O=C(OCc1ccccc1)[C@@H](O)c1ccccc1	ZINC000000000078	66/94/61/342669461	JFKWZVQEMSKSBU-AWEZNQCLSA-N	0	242.274	BE	2.463	0	Anodyne	ref	BEAARN	O=C(OCc1ccccc1)[C@@H](O)c1ccccc1	in-vitro
Cc1cc(C2CCCCC2)n(O)c(=O)c1	ZINC000000001145	66/93/88/342669388	SCKYRAXSEDYPSA-UHFFFAOYSA-N	0	207.273	BE	2.442	1	Anodyne	mid	BEAAMN	Cc1cc(C2CCCCC2)n(O)c(=O)c1	fda
Cc1cc(C2CCCCC2)n(O)c(=O)c1	ZINC000000001145	66/93/86/342669386	SCKYRAXSEDYPSA-UHFFFAOYSA-N	-1	207.273	BE	2.442	0	Anodyne	ref	BEAARM	Cc1cc(C2CCCCC2)n([O-])c(=O)c1	fda
COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1	ZINC000000001267	09/87/95/188098795	DUGOZIWVEXMGBE-QWHCGFSZSA-N	1	233.311	BE	2.085	0	Anodyne	ref	BEAARO	COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1	fda
CCOC(=O)C1(c2ccccc2)CCN(C)CC1	ZINC000000001681	19/13/50/170191350	XADCESSVHJOZHK-UHFFFAOYSA-N	0	247.338	BE	2.213	3	Anodyne	high	BEAAHN	CCOC(=O)C1(c2ccccc2)CCN(C)CC1	fda
CCOC(=O)C1(c2ccccc2)CCN(C)CC1	ZINC000000001681	19/13/48/170191348	XADCESSVHJOZHK-UHFFFAOYSA-N	1	247.338	BE	2.213	0	Anodyne	ref	BEAARO	CCOC(=O)C1(c2ccccc2)CC[NH+](C)CC1	fda
Nc1c2c(nc3ccccc13)CCC[C@@H]2O	ZINC000000003711	66/94/81/342669481	HLVVITIHAZBPKB-NSHDSACASA-N	0	214.268	BE	2.187	3	Anodyne	high	BEAAHN	Nc1c2c(nc3ccccc13)CCC[C@@H]2O	world
Nc1c2c(nc3ccccc13)CCC[C@@H]2O	ZINC000000003711	66/94/78/342669478	HLVVITIHAZBPKB-NSHDSACASA-N	1	214.268	BE	2.187	0	Anodyne	ref	BEAARO	Nc1c2c([nH+]c3ccccc13)CCC[C@@H]2O	world
O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1	ZINC000000005389	81/80/05/383818005	SHZKQBHERIJWAO-AATRIKPKSA-N	0	228.251	BE	2.029	2	Anodyne	low	BEAALN	O=C([O-])/C=C/c1ccc(Cn2cc[nH+]c2)cc1	investigational
O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1	ZINC000000005389	81/80/02/383818002	SHZKQBHERIJWAO-AATRIKPKSA-N	-1	228.251	BE	2.029	0	Anodyne	ref	BEAARM	O=C([O-])/C=C/c1ccc(Cn2ccnc2)cc1	investigational
NC1=NC[C@@H]2c3ccccc3Cc3ccccc3N12	ZINC000000006157	33/93/62/181339362	WHWZLSFABNNENI-OAHLLOKOSA-N	1	249.317	BE	2.467	0	Anodyne	ref	BEAARO	[NH2+]=C1NC[C@@H]2c3ccccc3Cc3ccccc3N12	fda
O=C(c1ccc2nccnc2c1)N1CCCCC1	ZINC000000006489	66/97/26/342669726	ANDGGVOPIJEHOF-UHFFFAOYSA-N	0	241.294	BE	2.256	0	Anodyne	ref	BEAARN	O=C(c1ccc2nccnc2c1)N1CCCCC1	investigational
C[C@@H](N)C1CCC(C(=O)Nc2ccncc2)CC1	ZINC000000006989	80/17/81/175801781	IYOZTVGMEWJPKR-VOMCLLRMSA-N	1	247.342	BE	2.174	0	Anodyne	ref	BEAARO	C[C@@H]([NH3+])C1CCC(C(=O)Nc2ccncc2)CC1	in-vitro
CC(C)c1ncc(Cc2ccccc2)[nH]c1=O	ZINC000000018551	87/32/02/343873202	CZUORGWXUVRUMV-UHFFFAOYSA-N	0	228.295	BE	2.484	0	Anodyne	ref	BEAARN	CC(C)c1ncc(Cc2ccccc2)[nH]c1=O	in-vitro
FC(F)(F)c1cccc(N2CCNCC2)c1	ZINC000000056464	31/26/38/132312638	KKIMDKMETPPURN-UHFFFAOYSA-N	0	230.233	BE	2.115	3	Anodyne	high	BEAAHN	FC(F)(F)c1cccc(N2CCNCC2)c1	investigational
FC(F)(F)c1cccc(N2CCNCC2)c1	ZINC000000056464	31/26/35/132312635	KKIMDKMETPPURN-UHFFFAOYSA-N	1	230.233	BE	2.115	0	Anodyne	ref	BEAARO	FC(F)(F)c1cccc(N2CC[NH2+]CC2)c1	investigational
O=C(O)COc1ccc(Cl)cc1Cl	ZINC000000057143	82/22/72/383822272	OVSKIKFHRZPJSS-UHFFFAOYSA-N	-1	221.039	BE	2.457	0	Anodyne	ref	BEAARM	O=C([O-])COc1ccc(Cl)cc1Cl	in-man endogenous
COc1ccc2[nH]cc(CCN(C)C)c2c1	ZINC000000057152	20/25/44/175202544	ZSTKHSQDNIGFLM-UHFFFAOYSA-N	1	218.3	BE	2.281	0	Anodyne	ref	BEAARO	COc1ccc2[nH]cc(CC[NH+](C)C)c2c1	in-man endogenous
O=C(Nc1ccccc1)Nc1cnns1	ZINC000000073715	37/60/98/182376098	HFCYZXMHUIHAQI-UHFFFAOYSA-N	-1	220.257	BE	2.182	3	Anodyne	high	BEAAHM	O=C([N-]c1cnns1)Nc1ccccc1	in-vitro
O=C(Nc1ccccc1)Nc1cnns1	ZINC000000073715	37/60/94/182376094	HFCYZXMHUIHAQI-UHFFFAOYSA-N	0	220.257	BE	2.182	0	Anodyne	ref	BEAARN	O=C(Nc1ccccc1)Nc1cnns1	in-vitro
Cc1cc(OCC(=O)O)cc(C)c1Cl	ZINC000000080503	21/03/33/178210333	IJOSXVVFEKXIGN-UHFFFAOYSA-N	-1	214.648	BE	2.42	0	Anodyne	ref	BEAARM	Cc1cc(OCC(=O)[O-])cc(C)c1Cl	in-vitro
NC(=O)c1sc(-c2ccsc2)cc1N	ZINC000000081904	31/43/18/181314318	BMUACLADCKCNKZ-UHFFFAOYSA-N	0	224.31	BE	2.158	0	Anodyne	ref	BEAARN	NC(=O)c1sc(-c2ccsc2)cc1N	in-vivo
Nc1c2c(nc3ccccc13)CCC[C@H]2O	ZINC000000087000	67/37/59/342673759	HLVVITIHAZBPKB-LLVKDONJSA-N	0	214.268	BE	2.187	3	Anodyne	high	BEAAHN	Nc1c2c(nc3ccccc13)CCC[C@H]2O	world
Nc1c2c(nc3ccccc13)CCC[C@H]2O	ZINC000000087000	67/37/58/342673758	HLVVITIHAZBPKB-LLVKDONJSA-N	1	214.268	BE	2.187	0	Anodyne	ref	BEAARO	Nc1c2c([nH+]c3ccccc13)CCC[C@H]2O	world
c1ccc([C@H]2CN3CCSC3=N2)cc1	ZINC000000119839	83/11/80/383831180	HLFSDGLLUJUHTE-SNVBAGLBSA-N	1	204.298	BE	2.146	1	Anodyne	mid	BEAAMO	c1ccc([C@H]2CN3CCSC3=[NH+]2)cc1	world
c1ccc([C@H]2CN3CCSC3=N2)cc1	ZINC000000119839	83/11/75/383831175	HLFSDGLLUJUHTE-SNVBAGLBSA-N	0	204.298	BE	2.146	0	Anodyne	ref	BEAARN	c1ccc([C@H]2CN3CCSC3=N2)cc1	world
COc1ccc(C(=O)CBr)cc1	ZINC000000159091	17/74/62/560177462	XQJAHBHCLXUGEP-UHFFFAOYSA-N	0	229.073	BE	2.273	0	Reactive	ref	BEGARN	COc1ccc(C(=O)CBr)cc1	in-vitro
Cc1nc(-c2cccnc2)sc1C(=O)O	ZINC000000167841	83/94/36/383839436	CJLQNROYBZEUGH-UHFFFAOYSA-N	-1	220.253	BE	2.212	0	Anodyne	ref	BEAARM	Cc1nc(-c2cccnc2)sc1C(=O)[O-]	in-vitro
Cc1nc(-c2ccccn2)sc1C(=O)O	ZINC000000168268	83/85/19/383838519	QFDHWPOPCNNAOI-UHFFFAOYSA-N	-1	220.253	BE	2.212	0	Anodyne	ref	BEAARM	Cc1nc(-c2ccccn2)sc1C(=O)[O-]	in-vitro
Clc1cccc(N2CCNCC2)c1Cl	ZINC000000386729	31/35/41/132313541	UDQMXYJSNNCRAS-UHFFFAOYSA-N	0	231.126	BE	2.403	3	Anodyne	high	BEAAHN	Clc1cccc(N2CCNCC2)c1Cl	in-vitro
Clc1cccc(N2CCNCC2)c1Cl	ZINC000000386729	31/35/40/132313540	UDQMXYJSNNCRAS-UHFFFAOYSA-N	1	231.126	BE	2.403	0	Anodyne	ref	BEAARO	Clc1cccc(N2CC[NH2+]CC2)c1Cl	in-vitro
O=C(OCc1ccccc1)[C@H](O)c1ccccc1	ZINC000000396186	68/62/19/342686219	JFKWZVQEMSKSBU-CQSZACIVSA-N	0	242.274	BE	2.463	0	Anodyne	ref	BEAARN	O=C(OCc1ccccc1)[C@H](O)c1ccccc1	in-vitro
Clc1cccc(Cl)c1N=C1NCCN1	ZINC000000896484	69/44/13/342694413	GJSURZIOUXUGAL-UHFFFAOYSA-N	0	230.098	BE	2.174	3	Mild	high	BEEAHN	Clc1cccc(Cl)c1NC1=NCCN1	fda aggregator
Clc1cccc(Cl)c1N=C1NCCN1	ZINC000000896484	69/44/11/342694411	GJSURZIOUXUGAL-UHFFFAOYSA-N	0	230.098	BE	2.174	0	Mild	ref	BEEARN	Clc1cccc(Cl)c1NC1=[NH+]CCN1	fda aggregator
COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1	ZINC000000896709	69/43/89/342694389	DUGOZIWVEXMGBE-OLZOCXBDSA-N	1	233.311	BE	2.085	0	Anodyne	ref	BEAARO	COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[NH2+]1	fda
COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1	ZINC000000896711	24/48/30/187244830	DUGOZIWVEXMGBE-CHWSQXEVSA-N	1	233.311	BE	2.085	0	Anodyne	ref	BEAARO	COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1	fda
COc1ccc2c3c([nH]c2c1)[C@H](C)NCC3	ZINC000000898242	22/36/32/175223632	ZXLDQJLIBNPEFJ-QMMMGPOBSA-N	1	216.284	BE	2.383	0	Anodyne	ref	BEAARO	COc1ccc2c3c([nH]c2c1)[C@H](C)[NH2+]CC3	in-vitro
C=C[C@H](OC(C)=O)c1ccc(OC(C)=O)cc1	ZINC000000899803	90/09/96/355900996	JAMQIUWGGBSIKZ-ZDUSSCGKSA-N	0	234.251	BE	2.402	0	Mild	ref	BEEARN	C=C[C@H](OC(C)=O)c1ccc(OC(C)=O)cc1	in-man endogenous
Cc1nc(-c2ccncc2)sc1C(=O)O	ZINC000001397284	87/02/75/179870275	WAIPVXWDQQHMQG-UHFFFAOYSA-N	-1	220.253	BE	2.212	0	Anodyne	ref	BEAARM	Cc1nc(-c2ccncc2)sc1C(=O)[O-]	in-vitro
Cc1nc(C#Cc2cccnc2)cs1	ZINC000001489321	36/42/50/187364250	NRBNGHCYDWUVLC-UHFFFAOYSA-N	0	200.266	BE	2.246	0	Mild	ref	BEEARN	Cc1nc(C#Cc2cccnc2)cs1	investigational
O=C(O)CCCC[C@H](S)CCS	ZINC000001529363	43/81/25/182438125	IZFHEQBZOYJLPK-ZETCQYMHSA-N	-1	208.348	BE	2.25	0	Mild	ref	BEEARM	O=C([O-])CCCC[C@H](S)CCS	in-man endogenous
CCC(=O)N(c1ccccc1)C1CCNCC1	ZINC000001574929	21/41/58/168214158	PMCBDBWCQQBSRJ-UHFFFAOYSA-N	1	232.327	BE	2.182	0	Anodyne	ref	BEAARO	CCC(=O)N(c1ccccc1)C1CC[NH2+]CC1	world
NC1=NN(c2cccc(C(F)(F)F)c2)CC1	ZINC000001845036	33/95/99/181339599	CPXGGWXJNQSFEP-UHFFFAOYSA-N	0	229.205	BE	2.188	3	Anodyne	high	BEAAHN	NC1=NN(c2cccc(C(F)(F)F)c2)CC1	in-vivo
NC1=NN(c2cccc(C(F)(F)F)c2)CC1	ZINC000001845036	33/95/97/181339597	CPXGGWXJNQSFEP-UHFFFAOYSA-N	1	229.205	BE	2.188	0	Anodyne	ref	BEAARO	NC1=[NH+]N(c2cccc(C(F)(F)F)c2)CC1	in-vivo
CCc1cc(OC)c(C[C@@H](C)N)cc1OC	ZINC000001850396	15/04/83/362150483	HXJKWPGVENNMCC-SECBINFHSA-N	1	223.316	BE	2.156	0	Anodyne	ref	BEABRO	CCc1cc(OC)c(C[C@@H](C)[NH3+])cc1OC	in-man
CCc1cc(OC)c(C[C@H](C)N)cc1OC	ZINC000001850397	14/98/73/362149873	HXJKWPGVENNMCC-VIFPVBQESA-N	1	223.316	BE	2.156	0	Anodyne	ref	BEABRO	CCc1cc(OC)c(C[C@H](C)[NH3+])cc1OC	in-man
CCN(C)CC(=O)Nc1c(C)cccc1C	ZINC000001854720	97/79/83/358977983	OTLWVFWFTXURLI-UHFFFAOYSA-N	0	220.316	BE	2.194	1	Anodyne	mid	BEAAMN	CCN(C)CC(=O)Nc1c(C)cccc1C	in-vitro
CCN(C)CC(=O)Nc1c(C)cccc1C	ZINC000001854720	97/79/80/358977980	OTLWVFWFTXURLI-UHFFFAOYSA-N	1	220.316	BE	2.194	1	Anodyne	mid	BEAAMO	CC[N@@H+](C)CC(=O)Nc1c(C)cccc1C	in-vitro
CCN(C)CC(=O)Nc1c(C)cccc1C	ZINC000001854720	97/79/75/358977975	OTLWVFWFTXURLI-UHFFFAOYSA-N	1	220.316	BE	2.194	0	Anodyne	ref	BEAARO	CC[N@H+](C)CC(=O)Nc1c(C)cccc1C	in-vitro
NC1=NC[C@H]2c3ccccc3Cc3ccccc3N12	ZINC000001999487	33/95/73/181339573	WHWZLSFABNNENI-HNNXBMFYSA-N	1	249.317	BE	2.467	0	Anodyne	ref	BEAARO	[NH2+]=C1NC[C@H]2c3ccccc3Cc3ccccc3N12	fda
COc1ccc2[nH]cc(C[C@H](C)N)c2c1	ZINC000002009554	20/28/87/175202887	OGNJZVNNKBZFRM-QMMMGPOBSA-N	1	204.273	BE	2.066	0	Anodyne	ref	BEAARO	COc1ccc2[nH]cc(C[C@H](C)[NH3+])c2c1	in-vivo
COc1ccc2[nH]cc(C[C@@H](C)N)c2c1	ZINC000002009555	20/29/69/175202969	OGNJZVNNKBZFRM-MRVPVSSYSA-N	1	204.273	BE	2.066	0	Anodyne	ref	BEAARO	COc1ccc2[nH]cc(C[C@@H](C)[NH3+])c2c1	in-vivo
COc1ccc2cc(CC(=O)O)ccc2c1	ZINC000002014886	22/44/15/175224415	PHJFLPMVEFKEPL-UHFFFAOYSA-N	-1	216.236	BE	2.476	0	Anodyne	ref	BEAARM	COc1ccc2cc(CC(=O)[O-])ccc2c1	in-vitro
COc1ccc2c3c([nH]c2c1)[C@@H](C)NCC3	ZINC000002112084	22/35/70/175223570	ZXLDQJLIBNPEFJ-MRVPVSSYSA-N	1	216.284	BE	2.383	0	Anodyne	ref	BEAARO	COc1ccc2c3c([nH]c2c1)[C@@H](C)[NH2+]CC3	in-vitro
C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)O[C@@]13CC=C(C)[C@H]23	ZINC000002114142	81/23/79/385812379	UVJYAKBJSGRTHA-CUZKYEQNSA-N	0	246.306	BE	2.372	0	Mild	ref	BEEARN	C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)O[C@@]13CC=C(C)[C@H]23	in-vitro biogenic
CCCCC(=O)Oc1ccccc1C(=O)O	ZINC000002390211	63/02/68/168630268	WJHZBTMHUNVIKC-UHFFFAOYSA-N	-1	222.24	BE	2.48	0	Anodyne	ref	BEAARM	CCCCC(=O)Oc1ccccc1C(=O)[O-]	in-vitro
CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1	ZINC000002509756	49/29/38/172492938	UWJUQVWARXYRCG-HIFRSBDPSA-N	1	249.354	BE	2.332	0	Anodyne	ref	BEAARO	C[NH+](C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1	world
CCSc1cc(OC)c(CCN)cc1OC	ZINC000002513912	56/70/96/371567096	HCWQGDLBIKOJPM-UHFFFAOYSA-N	1	241.356	BE	2.317	0	Anodyne	ref	BEABRO	CCSc1cc(OC)c(CC[NH3+])cc1OC	in-vitro
c1ccc2c(N3CCNCC3)cccc2c1	ZINC000002516045	31/48/05/132314805	VNICFCQJUVFULD-UHFFFAOYSA-N	0	212.296	BE	2.249	3	Anodyne	high	BEAAHN	c1ccc2c(N3CCNCC3)cccc2c1	in-vivo
c1ccc2c(N3CCNCC3)cccc2c1	ZINC000002516045	31/48/02/132314802	VNICFCQJUVFULD-UHFFFAOYSA-N	0	212.296	BE	2.249	0	Anodyne	ref	BEAARN	c1ccc2c(N3CC[NH2+]CC3)cccc2c1	in-vivo
COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1	ZINC000002522648	72/24/57/342722457	DUGOZIWVEXMGBE-STQMWFEESA-N	1	233.311	BE	2.085	0	Anodyne	ref	BEAARO	COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1	fda
CC(=O)Oc1cccc2[nH]cc(CCN(C)C)c12	ZINC000002539028	97/33/76/383973376	RTLRUOSYLFOFHV-UHFFFAOYSA-N	1	246.31	BE	2.197	0	Anodyne	ref	BEAARO	CC(=O)Oc1cccc2[nH]cc(CC[NH+](C)C)c12	in-vitro
COc1cccc2[nH]cc(CCN(C)C)c12	ZINC000002539057	29/74/87/175297487	HFYHBTWTJDAYGW-UHFFFAOYSA-N	1	218.3	BE	2.281	0	Anodyne	ref	BEABRO	COc1cccc2[nH]cc(CC[NH+](C)C)c12	in-vitro
CCOP(=O)(OCC)[C@@]1(C)CCC=[N+]1[O-]	ZINC000002572486	97/92/56/383979256	OKCDBZSDRSXFIB-VIFPVBQESA-N	1	235.22	BE	2.344	0	Anodyne	ref	BEAARO	CCOP(=O)(OCC)[C@@]1(C)CCC[N+]1=O	in-vitro
O=C(NC1CC1)c1cc(-c2cccs2)on1	ZINC000002803051	09/93/39/182099339	SYENTKHGMVKGAQ-UHFFFAOYSA-N	0	234.28	BE	2.295	0	Anodyne	ref	BEAARN	O=C(NC1CC1)c1cc(-c2cccs2)on1	in-vitro
N#C/C(=C\c1ccc(Cl)cc1)C(=O)O	ZINC000003246533	94/28/97/269942897	MXCRRKYUQNHWLJ-VMPITWQZSA-N	-1	207.616	BE	2.332	0	Reactive	ref	BEGARM	N#C/C(=C\c1ccc(Cl)cc1)C(=O)[O-]	in-vitro
C[C@@H](C(=O)c1ccccc1)N1CCCC1	ZINC000003623273	73/52/67/342735267	KPUJAQRFIJAORQ-NSHDSACASA-N	0	203.285	BE	2.354	1	Anodyne	mid	BEAAMN	C[C@@H](C(=O)c1ccccc1)N1CCCC1	in-vitro
C[C@@H](C(=O)c1ccccc1)N1CCCC1	ZINC000003623273	73/52/65/342735265	KPUJAQRFIJAORQ-NSHDSACASA-N	1	203.285	BE	2.354	0	Anodyne	ref	BEAARO	C[C@@H](C(=O)c1ccccc1)[NH+]1CCCC1	in-vitro
C[C@H](C(=O)c1ccccc1)N1CCCC1	ZINC000003623274	58/93/39/176589339	KPUJAQRFIJAORQ-LLVKDONJSA-N	0	203.285	BE	2.354	1	Anodyne	mid	BEAAMN	C[C@H](C(=O)c1ccccc1)N1CCCC1	in-vitro
C[C@H](C(=O)c1ccccc1)N1CCCC1	ZINC000003623274	58/93/36/176589336	KPUJAQRFIJAORQ-LLVKDONJSA-N	1	203.285	BE	2.354	0	Anodyne	ref	BEAARO	C[C@H](C(=O)c1ccccc1)[NH+]1CCCC1	in-vitro
C[C@H](N)Cc1ccc(Br)cc1	ZINC000003631131	73/51/99/342735199	SMNXUMMCCOZPPN-ZETCQYMHSA-N	1	214.106	BE	2.339	0	Anodyne	ref	BEABRO	C[C@H]([NH3+])Cc1ccc(Br)cc1	in-vivo
C[C@@H](N)Cc1ccc(Br)cc1	ZINC000003631133	02/07/44/384020744	SMNXUMMCCOZPPN-SSDOTTSWSA-N	1	214.106	BE	2.339	0	Anodyne	ref	BEABRO	C[C@@H]([NH3+])Cc1ccc(Br)cc1	in-vivo
O=C(O)CCCC[C@@H](S)CCS	ZINC000003869601	03/18/77/384031877	IZFHEQBZOYJLPK-SSDOTTSWSA-N	-1	208.348	BE	2.25	0	Mild	ref	BEEARM	O=C([O-])CCCC[C@@H](S)CCS	in-man endogenous
O=[N+]([O-])c1cccc2c(Br)n[nH]c12	ZINC000003870920	38/91/86/351389186	NFSTZPMYAZRZPC-UHFFFAOYSA-N	0	242.032	BE	2.234	0	Bother	ref	BEBARN	O=[N+]([O-])c1cccc2c(Br)n[nH]c12	in-vivo
Cn1c2cccc(=O)c-2nc2ccccc21	ZINC000003873998	22/29/33/358222933	YNCMLFHHXWETLD-UHFFFAOYSA-N	0	210.236	BE	2.038	0	Bother	ref	BEBARN	Cn1c2cccc(=O)c-2nc2ccccc21	in-vitro
O=C(/C=C/c1cccnc1)c1ccncc1	ZINC000003997313	03/72/30/384037230	UOWGYMNWMDNSTL-ONEGZZNKSA-N	0	210.236	BE	2.373	0	Mild	ref	BEEARN	O=C(/C=C/c1cccnc1)c1ccncc1	in-vivo
CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O	ZINC000004492883	06/39/28/384063928	ZNJFBWYDHIGLCU-HWKXXFMVSA-N	-1	210.273	BE	2.413	0	Anodyne	ref	BEAARM	CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)[O-]	in-man endogenous
CC/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)O	ZINC000004492884	07/74/80/398077480	ZNJFBWYDHIGLCU-QKMQQOOLSA-N	-1	210.273	BE	2.413	0	Anodyne	ref	BEAARM	CC/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)[O-]	in-vitro
CCCc1oc(CCC(=O)O)c(C(=O)O)c1C	ZINC000005844289	60/77/78/169607778	WMCQWXZMVIETAO-UHFFFAOYSA-N	-2	240.255	BE	2.256	0	Anodyne	ref	BEAARL	CCCc1oc(CCC(=O)[O-])c(C(=O)[O-])c1C	in-man
CCOP(=O)(OCC)[C@]1(C)CCC=[N+]1[O-]	ZINC000005859961	13/56/19/384135619	OKCDBZSDRSXFIB-SECBINFHSA-N	1	235.22	BE	2.344	0	Anodyne	ref	BEAARO	CCOP(=O)(OCC)[C@]1(C)CCC[N+]1=O	in-vitro
CC[C@@H](C)OC(=O)N1CCCC[C@@H]1CCO	ZINC000005922357	77/14/65/342771465	QLHULAHOXSSASE-GHMZBOCLSA-N	0	229.32	BE	2.158	0	Anodyne	ref	BEAARN	CC[C@@H](C)OC(=O)N1CCCC[C@@H]1CCO	in-man
CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCO	ZINC000005922359	77/16/54/342771654	QLHULAHOXSSASE-MNOVXSKESA-N	0	229.32	BE	2.158	0	Anodyne	ref	BEAARN	CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCO	in-man
CC[C@H](C)OC(=O)N1CCCC[C@@H]1CCO	ZINC000005925029	35/15/18/171351518	QLHULAHOXSSASE-WDEREUQCSA-N	0	229.32	BE	2.158	0	Anodyne	ref	BEAARN	CC[C@H](C)OC(=O)N1CCCC[C@@H]1CCO	in-man
CC[C@H](C)OC(=O)N1CCCC[C@H]1CCO	ZINC000005925031	35/14/36/171351436	QLHULAHOXSSASE-QWRGUYRKSA-N	0	229.32	BE	2.158	0	Anodyne	ref	BEAARN	CC[C@H](C)OC(=O)N1CCCC[C@H]1CCO	in-man
COc1cccc2c1nc1ccccc1[n+]2C	ZINC000006068493	30/67/30/175306730	NIKBRKQHDZFDIQ-UHFFFAOYSA-N	1	225.271	BE	2.221	0	Bother	ref	BEBARO	COc1cccc2c1nc1ccccc1[n+]2C	in-vitro
C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)O[C@@]13CC=C(C)[C@@H]23	ZINC000006634471	54/26/20/360542620	UVJYAKBJSGRTHA-ZCRGAIPPSA-N	0	246.306	BE	2.372	0	Mild	ref	BEEARN	C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)O[C@@]13CC=C(C)[C@@H]23	in-vitro
N/C(=N\O)c1ccc(-c2ccccc2)cc1	ZINC000008381639	18/17/74/181181774	WVKAHHBQPICMQP-UHFFFAOYSA-N	0	212.252	BE	2.448	0	Mild	ref	BEEARN	N/C(=N\O)c1ccc(-c2ccccc2)cc1	in-vitro
C[C@H](/C=N/O)Cc1ccc2c(c1)OCO2	ZINC000013147413	01/60/37/371016037	ISLHQWBNLXYVQG-UGZWPXFQSA-N	0	207.229	BE	2.054	0	Mild	ref	BEEARN	C[C@H](/C=N/O)Cc1ccc2c(c1)OCO2	in-vitro
C[C@@H](/C=N/O)Cc1ccc2c(c1)OCO2	ZINC000013147414	01/68/01/371016801	ISLHQWBNLXYVQG-OPYOOOJUSA-N	0	207.229	BE	2.054	0	Mild	ref	BEEARN	C[C@@H](/C=N/O)Cc1ccc2c(c1)OCO2	in-vitro
CCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1	ZINC000013642621	27/90/35/170279035	AIVSIRYZIBXTMM-ZIAGYGMSSA-N	1	247.338	BE	2.475	0	Anodyne	ref	BEAARO	CCOC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1	in-vitro
CCOC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1	ZINC000013642623	25/60/54/170256054	AIVSIRYZIBXTMM-KBPBESRZSA-N	1	247.338	BE	2.475	0	Anodyne	ref	BEAARO	CCOC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1	in-vitro
CCOC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1	ZINC000013642625	27/91/49/170279149	AIVSIRYZIBXTMM-UONOGXRCSA-N	1	247.338	BE	2.475	0	Anodyne	ref	BEAARO	CCOC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1	in-vitro
CCOC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1	ZINC000013642627	25/61/66/170256166	AIVSIRYZIBXTMM-KGLIPLIRSA-N	1	247.338	BE	2.475	0	Anodyne	ref	BEAARO	CCOC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[NH2+]1	in-vitro
CCCN[C@@H](C)Cc1ccc2c(c1)OCO2	ZINC000013673729	27/51/15/169275115	LBXMQBTXOLBCCA-JTQLQIEISA-N	1	221.3	BE	2.346	0	Anodyne	ref	BEABRO	CCC[NH2+][C@@H](C)Cc1ccc2c(c1)OCO2	in-vitro
CCCN[C@H](C)Cc1ccc2c(c1)OCO2	ZINC000013673730	28/58/96/169285896	LBXMQBTXOLBCCA-SNVBAGLBSA-N	1	221.3	BE	2.346	0	Anodyne	ref	BEABRO	CCC[NH2+][C@H](C)Cc1ccc2c(c1)OCO2	in-vitro
COc1cc(C(F)(F)F)c(OC)cc1CCN	ZINC000013739909	64/38/79/343643879	LYXGNMLWYONZID-UHFFFAOYSA-N	1	249.232	BE	2.224	0	Anodyne	ref	BEABRO	COc1cc(C(F)(F)F)c(OC)cc1CC[NH3+]	in-vitro
C[C@@H](N/C(=N/C#N)Nc1ccncc1)C(C)(C)C	ZINC000013783495	82/19/47/175821947	IVVNZDGDKPTYHK-SNVBAGLBSA-N	0	245.33	BE	2.355	0	Mild	ref	BEEARN	C[C@@H](N=C(NC#N)Nc1ccncc1)C(C)(C)C	world
O=C1Nc2c(ccc(Cl)c2Cl)/C1=N\O	ZINC000013829418	82/25/25/182822525	CVOUSAVHMDXCKG-UHFFFAOYSA-N	-1	231.038	BE	2.124	0	Mild	ref	BEEARM	O=C1Nc2c(ccc(Cl)c2Cl)/C1=N\[O-]	in-vitro
CN[C@@H](C)C(=O)c1cccc(Br)c1	ZINC000013985172	38/02/12/384380212	PXLYROINIXKFAW-ZETCQYMHSA-N	0	242.116	BE	2.24	1	Anodyne	mid	BEABMN	CN[C@@H](C)C(=O)c1cccc(Br)c1	in-vitro
CN[C@@H](C)C(=O)c1cccc(Br)c1	ZINC000013985172	38/01/96/384380196	PXLYROINIXKFAW-ZETCQYMHSA-N	1	242.116	BE	2.24	0	Anodyne	ref	BEABRO	C[NH2+][C@@H](C)C(=O)c1cccc(Br)c1	in-vitro