O=C(O)c1ccc2nccnc2c1	ZINC000000037412	92/46/22/342924622	JGQDBVXRYDEWGM-UHFFFAOYSA-N	-1	174.159	AD	1.328	0	Anodyne	ref	ADAARM	O=C([O-])c1ccc2nccnc2c1	in-vitro
Cc1nc(C)c(CC(=O)O)s1	ZINC000000064846	92/54/07/342925407	VVEIGFCSKPLKGZ-UHFFFAOYSA-N	-1	171.221	AD	1.387	0	Anodyne	ref	ADAARM	Cc1nc(C)c(CC(=O)[O-])s1	 
N#Cc1cc(Cl)ccn1	ZINC000000065282	11/71/95/169117195	DYEZRXLVZMZHQT-UHFFFAOYSA-N	0	138.557	AD	1.607	0	Mild	ref	ADEARN	N#Cc1cc(Cl)ccn1	 
NCCc1nc2ccccc2[nH]1	ZINC000000080438	20/08/47/169200847	GJEPMYMUORZPMP-UHFFFAOYSA-N	1	161.208	AD	1.064	0	Anodyne	ref	ADAARO	[NH3+]CCc1nc2ccccc2[nH]1	 
Nc1ccc(Oc2cccnc2)nc1	ZINC000000092655	29/23/23/169292323	YGWSGSCQMYIFRQ-UHFFFAOYSA-N	0	187.202	AD	1.851	0	Anodyne	ref	ADAARN	Nc1ccc(Oc2cccnc2)nc1	 
Nc1cccc(-c2cnco2)c1	ZINC000000106648	29/59/91/169295991	AIELNJDAOGTASK-UHFFFAOYSA-N	0	160.176	AD	1.924	0	Anodyne	ref	ADAARN	Nc1cccc(-c2cnco2)c1	in-vitro
NCc1nc2ccccc2[nH]1	ZINC000000119677	23/02/71/169230271	UCOSRTUSVXHIMK-UHFFFAOYSA-N	0	147.181	AD	1.022	1	Anodyne	mid	ADAAMN	NCc1nc2ccccc2[nH]1	 
NCc1nc2ccccc2[nH]1	ZINC000000119677	23/02/69/169230269	UCOSRTUSVXHIMK-UHFFFAOYSA-N	1	147.181	AD	1.022	0	Anodyne	ref	ADAARO	[NH3+]Cc1nc2ccccc2[nH]1	 
NCCc1c[nH]c2ccccc12	ZINC000000120144	19/66/19/169196619	APJYDQYYACXCRM-UHFFFAOYSA-N	1	160.22	AD	1.669	0	Anodyne	ref	ADAARO	[NH3+]CCc1c[nH]c2ccccc12	in-man endogenous
Nc1ccc2[nH]ncc2c1	ZINC000000152290	92/80/90/342928090	XBTOSRUBOXQWBO-UHFFFAOYSA-N	0	133.154	AD	1.145	0	Anodyne	ref	ADAARN	Nc1ccc2n[nH]cc2c1	in-vitro
COC(=O)c1ccc(Cl)cc1N	ZINC000000152841	13/28/17/168132817	YPSSCICDVDOEAI-UHFFFAOYSA-N	0	185.61	AD	1.709	0	Anodyne	ref	ADAARN	COC(=O)c1ccc(Cl)cc1N	in-vitro
CC(C)(C)OC(=O)N1CCC(=O)CC1	ZINC000000154062	36/93/25/166369325	ROUYFJUVMYHXFJ-UHFFFAOYSA-N	0	199.25	AD	1.586	0	Anodyne	ref	ADAARN	CC(C)(C)OC(=O)N1CCC(=O)CC1	in-vitro
O=Cc1cc2cccc3c2n(c1=O)CC3	ZINC000000154338	27/16/98/351271698	BHQKLXHVZPNJJF-UHFFFAOYSA-N	0	199.209	AD	1.37	0	Anodyne	ref	ADAARN	O=Cc1cc2cccc3c2n(c1=O)CC3	 
Nc1cc2ccccc2cn1	ZINC000000157801	28/90/01/169289001	VYCKDIRCVDCQAE-UHFFFAOYSA-N	1	144.177	AD	1.817	1	Anodyne	mid	ADAAMO	Nc1cc2ccccc2c[nH+]1	 
Nc1cc2ccccc2cn1	ZINC000000157801	28/89/99/169288999	VYCKDIRCVDCQAE-UHFFFAOYSA-N	1	144.177	AD	1.817	0	Anodyne	ref	ADAARO	Nc1cc2ccccc2cn1	 
Cc1nc(C)c(C(=O)O)s1	ZINC000000158615	92/97/19/342929719	MQGBARXPCXAFRZ-UHFFFAOYSA-N	-1	157.194	AD	1.458	0	Anodyne	ref	ADAARM	Cc1nc(C)c(C(=O)[O-])s1	in-vitro
O=C(O)C1=Cc2ccccc2OC1	ZINC000000158998	33/55/13/169335513	DEBZQUFVQZPPLC-UHFFFAOYSA-N	-1	176.171	AD	1.547	0	Anodyne	ref	ADAARM	O=C([O-])C1=Cc2ccccc2OC1	 
CC(=O)c1ccc(Cl)nc1	ZINC000000161835	32/52/73/166325273	UXSNZYGTQTXRAD-UHFFFAOYSA-N	0	155.584	AD	1.938	0	Anodyne	ref	ADAARN	CC(=O)c1ccc(Cl)nc1	 
Cn1cc2cc([N+](=O)[O-])ccc2n1	ZINC000000161996	04/29/13/169042913	IWPBWVZEOVCZRX-UHFFFAOYSA-N	0	177.163	AD	1.481	0	Bother	ref	ADBARN	Cn1cc2cc([N+](=O)[O-])ccc2n1	 
O=S1(=O)C=Cc2ccccc21	ZINC000000162011	93/01/87/342930187	FRJNKYGTHPUSJR-UHFFFAOYSA-N	0	166.201	AD	1.445	0	Anodyne	ref	ADAARN	O=S1(=O)C=Cc2ccccc21	 
O=C(O)[C@@H]1CCc2ccccc2O1	ZINC000000163772	34/74/96/169347496	SFLFCQJQOIZMHF-VIFPVBQESA-N	-1	178.187	AD	1.465	0	Anodyne	ref	ADAARM	O=C([O-])[C@@H]1CCc2ccccc2O1	 
O=C(O)[C@H]1CCc2ccccc2O1	ZINC000000163773	35/30/12/169353012	SFLFCQJQOIZMHF-SECBINFHSA-N	-1	178.187	AD	1.465	0	Anodyne	ref	ADAARM	O=C([O-])[C@H]1CCc2ccccc2O1	 
O=C(O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000000167449	35/81/79/169358179	WVZBIQSKLXJFNX-UHFFFAOYSA-N	-1	185.11	AD	1.432	0	Bother	ref	ADBARM	O=C([O-])c1ccc([N+](=O)[O-])c(F)c1	 
Cc1noc(-c2ccccc2O)n1	ZINC000000182229	93/12/13/342931213	BNZFLGOJGSANMC-UHFFFAOYSA-N	-1	176.175	AD	1.751	3	Anodyne	high	ADAAHM	Cc1noc(-c2ccccc2[O-])n1	 
Cc1noc(-c2ccccc2O)n1	ZINC000000182229	93/12/11/342931211	BNZFLGOJGSANMC-UHFFFAOYSA-N	0	176.175	AD	1.751	0	Anodyne	ref	ADAARN	Cc1noc(-c2ccccc2O)n1	 
Nc1ccc(CN2CCCC2)cc1	ZINC000000266960	29/13/05/169291305	SFEAIUCOZWDYMJ-UHFFFAOYSA-N	1	176.263	AD	1.865	0	Clean	ref	ADCARO	Nc1ccc(C[NH+]2CCCC2)cc1	 
Nc1cnc(-c2ccccc2)nc1	ZINC000000284082	30/17/63/169301763	YUPYDSQWLFBBJJ-UHFFFAOYSA-N	0	171.203	AD	1.726	0	Anodyne	ref	ADAARN	Nc1cnc(-c2ccccc2)nc1	 
O=C(O)c1cc(Cl)ccn1	ZINC000000332946	35/68/47/169356847	NNMYRMGMVLMQAY-UHFFFAOYSA-N	-1	157.556	AD	1.433	0	Anodyne	ref	ADAARM	O=C([O-])c1cc(Cl)ccn1	 
CCOC(=O)c1cncc(C#N)c1	ZINC000000335194	37/50/59/167375059	PQINZTXTQYRDBV-UHFFFAOYSA-N	0	176.175	AD	1.13	0	Mild	ref	ADEARN	CCOC(=O)c1cncc(C#N)c1	 
COC(=O)c1cc(Cl)ccn1	ZINC000000337474	12/88/63/168128863	VTENWIPSWAMPKI-UHFFFAOYSA-N	0	171.583	AD	1.522	0	Anodyne	ref	ADAARN	COC(=O)c1cc(Cl)ccn1	in-vitro
NC(=O)C1(c2ccccc2)CCCC1	ZINC000000341155	14/78/20/169147820	YVYGTOKASGORSO-UHFFFAOYSA-N	0	189.258	AD	1.984	0	Anodyne	ref	ADAARN	NC(=O)C1(c2ccccc2)CCCC1	 
COc1ccc(Cl)cc1CO	ZINC000000394752	25/30/12/168253012	GFCZAZVHUMJMJN-UHFFFAOYSA-N	0	172.611	AD	1.841	0	Anodyne	ref	ADAARN	COc1ccc(Cl)cc1CO	 
O=C1CCc2cc(O)ccc21	ZINC000000403326	37/72/73/169377273	ZRKQOVXGDIZYDS-UHFFFAOYSA-N	-1	148.161	AD	1.521	1	Anodyne	mid	ADAAMM	O=C1CCc2cc([O-])ccc21	 
O=C1CCc2cc(O)ccc21	ZINC000000403326	37/72/72/169377272	ZRKQOVXGDIZYDS-UHFFFAOYSA-N	0	148.161	AD	1.521	0	Anodyne	ref	ADAARN	O=C1CCc2cc(O)ccc21	 
O=C(O)c1ccc(F)cc1O	ZINC000000404178	35/72/22/169357222	TTZOLDXHOCCNMF-UHFFFAOYSA-N	-1	156.112	AD	1.229	0	Anodyne	ref	ADAARM	O=C([O-])c1ccc(F)cc1O	 
COC(=O)c1cccc(C(=O)O)c1	ZINC000000404191	13/43/32/168134332	WMZNGTSLFSJHMZ-UHFFFAOYSA-N	-1	180.159	AD	1.171	0	Anodyne	ref	ADAARM	COC(=O)c1cccc(C(=O)[O-])c1	 
COC(=O)Cc1nc2ccccc2[nH]1	ZINC000000406020	09/82/11/168098211	XRCSXYDSFRSLEX-UHFFFAOYSA-N	0	190.202	AD	1.278	0	Anodyne	ref	ADAARN	COC(=O)Cc1nc2ccccc2[nH]1	 
Cc1c(C(=O)O)oc2c1C(=O)CCC2	ZINC000000533068	94/07/54/342940754	ZPTMWVDSVJOEEB-UHFFFAOYSA-N	-1	194.186	AD	1.805	0	Anodyne	ref	ADAARM	Cc1c(C(=O)[O-])oc2c1C(=O)CCC2	 
CSc1nnc([C@H]2CCCN2)o1	ZINC000000538178	31/75/58/168317558	XIPXGHXRZZSKMB-RXMQYKEDSA-N	0	185.252	AD	1.216	3	Anodyne	high	ADABHN	CSc1nnc([C@H]2CCCN2)o1	 
CSc1nnc([C@H]2CCCN2)o1	ZINC000000538178	31/75/57/168317557	XIPXGHXRZZSKMB-RXMQYKEDSA-N	1	185.252	AD	1.216	0	Anodyne	ref	ADABRO	CSc1nnc([C@H]2CCC[NH2+]2)o1	 
N#Cc1cc(Br)ccc1N	ZINC000000730504	11/50/84/169115084	OATYCBHROMXWJO-UHFFFAOYSA-N	0	197.035	AD	1.903	0	Mild	ref	ADEARN	N#Cc1cc(Br)ccc1N	 
Nc1ccnn1Cc1ccccc1	ZINC000000807913	30/10/08/169301008	CJDYNUBRSBSSJU-UHFFFAOYSA-N	0	173.219	AD	1.514	0	Anodyne	ref	ADAARN	Nc1ccnn1Cc1ccccc1	 
CC(C)n1nccc1N	ZINC000000809977	94/17/78/342941778	AHRQLLLOCPXPCS-UHFFFAOYSA-N	0	125.175	AD	1.046	0	Anodyne	ref	ADAARN	CC(C)n1nccc1N	 
O=C(O)c1cc(-c2ccco2)on1	ZINC000000810968	35/60/35/169356035	MLWFYCMVBAIITM-UHFFFAOYSA-N	-1	179.131	AD	1.633	0	Anodyne	ref	ADAARM	O=C([O-])c1cc(-c2ccco2)on1	 
COCc1ccc(C(=O)O)o1	ZINC000000863718	19/51/76/168195176	HUUCEXDTXVRYMK-UHFFFAOYSA-N	-1	156.137	AD	1.124	0	Anodyne	ref	ADAARM	COCc1ccc(C(=O)[O-])o1	 
O=Cc1c(Cl)nc2sccn12	ZINC000000947108	28/33/55/351283355	ZUBBEEJDPFMKHA-UHFFFAOYSA-N	0	186.623	AD	1.862	0	Anodyne	ref	ADAARN	O=Cc1c(Cl)nc2sccn12	 
Cn1nc(C(F)(F)F)cc1C(=O)O	ZINC000001042939	06/22/51/169062251	AQUQLOWJSBFHBD-UHFFFAOYSA-N	-1	194.112	AD	1.137	0	Anodyne	ref	ADAARM	Cn1nc(C(F)(F)F)cc1C(=O)[O-]	 
Nc1nc(Cl)cc(Cl)n1	ZINC000001081248	30/55/52/169305552	JPZOAVGMSDSWSW-UHFFFAOYSA-N	0	163.995	AD	1.366	0	Anodyne	ref	ADAARN	Nc1nc(Cl)cc(Cl)n1	 
Nc1ccc(N)c(C(F)(F)F)c1	ZINC000001233396	94/35/62/342943562	ZQQOGBKIFPCFMJ-UHFFFAOYSA-N	0	176.141	AD	1.87	0	Anodyne	ref	ADAARN	Nc1ccc(N)c(C(F)(F)F)c1	 
COc1ccnc(Cl)c1C#N	ZINC000001381998	27/94/38/168279438	MOKUXMQJIYHZCA-UHFFFAOYSA-N	0	168.583	AD	1.615	0	Mild	ref	ADEARN	COc1ccnc(Cl)c1C#N	 
O=C(O)c1cn[nH]c1C(F)(F)F	ZINC000001384589	35/95/84/169359584	VHKMTORCXXPIFI-UHFFFAOYSA-N	-1	180.085	AD	1.127	0	Anodyne	ref	ADAARM	O=C([O-])c1c[nH]nc1C(F)(F)F	in-vitro
CNC(=O)c1cc(Cl)ccn1	ZINC000001389101	97/47/19/167974719	BGVBBMZMEKXUTR-UHFFFAOYSA-N	0	170.599	AD	1.095	0	Anodyne	ref	ADAARN	CNC(=O)c1cc(Cl)ccn1	in-vitro
Cc1ccc(N)c(S)c1	ZINC000001564425	94/79/23/342947923	VUMZNLOQJGKGNE-UHFFFAOYSA-N	0	139.223	AD	1.866	2	Anodyne	low	ADAALN	Cc1ccc(N)c(S)c1	 
Cc1ccc(N)c(S)c1	ZINC000001564425	94/79/22/342947922	VUMZNLOQJGKGNE-UHFFFAOYSA-N	-1	139.223	AD	1.866	0	Anodyne	ref	ADAARM	Cc1ccc(N)c([S-])c1	 
CC(=O)c1cccnc1	ZINC000001587582	33/14/57/166331457	WEGYGNROSJDEIW-UHFFFAOYSA-N	0	121.139	AD	1.284	0	Anodyne	ref	ADAARN	CC(=O)c1cccnc1	in-man endogenous
COC(=O)[C@@]12CC[C@@H](CC1=O)C2(C)C	ZINC000001631823	11/60/02/168116002	RVNZADBGUKKLTO-WRWORJQWSA-N	0	196.246	AD	1.555	0	Anodyne	ref	ADAARN	COC(=O)[C@@]12CC[C@@H](CC1=O)C2(C)C	 
C1CC[C@H](CCN2CCCC2)NC1	ZINC000001646599	09/47/14/166094714	JVSMUMJQZBRHHK-LLVKDONJSA-N	1	182.311	AD	1.614	3	Anodyne	high	ADAAHO	C1CC[C@H](CCN2CCCC2)[NH2+]C1	 
C1CC[C@H](CCN2CCCC2)NC1	ZINC000001646599	09/47/13/166094713	JVSMUMJQZBRHHK-LLVKDONJSA-N	2	182.311	AD	1.614	0	Anodyne	ref	ADAARP	C1CC[C@H](CC[NH+]2CCCC2)[NH2+]C1	 
CN(C)CC[C@H]1CCCCN1	ZINC000001655612	95/44/60/342954460	VQWPLEFSACXKNE-SECBINFHSA-N	1	156.273	AD	1.08	1	Anodyne	mid	ADAAMO	CN(C)CC[C@H]1CCCC[NH2+]1	 
CN(C)CC[C@H]1CCCCN1	ZINC000001655612	95/44/58/342954458	VQWPLEFSACXKNE-SECBINFHSA-N	2	156.273	AD	1.08	0	Anodyne	ref	ADAARP	C[NH+](C)CC[C@H]1CCCC[NH2+]1	 
Nc1nc(Cl)nc2ccccc12	ZINC000001674118	30/55/91/169305591	YPNGRZOYTLZRBD-UHFFFAOYSA-N	0	179.61	AD	1.865	0	Anodyne	ref	ADAARN	Nc1nc(Cl)nc2ccccc12	 
O=C(O)c1cncc(Cl)c1	ZINC000001691706	36/03/57/169360357	XYLPLVUYPAPCML-UHFFFAOYSA-N	-1	157.556	AD	1.433	0	Anodyne	ref	ADAARM	O=C([O-])c1cncc(Cl)c1	 
Fc1cnc(Cl)nc1Cl	ZINC000001696262	08/95/38/169089538	WHPFEQUEHBULBW-UHFFFAOYSA-N	0	166.97	AD	1.922	0	Anodyne	ref	ADAARN	Fc1cnc(Cl)nc1Cl	in-vitro
O=Cc1ccc(O)c2ncccc12	ZINC000001711209	29/68/86/351296886	LIADJWREMDHKHQ-UHFFFAOYSA-N	0	173.171	AD	1.753	1	Anodyne	mid	ADAAMN	O=Cc1ccc(O)c2ncccc12	 
O=Cc1ccc(O)c2ncccc12	ZINC000001711209	29/68/78/351296878	LIADJWREMDHKHQ-UHFFFAOYSA-N	-1	173.171	AD	1.753	0	Anodyne	ref	ADAARM	O=Cc1ccc([O-])c2ncccc12	 
N#Cc1ccsc1C#N	ZINC000001734677	12/92/00/169129200	FDLABKBUOMBKLS-UHFFFAOYSA-N	0	134.163	AD	1.491	0	Mild	ref	ADEBRN	N#Cc1ccsc1C#N	 
N#Cc1cc2cccc3c2n(c1=O)CC3	ZINC000001741150	11/82/95/169118295	UNYZUOIXKHVRQP-UHFFFAOYSA-N	0	196.209	AD	1.429	0	Mild	ref	ADEARN	N#Cc1cc2cccc3c2n(c1=O)CC3	 
CN(C)Cc1ccc(N)cc1	ZINC000001743172	96/34/23/342963423	NNCCQALFJIMRKB-UHFFFAOYSA-N	1	150.225	AD	1.33	0	Clean	ref	ADCARO	C[NH+](C)Cc1ccc(N)cc1	 
C1CC[C@@H](CCN2CCCC2)NC1	ZINC000002048665	09/20/68/166092068	JVSMUMJQZBRHHK-NSHDSACASA-N	1	182.311	AD	1.614	3	Anodyne	high	ADAAHO	C1CC[C@@H](CCN2CCCC2)[NH2+]C1	 
C1CC[C@@H](CCN2CCCC2)NC1	ZINC000002048665	09/20/67/166092067	JVSMUMJQZBRHHK-NSHDSACASA-N	2	182.311	AD	1.614	0	Anodyne	ref	ADAARP	C1CC[C@@H](CC[NH+]2CCCC2)[NH2+]C1	 
Cn1ncc2cc(N)ccc21	ZINC000002513359	06/55/07/169065507	PYOFNPHTKBSXOM-UHFFFAOYSA-N	0	147.181	AD	1.155	0	Anodyne	ref	ADAARN	Cn1ncc2cc(N)ccc21	 
Nc1ccnc2c(F)cccc12	ZINC000002524456	53/54/58/527535458	PFULPFXDXVNQCQ-UHFFFAOYSA-N	0	162.167	AD	1.956	0	Anodyne	ref	ADAARN	Nc1ccnc2c(F)cccc12	 
CC(=O)c1cc(Cl)c(O)cc1O	ZINC000002529829	31/95/08/166319508	CVJQCEUAIVQCDK-UHFFFAOYSA-N	0	186.594	AD	1.954	2	Anodyne	low	ADAALN	CC(=O)c1cc(Cl)c(O)cc1O	 
CC(=O)c1cc(Cl)c(O)cc1O	ZINC000002529829	31/95/05/166319505	CVJQCEUAIVQCDK-UHFFFAOYSA-N	-1	186.594	AD	1.954	0	Anodyne	ref	ADAARM	CC(=O)c1cc(Cl)c([O-])cc1O	 
CNCc1cccc(F)c1	ZINC000002533929	01/89/42/168018942	ZXWCKKSSCIFVBT-UHFFFAOYSA-N	1	139.173	AD	1.545	0	Anodyne	ref	ADAARO	C[NH2+]Cc1cccc(F)c1	 
Cc1cc(C(F)(F)F)nn1C	ZINC000002540292	97/59/10/342975910	LGTRXZPAYGKNLP-UHFFFAOYSA-N	0	164.13	AD	1.747	0	Anodyne	ref	ADAARN	Cc1cc(C(F)(F)F)nn1C	 
CC(C)C(=O)CC#N	ZINC000002548145	00/69/30/171006930	VKZGTORDNRVMIN-UHFFFAOYSA-N	0	111.144	AD	1.125	0	Mild	ref	ADEARN	CC(C)C(=O)CC#N	 
Cc1nn(CCCN)c(C)c1Cl	ZINC000002549614	97/62/17/342976217	XPZXAEULIHCKCX-UHFFFAOYSA-N	1	187.674	AD	1.502	0	Anodyne	ref	ADAARO	Cc1nn(CCC[NH3+])c(C)c1Cl	 
Nc1ccc(O)cc1F	ZINC000002555149	29/30/08/169293008	MNPLTKHJEAFOCA-UHFFFAOYSA-N	0	127.118	AD	1.113	0	Anodyne	ref	ADAARN	Nc1ccc(O)cc1F	in-vitro
Nc1ccc2c(c1)OC(F)(F)O2	ZINC000002556425	29/47/81/169294781	CVYQRDKVWVBOFP-UHFFFAOYSA-N	0	173.118	AD	1.59	0	Anodyne	ref	ADAARN	Nc1ccc2c(c1)OC(F)(F)O2	 
CN(C)CC[C@@H]1CCCCN1	ZINC000002558599	97/64/94/342976494	VQWPLEFSACXKNE-VIFPVBQESA-N	1	156.273	AD	1.08	1	Anodyne	mid	ADAAMO	CN(C)CC[C@@H]1CCCC[NH2+]1	 
CN(C)CC[C@@H]1CCCCN1	ZINC000002558599	97/64/92/342976492	VQWPLEFSACXKNE-VIFPVBQESA-N	2	156.273	AD	1.08	0	Anodyne	ref	ADAARP	C[NH+](C)CC[C@@H]1CCCC[NH2+]1	 
Nc1nnc(CC2CCCC2)s1	ZINC000002597437	31/05/61/169310561	WELHTTQQQDXIDI-UHFFFAOYSA-N	0	183.28	AD	1.853	0	Anodyne	ref	ADAARN	Nc1nnc(CC2CCCC2)s1	 
CC(C)(C)c1cc(N)on1	ZINC000002633232	38/36/11/166383611	APHNQOGPYLTSFX-UHFFFAOYSA-N	0	140.186	AD	1.554	0	Anodyne	ref	ADAARN	CC(C)(C)c1cc(N)on1	 
O=C(O)c1ccoc1C(F)(F)F	ZINC000002666620	35/90/48/169359048	HYIKIZXFYAKIPK-UHFFFAOYSA-N	-1	180.081	AD	1.997	0	Anodyne	ref	ADAARM	O=C([O-])c1ccoc1C(F)(F)F	 
COc1ccc(CCCN)cc1OC	ZINC000002981238	24/85/32/168248532	WYYQSKUMIFPNFW-UHFFFAOYSA-N	1	195.262	AD	1.595	0	Anodyne	ref	ADAARO	COc1ccc(CCC[NH3+])cc1OC	 
Cc1cc(N)n(-c2ccc(F)cc2)n1	ZINC000003263808	76/71/64/168767164	TZLARBJWGJNNIP-UHFFFAOYSA-N	0	191.209	AD	1.902	0	Anodyne	ref	ADAARN	Cc1cc(N)n(-c2ccc(F)cc2)n1	 
Nc1cc(-c2cccs2)no1	ZINC000003603297	28/35/37/169283537	ZXTCNNQAVDHZHL-UHFFFAOYSA-N	0	166.205	AD	1.985	0	Anodyne	ref	ADAARN	Nc1cc(-c2cccs2)no1	 
COc1ccc(-c2cc(N)on2)cc1	ZINC000003704520	24/30/73/168243073	PHOQFLXRNUDPHQ-UHFFFAOYSA-N	0	190.202	AD	1.932	0	Anodyne	ref	ADAARN	COc1ccc(-c2cc(N)on2)cc1	 
N#Cc1ccc2[nH]cc([N+](=O)[O-])c2c1	ZINC000003866587	01/03/07/171010307	TWRQPJZIUVHJNV-UHFFFAOYSA-N	0	187.158	AD	1.948	0	Mild	ref	ADEBRN	N#Cc1ccc2[nH]cc([N+](=O)[O-])c2c1	 
COc1c(F)ccc(C#N)c1[N+](=O)[O-]	ZINC000003866588	22/48/91/168224891	VBAZEMZFBODSSC-UHFFFAOYSA-N	0	196.137	AD	1.614	0	Mild	ref	ADEARN	COc1c(F)ccc(C#N)c1[N+](=O)[O-]	 
COc1c(O)ccc(C#N)c1[N+](=O)[O-]	ZINC000003866592	22/80/46/168228046	HEMPYISMRTXHJH-UHFFFAOYSA-N	0	194.146	AD	1.181	1	Mild	mid	ADEBMN	COc1c(O)ccc(C#N)c1[N+](=O)[O-]	 
COc1c(O)ccc(C#N)c1[N+](=O)[O-]	ZINC000003866592	22/80/43/168228043	HEMPYISMRTXHJH-UHFFFAOYSA-N	-1	194.146	AD	1.181	0	Mild	ref	ADEBRM	COc1c([O-])ccc(C#N)c1[N+](=O)[O-]	 
Nc1cccc2c(=O)[nH]ccc12	ZINC000003871459	29/78/30/169297830	SVASVGVAQIVSEZ-UHFFFAOYSA-N	0	160.176	AD	1.11	0	Anodyne	ref	ADAARN	Nc1cccc2c(=O)[nH]ccc12	in-vivo
CCOc1ccc(N)c([N+](=O)[O-])c1	ZINC000003878823	32/27/92/351322792	ISFYBUAVOZFROB-UHFFFAOYSA-N	0	182.179	AD	1.576	0	Bother	ref	ADBARN	CCOc1ccc(N)c([N+](=O)[O-])c1	 
O=C1C[C@@H](C(=O)O)C2(CCCCC2)O1	ZINC000003881505	38/09/57/169380957	ZTXZIBLPLHQZAQ-ZETCQYMHSA-N	-1	198.218	AD	1.337	0	Anodyne	ref	ADAARM	O=C1C[C@@H](C(=O)[O-])C2(CCCCC2)O1	 
O=C1C[C@H](C(=O)O)C2(CCCCC2)O1	ZINC000003881506	38/24/46/169382446	ZTXZIBLPLHQZAQ-SSDOTTSWSA-N	-1	198.218	AD	1.337	0	Anodyne	ref	ADAARM	O=C1C[C@H](C(=O)[O-])C2(CCCCC2)O1	 
Cn1c(=O)c(C=O)cc2ccccc21	ZINC000003882760	03/00/75/169030075	AWJCCKYFFMSHCJ-UHFFFAOYSA-N	0	187.198	AD	1.351	0	Anodyne	ref	ADAARN	Cn1c(=O)c(C=O)cc2ccccc21	 
Cn1c(=O)c(CO)cc2ccccc21	ZINC000003882773	02/87/76/169028776	RZVICXIGFUNOSW-UHFFFAOYSA-N	0	189.214	AD	1.031	0	Anodyne	ref	ADAARN	Cn1c(=O)c(CO)cc2ccccc21	 
C=CCN1C(=O)c2ccccc2C1=O	ZINC000003898870	17/68/23/166176823	MHHGQWMCVNQHLG-UHFFFAOYSA-N	0	187.198	AD	1.469	0	Mild	ref	ADEARN	C=CCN1C(=O)c2ccccc2C1=O