COc1ccc(O)c(C(C)(C)C)c1	ZINC000000001080	92/37/84/342923784	MRBKEAMVRSLQPH-UHFFFAOYSA-N	0	180.247	AF	2.698	0	Anodyne	ref	AFAARN	COc1ccc(O)c(C(C)(C)C)c1	in-man endogenous
Brc1ccc2cc[nH]c2c1	ZINC000000039643	00/98/60/166009860	MAWGHOPSCKCTPA-UHFFFAOYSA-N	0	196.047	AF	2.93	0	Anodyne	ref	AFAARN	Brc1ccc2cc[nH]c2c1	in-vitro
Clc1ccnc2ccccc12	ZINC000000052598	02/68/31/169026831	KNDOFJFSHZCKGT-UHFFFAOYSA-N	0	163.607	AF	2.888	0	Anodyne	ref	AFAARN	Clc1ccnc2ccccc12	 
O=Cc1cc2ccccc2nc1Cl	ZINC000000061503	40/41/99/169404199	SDKQWXCBSNMYBN-UHFFFAOYSA-N	0	191.617	AF	2.701	0	Anodyne	ref	AFAARN	O=Cc1cc2ccccc2nc1Cl	 
O=C(O)C1(c2ccccc2)CCCC1	ZINC000000062072	92/55/72/342925572	RHPCYZLXNNRRMB-UHFFFAOYSA-N	-1	190.242	AF	2.583	0	Anodyne	ref	AFAARM	O=C([O-])C1(c2ccccc2)CCCC1	 
Clc1ccc2ncccc2c1	ZINC000000066127	02/30/11/169023011	GKJSZXGYFJBYRQ-UHFFFAOYSA-N	0	163.607	AF	2.888	0	Anodyne	ref	AFAARN	Clc1ccc2ncccc2c1	 
CC(=O)c1ccc(Br)cc1	ZINC000000080820	32/18/17/166321817	WYECURVXVYPVAT-UHFFFAOYSA-N	0	199.047	AF	2.652	0	Anodyne	ref	AFAARN	CC(=O)c1ccc(Br)cc1	in-vitro
O=C1CCCc2c1[nH]c1ccccc21	ZINC000000081096	37/23/49/169372349	PDZIFGIQUYFQGK-UHFFFAOYSA-N	0	185.226	AF	2.687	0	Anodyne	ref	AFAARN	O=C1CCCc2c1[nH]c1ccccc21	 
Brc1ccc2[nH]ccc2c1	ZINC000000081120	92/58/42/342925842	VXWVFZFZYXOBTA-UHFFFAOYSA-N	0	196.047	AF	2.93	0	Anodyne	ref	AFAARN	Brc1ccc2[nH]ccc2c1	in-vitro
Cc1cc(Cl)nc(Cl)c1C#N	ZINC000000081496	76/09/71/168760971	LSPMHHJCDSFAAY-UHFFFAOYSA-N	0	187.029	AF	2.569	0	Mild	ref	AFEARN	Cc1cc(Cl)nc(Cl)c1C#N	 
Cc1ccc2[nH]c3c(c2c1)CCCC3=O	ZINC000000085497	92/63/12/342926312	ITWUGZSJDMBOPH-UHFFFAOYSA-N	0	199.253	AF	2.995	0	Anodyne	ref	AFAARN	Cc1ccc2[nH]c3c(c2c1)CCCC3=O	in-vitro biogenic
Cc1sc2ncnc(Cl)c2c1C	ZINC000000097769	01/56/29/169015629	HYOBKTVPACQCBR-UHFFFAOYSA-N	0	198.678	AF	2.962	0	Anodyne	ref	AFAARN	Cc1sc2ncnc(Cl)c2c1C	 
CC(=O)c1cc2ccccc2o1	ZINC000000102698	32/25/75/166322575	YUTFQTAITWWGFH-UHFFFAOYSA-N	0	160.172	AF	2.635	0	Anodyne	ref	AFAARN	CC(=O)c1cc2ccccc2o1	in-vitro
O=C(O)CC12CC3CC(CC(C3)C1)C2	ZINC000000107420	99/16/09/170991609	AOTQGWFNFTVXNQ-UHFFFAOYSA-N	-1	194.274	AF	2.678	0	Anodyne	ref	AFAARM	O=C([O-])CC12CC3CC(CC(C3)C1)C2	 
COc1ccc(C=O)c2ccccc12	ZINC000000119253	24/76/46/168247646	MVXMNHYVCLMLDD-UHFFFAOYSA-N	0	186.21	AF	2.661	0	Anodyne	ref	AFAARN	COc1ccc(C=O)c2ccccc12	 
Nc1ccc(OCc2ccccc2)cc1	ZINC000000119304	29/24/55/169292455	FIIDVVUUWRJXLF-UHFFFAOYSA-N	0	199.253	AF	2.848	0	Clean	ref	AFCARN	Nc1ccc(OCc2ccccc2)cc1	 
CCOC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C	ZINC000000119381	36/43/50/167364350	VIMXTGUGWLAOFZ-NXEZZACHSA-N	0	196.29	AF	2.788	0	Anodyne	ref	AFAARN	CCOC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C	in-vitro
CCOC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C	ZINC000000119385	35/33/06/167353306	VIMXTGUGWLAOFZ-ZJUUUORDSA-N	0	196.29	AF	2.788	0	Anodyne	ref	AFAARN	CCOC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C	in-vitro
CCOC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C	ZINC000000119386	36/39/83/167363983	VIMXTGUGWLAOFZ-VHSXEESVSA-N	0	196.29	AF	2.788	0	Anodyne	ref	AFAARN	CCOC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C	in-vitro
CCOC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C	ZINC000000119389	35/46/47/167354647	VIMXTGUGWLAOFZ-UWVGGRQHSA-N	0	196.29	AF	2.788	0	Anodyne	ref	AFAARN	CCOC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C	in-vitro
Clc1nc2ccccc2nc1Cl	ZINC000000119521	92/74/10/342927410	SPSSDDOTEZKOOV-UHFFFAOYSA-N	0	199.04	AF	2.937	0	Anodyne	ref	AFAARN	Clc1nc2ccccc2nc1Cl	in-vitro
CC(C)c1ccc(/C=C/C(=O)O)cc1	ZINC000000120434	92/74/35/342927435	SJDOOXOUSJDYFE-VMPITWQZSA-N	-1	190.242	AF	2.908	0	Anodyne	ref	AFAARM	CC(C)c1ccc(/C=C/C(=O)[O-])cc1	in-vitro biogenic
Nc1nc(-c2ccc(F)cc2)cs1	ZINC000000126157	30/42/57/169304257	WSOKJBHBMAGBIP-UHFFFAOYSA-N	0	194.234	AF	2.531	0	Anodyne	ref	AFAARN	Nc1nc(-c2ccc(F)cc2)cs1	 
O=C(O)c1cc(Cl)cc(Cl)c1	ZINC000000152667	35/63/37/169356337	CXKCZFDUOYMOOP-UHFFFAOYSA-N	-1	191.013	AF	2.692	0	Anodyne	ref	AFAARM	O=C([O-])c1cc(Cl)cc(Cl)c1	 
Clc1ccc2cc[nH]c2c1	ZINC000000153934	02/38/14/169023814	YTYIMDRWPTUAHP-UHFFFAOYSA-N	0	151.596	AF	2.821	0	Anodyne	ref	AFAARN	Clc1ccc2cc[nH]c2c1	in-vitro
C1=C(c2c[nH]c3ccccc23)CCNC1	ZINC000000154399	07/21/45/166072145	CIRSPTXGPFAXRE-UHFFFAOYSA-N	1	198.269	AF	2.545	0	Anodyne	ref	AFAARO	C1=C(c2c[nH]c3ccccc23)CC[NH2+]C1	in-vivo
Nc1cc(Cl)ccc1Cl	ZINC000000154585	28/57/85/169285785	AVYGCQXNNJPXSS-UHFFFAOYSA-N	0	162.019	AF	2.576	0	Anodyne	ref	AFAARN	Nc1cc(Cl)ccc1Cl	in-vitro
CC(=O)c1ccc2ccccc2c1O	ZINC000000154709	32/72/09/166327209	JBGJVMVWYWUVOW-UHFFFAOYSA-N	-1	186.21	AF	2.748	3	Anodyne	high	AFAAHM	CC(=O)c1ccc2ccccc2c1[O-]	 
CC(=O)c1ccc2ccccc2c1O	ZINC000000154709	32/72/05/166327205	JBGJVMVWYWUVOW-UHFFFAOYSA-N	0	186.21	AF	2.748	0	Anodyne	ref	AFAARN	CC(=O)c1ccc2ccccc2c1O	 
Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000000154725	92/89/00/342928900	ASPDJZINBYYZRU-UHFFFAOYSA-N	0	195.571	AF	2.941	0	Anodyne	ref	AFAARN	Nc1ccc(Cl)c(C(F)(F)F)c1	in-vitro
Nc1cc(-c2ccccc2)ccc1O	ZINC000000154832	28/42/28/169284228	IGIDZGNPFWGICD-UHFFFAOYSA-N	0	185.226	AF	2.641	0	Anodyne	ref	AFAARN	Nc1cc(-c2ccccc2)ccc1O	aggregator
Clc1ccc2[nH]ccc2c1	ZINC000000157082	02/37/86/169023786	MYTGFBZJLDLWQG-UHFFFAOYSA-N	0	151.596	AF	2.821	0	Anodyne	ref	AFAARN	Clc1ccc2[nH]ccc2c1	in-vitro
N#Cc1c(Cl)cccc1Cl	ZINC000000157318	11/46/23/169114623	YOYAIZYFCNQIRF-UHFFFAOYSA-N	0	172.014	AF	2.865	0	Mild	ref	AFEARN	N#Cc1c(Cl)cccc1Cl	in-vitro
COc1ccc2nc(C)ccc2c1	ZINC000000157422	26/61/96/168266196	NAGJQQFMJKMXJQ-UHFFFAOYSA-N	0	173.215	AF	2.552	0	Anodyne	ref	AFAARN	COc1ccc2nc(C)ccc2c1	 
Nc1ccc(Cl)c(Cl)c1	ZINC000000157572	92/92/56/342929256	SDYWXFYBZPNOFX-UHFFFAOYSA-N	0	162.019	AF	2.576	0	Anodyne	ref	AFAARN	Nc1ccc(Cl)c(Cl)c1	in-vitro
Cc1nc(-c2cccc(N)c2)cs1	ZINC000000158916	92/97/00/342929700	CPHZPWZSSBCSAH-UHFFFAOYSA-N	0	190.271	AF	2.701	0	Anodyne	ref	AFAARN	Cc1nc(-c2cccc(N)c2)cs1	in-vitro
N#Cc1cc(Cl)ccc1Cl	ZINC000000159768	11/70/72/169117072	LNGWRTKJZCBXGT-UHFFFAOYSA-N	0	172.014	AF	2.865	0	Mild	ref	AFEARN	N#Cc1cc(Cl)ccc1Cl	 
O=C(O)c1cc(Cl)ccc1Cl	ZINC000000159786	35/63/69/169356369	QVTQYSFCFOGITD-UHFFFAOYSA-N	-1	191.013	AF	2.692	0	Anodyne	ref	AFAARM	O=C([O-])c1cc(Cl)ccc1Cl	in-vitro
N#Cc1cccc(C(F)(F)F)c1	ZINC000000159801	12/49/36/169124936	OGOBINRVCUWLGN-UHFFFAOYSA-N	0	171.121	AF	2.577	0	Mild	ref	AFEARN	N#Cc1cccc(C(F)(F)F)c1	 
O=C(c1ccccc1)c1cccs1	ZINC000000160637	36/42/33/169364233	DWYFUJJWTRPARQ-UHFFFAOYSA-N	0	188.251	AF	2.979	0	Anodyne	ref	AFAARN	O=C(c1ccccc1)c1cccs1	 
CCC(=O)c1c[nH]c2ccccc12	ZINC000000163179	93/05/38/342930538	KMVYYLYKRGELJE-UHFFFAOYSA-N	0	173.215	AF	2.761	0	Anodyne	ref	AFAARN	CCC(=O)c1c[nH]c2ccccc12	 
N#Cc1ccc(C(F)(F)F)cc1	ZINC000000164419	11/98/97/169119897	DRNJIKRLQJRKMM-UHFFFAOYSA-N	0	171.121	AF	2.577	0	Mild	ref	AFEARN	N#Cc1ccc(C(F)(F)F)cc1	 
Fc1ccc(N=C=S)c(F)c1	ZINC000000164717	17/75/45/560177545	ABGGPKIFVAIRGU-UHFFFAOYSA-N	0	171.171	AF	2.699	0	Reactive	ref	AFGARN	Fc1ccc(N=C=S)c(F)c1	in-vitro
O=C(O)c1cc2cc(Cl)ccc2[nH]1	ZINC000000164954	35/63/84/169356384	FUQOTYRCMBZFOL-UHFFFAOYSA-N	-1	195.605	AF	2.519	0	Anodyne	ref	AFAARM	O=C([O-])c1cc2cc(Cl)ccc2[nH]1	in-vitro
O=C/C=C(\Cl)c1ccc(F)cc1	ZINC000000165120	36/55/32/169365532	PMRMSGNJEJXYGD-UITAMQMPSA-N	0	184.597	AF	2.604	0	Reactive	ref	AFGARN	O=C/C=C(\Cl)c1ccc(F)cc1	 
Cc1ccc2[nH]c3c(c2c1)CCC3=O	ZINC000000210083	93/17/10/342931710	ZMCWEOAISQPYOU-UHFFFAOYSA-N	0	185.226	AF	2.605	0	Anodyne	ref	AFAARN	Cc1ccc2[nH]c3c(c2c1)CCC3=O	 
Nc1ccc2c3c(cccc13)C(=O)C=C2	ZINC000000225905	29/45/15/169294515	LNWQVXDBQBAGHD-UHFFFAOYSA-N	0	195.221	AF	2.632	0	Mild	ref	AFEARN	Nc1ccc2c3c(cccc13)C(=O)C=C2	 
c1ccc(-c2nc3ccccc3[nH]2)nc1	ZINC000000225950	27/45/83/351274583	YNFBMDWHEHETJW-UHFFFAOYSA-N	0	195.225	AF	2.625	0	Anodyne	ref	AFAARN	c1ccc(-c2nc3ccccc3[nH]2)nc1	in-vivo
O=Cc1ccc(-c2ccc(F)cc2)o1	ZINC000000242198	27/40/95/351274095	CKQKBILGSICMPT-UHFFFAOYSA-N	0	190.173	AF	2.898	0	Anodyne	ref	AFAARN	O=Cc1ccc(-c2ccc(F)cc2)o1	 
N#CC1(c2ccc(N)cc2)CCCC1	ZINC000000246418	93/20/80/342932080	GIBAIULVBOBDED-UHFFFAOYSA-N	0	186.258	AF	2.604	0	Mild	ref	AFEARN	N#CC1(c2ccc(N)cc2)CCCC1	 
CC(=C/C(=O)O)/C=C/c1ccccc1	ZINC000000262303	23/06/70/166230670	QBUCMPDJJMSFCR-GOJKSUSPSA-N	-1	188.226	AF	2.731	0	Anodyne	ref	AFAARM	CC(=C/C(=O)[O-])/C=C/c1ccccc1	 
Nc1ccc(-c2ccc(N)cc2)cc1	ZINC000000265747	29/05/81/169290581	HFACYLZERDEVSX-UHFFFAOYSA-N	0	184.242	AF	2.518	0	Anodyne	ref	AFAARN	Nc1ccc(-c2ccc(N)cc2)cc1	in-man biogenic
Cc1ccc(C)n1-c1ccc(N)cc1	ZINC000000267012	80/73/29/168807329	OGCFQHCSVLMKFD-UHFFFAOYSA-N	0	186.258	AF	2.676	0	Clean	ref	AFCARN	Cc1ccc(C)n1-c1ccc(N)cc1	 
Cc1ccc(C)n1-c1cccc(N)c1	ZINC000000267014	93/25/06/342932506	PFZUTDHSWLXVSZ-UHFFFAOYSA-N	0	186.258	AF	2.676	0	Clean	ref	AFCARN	Cc1ccc(C)n1-c1cccc(N)c1	 
CSc1ccc(C(C)=O)cc1	ZINC000000330143	31/11/22/168311122	JECUZQLBQKNEMW-UHFFFAOYSA-N	0	166.245	AF	2.611	0	Anodyne	ref	AFAARN	CSc1ccc(C(C)=O)cc1	 
Cc1nc2ccccc2nc1Cl	ZINC000000331724	93/36/61/342933661	PXDLUYLWPJMGJA-UHFFFAOYSA-N	0	178.622	AF	2.592	0	Anodyne	ref	AFAARN	Cc1nc2ccccc2nc1Cl	 
Nc1ccc(N2CCCCCC2)cc1	ZINC000000352045	29/26/02/169292602	RDUONPQXZRHVKQ-UHFFFAOYSA-N	0	190.29	AF	2.649	1	Clean	mid	AFCAMN	Nc1ccc(N2CCCCCC2)cc1	 
Nc1ccc(N2CCCCCC2)cc1	ZINC000000352045	29/26/00/169292600	RDUONPQXZRHVKQ-UHFFFAOYSA-N	1	190.29	AF	2.649	0	Clean	ref	AFCARO	Nc1ccc([NH+]2CCCCCC2)cc1	 
Cc1ccc2oc(C(=O)O)c(C)c2c1	ZINC000000359383	85/70/49/168857049	CITKJMOBBHFQBZ-UHFFFAOYSA-N	-1	190.198	AF	2.748	0	Anodyne	ref	AFAARM	Cc1ccc2oc(C(=O)[O-])c(C)c2c1	 
NN(c1ccccc1)c1ccccc1	ZINC000000388098	23/20/63/169232063	YHYKLKNNBYLTQY-UHFFFAOYSA-N	0	184.242	AF	2.698	0	Anodyne	ref	AFAARN	NN(c1ccccc1)c1ccccc1	 
S=c1ccc2ccccc2[nH]1	ZINC000000388109	27/71/62/351277162	KXZSVYHFYHTNBI-UHFFFAOYSA-N	-1	161.229	AF	2.897	3	Anodyne	high	AFAAHM	S=c1ccc2ccccc2[n-]1	 
S=c1ccc2ccccc2[nH]1	ZINC000000388109	27/71/58/351277158	KXZSVYHFYHTNBI-UHFFFAOYSA-N	-1	161.229	AF	2.897	0	Anodyne	ref	AFAARM	S=c1ccc2ccccc2[nH]1	 
O=C(O)c1c(Cl)cccc1Cl	ZINC000000388505	35/53/41/169355341	MRUDNSFOFOQZDA-UHFFFAOYSA-N	-1	191.013	AF	2.692	0	Anodyne	ref	AFAARM	O=C([O-])c1c(Cl)cccc1Cl	in-vitro
CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000000388662	29/32/41/166293241	KGEKLUUHTZCSIP-JBLDHEPKSA-N	0	196.29	AF	2.764	0	Anodyne	ref	AFAARN	CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	in-man biogenic
CC(C)CCOC(=O)c1ccccc1	ZINC000000394936	27/83/93/351278393	MLLAPOCBLWUFAP-UHFFFAOYSA-N	0	192.258	AF	2.89	0	Anodyne	ref	AFAARN	CC(C)CCOC(=O)c1ccccc1	in-man endogenous
CCOC(=O)c1ccc(Cl)cc1	ZINC000000397929	37/27/71/167372771	RWBYCMPOFNRISR-UHFFFAOYSA-N	0	184.622	AF	2.517	0	Anodyne	ref	AFAARN	CCOC(=O)c1ccc(Cl)cc1	 
C/C=C/c1ccc(OC)c(OC)c1	ZINC000000404370	06/67/62/166066762	NNWHUJCUHAELCL-SNAWJCMRSA-N	0	178.231	AF	2.737	0	Anodyne	ref	AFAARN	C/C=C/c1ccc(OC)c(OC)c1	in-vitro biogenic
Clc1cccc2[nH]ccc12	ZINC000000407089	02/52/64/169025264	SVLZRCRXNHITBY-UHFFFAOYSA-N	0	151.596	AF	2.821	0	Anodyne	ref	AFAARN	Clc1cccc2[nH]ccc12	in-vitro
CCC(=O)c1cccc(Cl)c1	ZINC000000407109	93/89/16/342938916	PQWGFUFROKIJBO-UHFFFAOYSA-N	0	168.623	AF	2.933	0	Anodyne	ref	AFAARN	CCC(=O)c1cccc(Cl)c1	in-vitro
CC1CCN(c2ccc(N)cc2)CC1	ZINC000000445022	17/83/22/132178322	UZQJQJNKYMSTCP-UHFFFAOYSA-N	1	190.29	AF	2.505	1	Clean	mid	AFCAMO	CC1CC[NH+](c2ccc(N)cc2)CC1	 
CC1CCN(c2ccc(N)cc2)CC1	ZINC000000445022	17/83/17/132178317	UZQJQJNKYMSTCP-UHFFFAOYSA-N	0	190.29	AF	2.505	0	Clean	ref	AFCARN	CC1CCN(c2ccc(N)cc2)CC1	 
CC[C@@H](C)Oc1ccc(C(=O)O)cc1	ZINC000000489618	48/35/91/167483591	LCMFDJQAHNDLEI-MRVPVSSYSA-N	-1	194.23	AF	2.562	0	Anodyne	ref	AFAARM	CC[C@@H](C)Oc1ccc(C(=O)[O-])cc1	 
CC[C@H](C)Oc1ccc(C(=O)O)cc1	ZINC000000489619	94/00/27/342940027	LCMFDJQAHNDLEI-QMMMGPOBSA-N	-1	194.23	AF	2.562	0	Anodyne	ref	AFAARM	CC[C@H](C)Oc1ccc(C(=O)[O-])cc1	 
CC(=O)Cc1ccc(OC(C)C)cc1	ZINC000000506758	24/73/06/166247306	HBMPUJYWIFQALP-UHFFFAOYSA-N	0	192.258	AF	2.605	0	Anodyne	ref	AFAARN	CC(=O)Cc1ccc(OC(C)C)cc1	 
O=C(c1ccccn1)C1CCCCC1	ZINC000000507007	36/37/46/169363746	REJDKOCOTFKBQC-UHFFFAOYSA-N	0	189.258	AF	2.845	0	Anodyne	ref	AFAARN	O=C(c1ccccn1)C1CCCCC1	 
CCCC(=O)[C@H]1CCOC(C)(C)C1	ZINC000000507425	94/03/03/342940303	LIZFMFUFFJOVCU-VIFPVBQESA-N	0	184.279	AF	2.561	0	Anodyne	ref	AFAARN	CCCC(=O)[C@H]1CCOC(C)(C)C1	 
CCCC(=O)[C@@H]1CCOC(C)(C)C1	ZINC000000507426	94/03/79/342940379	LIZFMFUFFJOVCU-SECBINFHSA-N	0	184.279	AF	2.561	0	Anodyne	ref	AFAARN	CCCC(=O)[C@@H]1CCOC(C)(C)C1	 
O=C1CCCc2[nH]c3ccccc3c21	ZINC000000519622	37/27/94/169372794	DSXKDTZEIWTHRO-UHFFFAOYSA-N	0	185.226	AF	2.687	0	Anodyne	ref	AFAARN	O=C1CCCc2[nH]c3ccccc3c21	in-vitro
CC[C@@H](C)Oc1cccc(C(=O)O)c1	ZINC000000523144	28/14/64/351281464	IAQNJTPPIHLAJV-MRVPVSSYSA-N	-1	194.23	AF	2.562	0	Anodyne	ref	AFAARM	CC[C@@H](C)Oc1cccc(C(=O)[O-])c1	 
CC[C@H](C)Oc1cccc(C(=O)O)c1	ZINC000000523145	94/08/75/342940875	IAQNJTPPIHLAJV-QMMMGPOBSA-N	-1	194.23	AF	2.562	0	Anodyne	ref	AFAARM	CC[C@H](C)Oc1cccc(C(=O)[O-])c1	 
CC1CCN(c2ccccc2N)CC1	ZINC000000537724	17/93/76/132179376	MOJQNIVEQAVVGV-UHFFFAOYSA-N	0	190.29	AF	2.505	0	Anodyne	ref	AFAARN	CC1CCN(c2ccccc2N)CC1	 
ClC1(Cl)CC12CCC2	ZINC000000544320	94/07/76/342940776	QXGJRKIAUUUNJH-UHFFFAOYSA-N	0	151.036	AF	2.734	0	Anodyne	ref	AFAARN	ClC1(Cl)CC12CCC2	 
Nc1cccc(Cl)c1N1CCCC1	ZINC000000556351	29/65/61/169296561	AURSQVBYAKAFDC-UHFFFAOYSA-N	0	196.681	AF	2.522	0	Anodyne	ref	AFAARN	Nc1cccc(Cl)c1N1CCCC1	 
O=Cc1ccc(-c2ccccc2F)o1	ZINC000000569870	28/25/71/351282571	KGGOAPVMWNGAQS-UHFFFAOYSA-N	0	190.173	AF	2.898	0	Anodyne	ref	AFAARN	O=Cc1ccc(-c2ccccc2F)o1	 
c1csc(CNC2CCCC2)c1	ZINC000000570993	94/12/02/342941202	CRLHPNUFQXBBAO-UHFFFAOYSA-N	1	181.304	AF	2.78	0	Anodyne	ref	AFAARO	c1csc(C[NH2+]C2CCCC2)c1	 
Nc1ccc(N2CCCC2)c(Cl)c1	ZINC000000783309	94/12/67/342941267	FAJSLXVGFFLZMR-UHFFFAOYSA-N	0	196.681	AF	2.522	0	Anodyne	ref	AFAARN	Nc1ccc(N2CCCC2)c(Cl)c1	 
NCc1cccc(Oc2ccccc2)c1	ZINC000000816350	22/48/03/169224803	OWIFNISFRBVGIX-UHFFFAOYSA-N	1	199.253	AF	2.938	0	Anodyne	ref	AFAARO	[NH3+]Cc1cccc(Oc2ccccc2)c1	 
CC(=O)c1ccc(Cl)cc1	ZINC000000896324	32/50/89/166325089	BUZYGTVTZYSBCU-UHFFFAOYSA-N	0	154.596	AF	2.543	0	Anodyne	ref	AFAARN	CC(=O)c1ccc(Cl)cc1	in-vitro
c1ccc2c3c([nH]c2c1)CCC3	ZINC000000967262	28/33/92/351283392	HZDXFZHFEASSBM-UHFFFAOYSA-N	0	157.216	AF	2.657	0	Anodyne	ref	AFAARN	c1ccc2c3c([nH]c2c1)CCC3	 
Nc1ccccc1-c1ccccc1	ZINC000000967337	29/80/63/169298063	TWBPWBPGNQWFSJ-UHFFFAOYSA-N	0	169.227	AF	2.936	0	Anodyne	ref	AFAARN	Nc1ccccc1-c1ccccc1	in-vitro
c1ccc(Cc2ccccn2)cc1	ZINC000000967345	47/56/01/169475601	PCFUWBOSXMKGIP-UHFFFAOYSA-N	0	169.227	AF	2.672	0	Anodyne	ref	AFAARN	c1ccc(Cc2ccccn2)cc1	in-vitro
CC1=CC[C@H]2C[C@@H]1C2(C)C	ZINC000000967580	94/22/72/342942272	GRWFGVWFFZKLTI-IUCAKERBSA-N	0	136.238	AF	2.999	0	Anodyne	ref	AFAARN	CC1=CC[C@H]2C[C@@H]1C2(C)C	in-man endogenous
Cc1ccc(C(C)C)c(O)c1	ZINC000000967597	94/23/76/342942376	MGSRCZKZVOBKFT-UHFFFAOYSA-N	0	150.221	AF	2.824	0	Anodyne	ref	AFAARN	Cc1ccc(C(C)C)c(O)c1	fda biogenic
C/C=C/c1ccc(OC)cc1	ZINC000000967630	06/75/12/166067512	RUVINXPYWBROJD-ONEGZZNKSA-N	0	148.205	AF	2.728	0	Anodyne	ref	AFAARN	C/C=C/c1ccc(OC)cc1	in-man metabolite
CC(C)[C@@H]1CC[C@@H](C)CC1=O	ZINC000000967796	94/24/08/342942408	NFLGAXVYCFJBMK-BDAKNGLRSA-N	0	154.253	AF	2.648	0	Anodyne	ref	AFAARN	CC(C)[C@@H]1CC[C@@H](C)CC1=O	in-man endogenous
C=C1[C@@H]2CC[C@@H](C2)C1(C)C	ZINC000000968230	15/13/48/166151348	CRPUJAZIXJMDBK-BDAKNGLRSA-N	0	136.238	AF	2.999	0	Mild	ref	AFEARN	C=C1[C@@H]2CC[C@@H](C2)C1(C)C	in-man biogenic
O=C1c2ccccc2-c2ccccc21	ZINC000000968253	39/34/02/169393402	YLQWCDOCJODRMT-UHFFFAOYSA-N	0	180.206	AF	2.898	0	Anodyne	ref	AFAARN	O=C1c2ccccc2-c2ccccc21	in-vitro
CC(=O)c1cc(C)sc1C	ZINC000001081105	32/04/61/166320461	PUSJAEJRDNPYKM-UHFFFAOYSA-N	0	154.234	AF	2.568	0	Anodyne	ref	AFAARN	CC(=O)c1cc(C)sc1C	in-man endogenous
CC(C)(C)C1CCC(=O)CC1	ZINC000001081255	34/99/88/166349988	YKFKEYKJGVSEIX-UHFFFAOYSA-N	0	154.253	AF	2.792	0	Anodyne	ref	AFAARN	CC(C)(C)C1CCC(=O)CC1	in-man
CC(=O)O[C@@H]1C[C@H](C)CC(C)(C)C1	ZINC000001081411	29/07/68/166290768	OIVWFAFCHQDCCG-WCBMZHEXSA-N	0	184.279	AF	2.764	0	Anodyne	ref	AFAARN	CC(=O)O[C@@H]1C[C@H](C)CC(C)(C)C1