2cc1O	in-vitro
Cc1cc(C)c(C#N)c(=S)[nH]1	ZINC000000039678	92/44/66/342924466	CZRHEROEPICLRO-UHFFFAOYSA-N	0	164.233	AE	2.233	0	Mild	ref	AEEARN	Cc1cc(C)c(C#N)c(=S)[nH]1	 
Cc1ccc2cc(N)ccc2n1	ZINC000000052868	92/49/94/342924994	TYJFYUVDUUACKX-UHFFFAOYSA-N	0	158.204	AE	2.125	0	Anodyne	ref	AEAARN	Cc1ccc2cc(N)ccc2n1	in-vitro
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	 
Cc1c(C=O)c2ccccc2n1C	ZINC000000059844	92/54/23/342925423	HYGUWHAXRMPCCP-UHFFFAOYSA-N	0	173.215	AE	2.299	0	Anodyne	ref	AEAARN	Cc1c(C=O)c2ccccc2n1C	 
Cc1cc(C(=O)O)c2ccccc2n1	ZINC000000062063	92/55/94/342925594	UIDHNPTVQFNWOJ-UHFFFAOYSA-N	-1	187.198	AE	2.241	0	Anodyne	ref	AEAARM	Cc1cc(C(=O)[O-])c2ccccc2n1	 
Cc1cc(C=O)c(C)n1C1CC1	ZINC000000065266	92/53/24/342925324	ZBULWGFKZMHJLU-UHFFFAOYSA-N	0	163.22	AE	2.252	0	Anodyne	ref	AEAARN	Cc1cc(C=O)c(C)n1C1CC1	 
Cc1[nH]c2ccc(C(=O)O)cc2c1C	ZINC000000065359	69/90/70/168699070	KHJGIMZYCBPOBG-UHFFFAOYSA-N	-1	189.214	AE	2.483	0	Anodyne	ref	AEAARM	Cc1[nH]c2ccc(C(=O)[O-])cc2c1C	 
N#Cc1cc(-c2ccccc2)oc1N	ZINC000000066647	11/58/43/169115843	UWTDTJWGYWUILP-UHFFFAOYSA-N	0	184.198	AE	2.4	0	Mild	ref	AEEARN	N#Cc1cc(-c2ccccc2)oc1N	 
Nc1ccc(Cc2ccncc2)cc1	ZINC000000067652	99/09/09/170990909	WZXYYQHVDJMIFF-UHFFFAOYSA-N	0	184.242	AE	2.255	0	Clean	ref	AECARN	Nc1ccc(Cc2ccncc2)cc1	 
C1CCN(CC[C@H]2CCCCN2)CC1	ZINC000000068058	09/17/73/166091773	SKMHPZXWMNAWGC-GFCCVEGCSA-N	1	196.338	AE	2.005	3	Anodyne	high	AEAAHO	C1CCN(CC[C@H]2CCCC[NH2+]2)CC1	in-vitro
C1CCN(CC[C@H]2CCCCN2)CC1	ZINC000000068058	09/17/71/166091771	SKMHPZXWMNAWGC-GFCCVEGCSA-N	2	196.338	AE	2.005	0	Anodyne	ref	AEAARP	C1CC[NH+](CC[C@H]2CCCC[NH2+]2)CC1	in-vitro
C1CCN(CC[C@@H]2CCCCN2)CC1	ZINC000000068060	09/11/26/166091126	SKMHPZXWMNAWGC-LBPRGKRZSA-N	1	196.338	AE	2.005	3	Anodyne	high	AEAAHO	C1CCN(CC[C@@H]2CCCC[NH2+]2)CC1	in-vitro
C1CCN(CC[C@@H]2CCCCN2)CC1	ZINC000000068060	09/11/25/166091125	SKMHPZXWMNAWGC-LBPRGKRZSA-N	2	196.338	AE	2.005	0	Anodyne	ref	AEAARP	C1CC[NH+](CC[C@@H]2CCCC[NH2+]2)CC1	in-vitro
CN(C)Cc1c[nH]c2ccccc12	ZINC000000073686	92/58/02/342925802	OCDGBSUVYYVKQZ-UHFFFAOYSA-N	0	174.247	AE	2.229	3	Anodyne	high	AEAAHN	CN(C)Cc1c[nH]c2ccccc12	in-man endogenous
CN(C)Cc1c[nH]c2ccccc12	ZINC000000073686	92/57/99/342925799	OCDGBSUVYYVKQZ-UHFFFAOYSA-N	1	174.247	AE	2.229	0	Anodyne	ref	AEAARO	C[NH+](C)Cc1c[nH]c2ccccc12	in-man endogenous
Cc1ccc2cccc([N+](=O)[O-])c2n1	ZINC000000080354	85/51/89/168855189	UHPGVDHXHDPYQP-UHFFFAOYSA-N	0	188.186	AE	2.451	0	Bother	ref	AEBARN	Cc1ccc2cccc([N+](=O)[O-])c2n1	 
N#CCc1nc2ccccc2s1	ZINC000000080476	10/66/67/169106667	ZMZSYUSDGRJZNT-UHFFFAOYSA-N	0	174.228	AE	2.362	0	Mild	ref	AEEARN	N#CCc1nc2ccccc2s1	 
Nc1ccc(OC(F)(F)F)cc1	ZINC000000081472	29/30/37/169293037	XUJFOSLZQITUOI-UHFFFAOYSA-N	0	177.125	AE	2.167	0	Clean	ref	AECARN	Nc1ccc(OC(F)(F)F)cc1	 
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	 
O=[N+]([O-])c1cccc2[nH]ccc12	ZINC000000082985	26/92/63/351269263	LAVZKLJDKGRZJG-UHFFFAOYSA-N	0	162.148	AE	2.076	0	Bother	ref	AEBARN	O=[N+]([O-])c1cccc2[nH]ccc12	in-vitro
O=C(O)c1cc2cc(F)ccc2[nH]1	ZINC000000083028	35/66/78/169356678	WTXBRZCVLDTWLP-UHFFFAOYSA-N	-1	179.15	AE	2.005	0	Anodyne	ref	AEAARM	O=C([O-])c1cc2cc(F)ccc2[nH]1	in-vitro
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
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	 
Cc1cc(C)n(-c2ccc(N)cc2)n1	ZINC000000109965	74/69/99/168746999	BKLODFMZXGBJAE-UHFFFAOYSA-N	0	187.246	AE	2.071	0	Clean	ref	AECARN	Cc1cc(C)n(-c2ccc(N)cc2)n1	 
Nc1c(O)ccc2ccccc12	ZINC000000119429	28/23/56/169282356	FHMMQQXRSYSWCM-UHFFFAOYSA-N	0	159.188	AE	2.128	0	Anodyne	ref	AEAARN	Nc1c(O)ccc2ccccc12	 
NNc1ccnc2cc(Cl)ccc12	ZINC000000119621	23/86/90/169238690	TWJRTPKEHPDDPG-UHFFFAOYSA-N	0	193.637	AE	2.174	0	Anodyne	ref	AEAARN	NNc1ccnc2cc(Cl)ccc12	 
O=C(O)C12CC3CC(CC(C3)C1)C2	ZINC000000122653	33/59/80/169335980	JIMXXGFJRDUSRO-UHFFFAOYSA-N	-1	180.247	AE	2.287	0	Anodyne	ref	AEAARM	O=C([O-])C12CC3CC(CC(C3)C1)C2	 
COC(=O)c1cc2ccccc2cn1	ZINC000000132552	13/12/32/168131232	ZBCGBIZQNMVMPC-UHFFFAOYSA-N	0	187.198	AE	2.021	0	Anodyne	ref	AEAARN	COC(=O)c1cc2ccccc2cn1	in-vivo
O=C(c1ccccc1)c1cccnc1	ZINC000000136687	36/38/61/169363861	RYMBAPVTUHZCNF-UHFFFAOYSA-N	0	183.21	AE	2.313	0	Anodyne	ref	AEAARN	O=C(c1ccccc1)c1cccnc1	 
Nc1ccccc1-n1cccc1	ZINC000000137173	29/83/38/169298338	GDMZHPUPLWQIBD-UHFFFAOYSA-N	0	158.204	AE	2.059	0	Anodyne	ref	AEAARN	Nc1ccccc1-n1cccc1	 
O=C(O)CSCc1ccccc1	ZINC000000138404	34/22/50/169342250	AWLVTQRRKPBQEQ-UHFFFAOYSA-N	-1	182.244	AE	2.004	0	Anodyne	ref	AEAARM	O=C([O-])CSCc1ccccc1	 
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
O=C(O)c1nc(Cl)ccc1Cl	ZINC000000139433	92/77/46/342927746	HUBANNPOLNYSAD-UHFFFAOYSA-N	-1	192.001	AE	2.087	0	Anodyne	ref	AEAARM	O=C([O-])c1nc(Cl)ccc1Cl	in-vitro
Cc1[nH]c2ccc(F)cc2c1CCN	ZINC000000140728	69/94/34/168699434	AXXQDWYYFLLDCG-UHFFFAOYSA-N	1	192.237	AE	2.117	0	Anodyne	ref	AEAARO	Cc1[nH]c2ccc(F)cc2c1CC[NH3+]	 
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	 
N#Cc1c[nH]c2ccccc12	ZINC000000142407	11/52/74/169115274	CHIFTAQVXHNVRW-UHFFFAOYSA-N	0	142.161	AE	2.04	0	Mild	ref	AEEARN	N#Cc1c[nH]c2ccccc12	 
Nc1nnc(C2CCCCC2)s1	ZINC000000147182	31/13/88/169311388	BLBDGPFJLDEFFL-UHFFFAOYSA-N	0	183.28	AE	2.168	0	Anodyne	ref	AEAARN	Nc1nnc(C2CCCCC2)s1	 
O=Cc1c(F)cccc1Cl	ZINC000000151783	40/20/70/169402070	OACPOWYLLGHGCR-UHFFFAOYSA-N	0	158.559	AE	2.292	0	Anodyne	ref	AEAARN	O=Cc1c(F)cccc1Cl	in-vitro
Clc1nc2ccccc2[nH]1	ZINC000000152282	92/81/29/342928129	AYPSHJCKSDNETA-UHFFFAOYSA-N	0	152.584	AE	2.216	0	Anodyne	ref	AEAARN	Clc1nc2ccccc2[nH]1	 
O=C(O)c1ccc(F)c(Cl)c1	ZINC000000152712	35/71/88/169357188	PKTSBFXIHLYGEY-UHFFFAOYSA-N	-1	174.558	AE	2.177	0	Anodyne	ref	AEAARM	O=C([O-])c1ccc(F)c(Cl)c1	 
Nc1ccc(N2CCCCC2)cc1	ZINC000000152886	17/84/45/132178445	TVOSOIXYPHKEAR-UHFFFAOYSA-N	1	176.263	AE	2.259	1	Clean	mid	AECAMO	Nc1ccc([NH+]2CCCCC2)cc1	 
Nc1ccc(N2CCCCC2)cc1	ZINC000000152886	17/84/42/132178442	TVOSOIXYPHKEAR-UHFFFAOYSA-N	0	176.263	AE	2.259	0	Clean	ref	AECARN	Nc1ccc(N2CCCCC2)cc1	 
CC(=O)c1cc(Cl)ccc1O	ZINC000000153099	31/96/22/166319622	XTGCUDZCCIRWHL-UHFFFAOYSA-N	-1	170.595	AE	2.248	3	Anodyne	high	AEAAHM	CC(=O)c1cc(Cl)ccc1[O-]	 
CC(=O)c1cc(Cl)ccc1O	ZINC000000153099	31/96/20/166319620	XTGCUDZCCIRWHL-UHFFFAOYSA-N	0	170.595	AE	2.248	0	Anodyne	ref	AEAARN	CC(=O)c1cc(Cl)ccc1O	 
Nc1cccc2c(N)cccc12	ZINC000000154653	29/79/62/169297962	KQSABULTKYLFEV-UHFFFAOYSA-N	0	158.204	AE	2.004	0	Anodyne	ref	AEAARN	Nc1cccc2c(N)cccc12	in-vitro
Nc1cccc2c(O)cccc12	ZINC000000154765	29/78/15/169297815	ZBIBQNVRTVLOHQ-UHFFFAOYSA-N	0	159.188	AE	2.128	0	Anodyne	ref	AEAARN	Nc1cccc2c(O)cccc12	 
C=CC1=NC(C)(C)C[C@H](C)O1	ZINC000000156968	16/07/40/166160740	JMQHTHXKRALUHF-ZETCQYMHSA-N	0	153.225	AE	2.158	0	Anodyne	ref	AEAARN	C=CC1=NC(C)(C)C[C@H](C)O1	 
C=CC1=NC(C)(C)C[C@@H](C)O1	ZINC000000156970	16/14/20/166161420	JMQHTHXKRALUHF-SSDOTTSWSA-N	0	153.225	AE	2.158	0	Anodyne	ref	AEAARN	C=CC1=NC(C)(C)C[C@@H](C)O1	 
N#Cc1ccc2[nH]ccc2c1	ZINC000000157017	99/21/06/170992106	YHYLDEVWYOFIJK-UHFFFAOYSA-N	0	142.161	AE	2.04	0	Mild	ref	AEEARN	N#Cc1ccc2[nH]ccc2c1	in-vitro
CCN(CC)c1ccc(C=O)cc1	ZINC000000157147	17/20/89/167172089	MNFZZNNFORDXSV-UHFFFAOYSA-N	0	177.247	AE	2.345	0	Anodyne	ref	AEAARN	CCN(CC)c1ccc(C=O)cc1	in-vitro
O=Cc1c(O)ccc2ccccc12	ZINC000000157162	27/16/68/351271668	NTCCNERMXRIPTR-UHFFFAOYSA-N	-1	172.183	AE	2.358	3	Anodyne	high	AEAAHM	O=Cc1c([O-])ccc2ccccc12	in-vitro
O=Cc1c(O)ccc2ccccc12	ZINC000000157162	27/16/64/351271664	NTCCNERMXRIPTR-UHFFFAOYSA-N	0	172.183	AE	2.358	0	Anodyne	ref	AEAARN	O=Cc1c(O)ccc2ccccc12	in-vitro
O=Cc1cccc(Cl)c1F	ZINC000000157233	92/94/20/342929420	YAOZCMANASAVFN-UHFFFAOYSA-N	0	158.559	AE	2.292	0	Anodyne	ref	AEAARN	O=Cc1cccc(Cl)c1F	 
N#Cc1ccccc1Cl	ZINC000000157274	99/22/54/170992254	NHWQMJMIYICNBP-UHFFFAOYSA-N	0	137.569	AE	2.212	0	Mild	ref	AEEARN	N#Cc1ccccc1Cl	 
COc1ccc(C(C)=O)cc1F	ZINC000000157335	24/60/84/168246084	LQASUDVYVOFKNK-UHFFFAOYSA-N	0	168.167	AE	2.037	0	Anodyne	ref	AEAARN	COc1ccc(C(C)=O)cc1F	 
CC(C)c1ccc(O)c(N)c1	ZINC000000157382	92/93/13/342929313	WXULIANDWRYTKZ-UHFFFAOYSA-N	0	151.209	AE	2.098	0	Anodyne	ref	AEAARN	CC(C)c1ccc(O)c(N)c1	 
CC[C@@H](C)c1ccc(O)c(N)c1	ZINC000000157391	49/76/53/167497653	XKJRYOAGNVYYIU-SSDOTTSWSA-N	0	165.236	AE	2.488	0	Anodyne	ref	AEAARN	CC[C@@H](C)c1ccc(O)c(N)c1	 
CC[C@H](C)c1ccc(O)c(N)c1	ZINC000000157393	92/92/84/342929284	XKJRYOAGNVYYIU-ZETCQYMHSA-N	0	165.236	AE	2.488	0	Anodyne	ref	AEAARN	CC[C@H](C)c1ccc(O)c(N)c1	 
Cc1cc(Cl)ccc1N	ZINC000000157577	92/93/56/342929356	CXNVOWPRHWWCQR-UHFFFAOYSA-N	0	141.601	AE	2.231	0	Anodyne	ref	AEAARN	Cc1cc(Cl)ccc1N	in-vitro
Nc1ccc(F)c(Cl)c1	ZINC000000157622	92/92/62/342929262	YSEMCVGMNUUNRK-UHFFFAOYSA-N	0	145.564	AE	2.061	0	Anodyne	ref	AEAARN	Nc1ccc(F)c(Cl)c1	 
COc1ccc2[nH]ccc2c1	ZINC000000158156	27/14/96/351271496	DWAQDRSOVMLGRQ-UHFFFAOYSA-N	0	147.177	AE	2.176	0	Anodyne	ref	AEAARN	COc1ccc2[nH]ccc2c1	in-vitro
O=Cc1ccc2ccccc2n1	ZINC000000158602	27/17/17/351271717	WPYJKGWLDJECQD-UHFFFAOYSA-N	0	157.172	AE	2.047	0	Anodyne	ref	AEAARN	O=Cc1ccc2ccccc2n1	 
O=Cc1ccnc2ccccc12	ZINC000000158607	27/17/19/351271719	MGCGJBXTNWUHQE-UHFFFAOYSA-N	0	157.172	AE	2.047	0	Anodyne	ref	AEAARN	O=Cc1ccnc2ccccc12	 
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	 
O=C(O)c1cccc(-n2cccc2)c1	ZINC000000158956	92/97/34/342929734	PODFNQCZFHLJPH-UHFFFAOYSA-N	-1	187.198	AE	2.176	0	Anodyne	ref	AEAARM	O=C([O-])c1cccc(-n2cccc2)c1	 
Nc1cccc(-n2cccc2)c1	ZINC000000158964	29/53/69/169295369	PJGDCPOPSNUYHC-UHFFFAOYSA-N	0	158.204	AE	2.059	0	Anodyne	ref	AEAARN	Nc1cccc(-n2cccc2)c1	 
O=C(O)c1ccc(-n2cccc2)cc1	ZINC000000159033	35/79/63/169357963	NLSIIPKSANRIGS-UHFFFAOYSA-N	-1	187.198	AE	2.176	0	Anodyne	ref	AEAARM	O=C([O-])c1ccc(-n2cccc2)cc1	 
Nc1ccc(-n2cccc2)cc1	ZINC000000159039	28/96/73/169289673	NHLHWHRXMZZWGA-UHFFFAOYSA-N	0	158.204	AE	2.059	0	Clean	ref	AECARN	Nc1ccc(-n2cccc2)cc1	in-vitro
CC(=O)/C=C/c1ccc(N(C)C)cc1	ZINC000000159652	92/97/17/342929717	IAMOQOMGCKCSEJ-SNAWJCMRSA-N	0	189.258	AE	2.355	0	Mild	ref	AEEARN	CC(=O)/C=C/c1ccc(N(C)C)cc1	 
CCOc1ccc(C(C)=O)cc1	ZINC000000159744	27/23/66/351272366	YJFNFQHMQJCPRG-UHFFFAOYSA-N	0	164.204	AE	2.288	0	Anodyne	ref	AEAARN	CCOc1ccc(C(C)=O)cc1	 
COc1cc(F)ccc1C(C)=O	ZINC000000160338	23/60/63/168236063	YOXBPWVWNQROBJ-UHFFFAOYSA-N	0	168.167	AE	2.037	0	Anodyne	ref	AEAARN	COc1cc(F)ccc1C(C)=O	 
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	 
Nc1ccccc1OC(F)(F)F	ZINC000000163283	29/89/56/169298956	ZFCOUBUSGHLCDT-UHFFFAOYSA-N	0	177.125	AE	2.167	0	Anodyne	ref	AEAARN	Nc1ccccc1OC(F)(F)F	 
Fc1ccc2cc[nH]c2c1	ZINC000000163312	08/51/63/169085163	YYFFEPUCAKVRJX-UHFFFAOYSA-N	0	135.141	AE	2.307	0	Anodyne	ref	AEAARN	Fc1ccc2cc[nH]c2c1	 
N#CCc1c[nH]c2ccccc12	ZINC000000163492	10/23/11/169102311	DMCPFOBLJMLSNX-UHFFFAOYSA-N	0	156.188	AE	2.234	0	Mild	ref	AEEARN	N#CCc1c[nH]c2ccccc12	in-man endogenous
S=C=Nc1ccccc1	ZINC000000164500	17/75/84/560177584	QKFJKGMPGYROCL-UHFFFAOYSA-N	0	135.191	AE	2.421	0	Reactive	ref	AEGARN	S=C=Nc1ccccc1	in-vitro
O=Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000164501	93/05/42/342930542	HETBKLHJEWXWBM-UHFFFAOYSA-N	0	185.566	AE	2.061	0	Bother	ref	AEBARN	O=Cc1ccc(Cl)c([N+](=O)[O-])c1	 
Oc1cccc(C(F)(F)F)c1	ZINC000000164582	99/28/63/170992863	UGEJOEBBMPOJMT-UHFFFAOYSA-N	0	162.11	AE	2.411	0	Anodyne	ref	AEAARN	Oc1cccc(C(F)(F)F)c1	 
Nc1cccc(OC(F)(F)F)c1	ZINC000000164780	29/69/21/169296921	SADHVOSOZBAAGL-UHFFFAOYSA-N	0	177.125	AE	2.167	0	Anodyne	ref	AEAARN	Nc1cccc(OC(F)(F)F)c1	 
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(F)c(Cl)c1	ZINC000000165047	27/34/77/351273477	GVORVQPNNSASDM-UHFFFAOYSA-N	0	158.559	AE	2.292	0	Anodyne	ref	AEAARN	O=Cc1ccc(F)c(Cl)c1	 
N#Cc1ccc(OC(F)(F)F)cc1	ZINC000000167112	93/08/91/342930891	XWHIXOMWXCHJPP-UHFFFAOYSA-N	0	187.12	AE	2.457	0	Mild	ref	AEEARN	N#Cc1ccc(OC(F)(F)F)cc1	 
COc1ccc(-n2cccc2)c(N)c1	ZINC000000170374	24/30/69/168243069	LKSVZBCORDEARF-UHFFFAOYSA-N	0	188.23	AE	2.068	0	Anodyne	ref	AEAARN	COc1ccc(-n2cccc2)c(N)c1	 
S=c1nc(-c2cccnc2)cc[nH]1	ZINC000000172390	27/37/91/351273791	CGQNGCGHBQHWNP-UHFFFAOYSA-N	0	189.243	AE	2.201	0	Anodyne	ref	AEAARN	S=c1nc(-c2cccnc2)cc[nH]1	 
Nc1ccc(-c2ccc(CO)o2)cc1	ZINC000000188736	29/02/78/169290278	PGRYIWSQXZECGD-UHFFFAOYSA-N	0	189.214	AE	2.021	0	Anodyne	ref	AEAARN	Nc1ccc(-c2ccc(CO)o2)cc1	 
CC(=O)c1sc(=S)n(C)c1C	ZINC000000205940	33/56/15/166335615	PEBZNWZQGFTIPU-UHFFFAOYSA-N	0	187.289	AE	2.327	0	Anodyne	ref	AEAARN	CC(=O)c1sc(=S)n(C)c1C	 
O/N=C1\CCc2c1[nH]c1ccccc21	ZINC000000213074	31/52/98/169315298	NODAYMBGYRYLKA-JLHYYAGUSA-N	0	186.214	AE	2.292	0	Mild	ref	AEEARN	O/N=C1\CCc2c1[nH]c1ccccc21	 
O=C(O)C#Cc1cccc2ccccc12	ZINC000000229765	20/68/45/171206845	AAFMEUUZRXLGAY-UHFFFAOYSA-N	-1	196.205	AE	2.276	0	Mild	ref	AEEARM	O=C([O-])C#Cc1cccc2ccccc12