O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21	ZINC000000001785	50/78/02/371507802	FTVWIRXFELQLPI-CYBMUJFWSA-N	-1	272.256	CF	2.51	1	Anodyne	mid	CFAAMM	O=C1C[C@H](c2ccc(O)cc2)Oc2cc([O-])cc(O)c21	in-vitro biogenic
O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21	ZINC000000001785	50/77/98/371507798	FTVWIRXFELQLPI-CYBMUJFWSA-N	0	272.256	CF	2.51	0	Anodyne	ref	CFAARN	O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21	in-vitro biogenic
Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1	ZINC000000004778	28/38/41/302283841	NQDJXKOVJZTUJA-UHFFFAOYSA-N	0	266.304	CF	2.651	0	Anodyne	ref	CFAARN	Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1	fda
Cc1ccc(S(=O)(=O)n2c(C=O)cc3ccccc32)cc1	ZINC000000005653	50/50/94/169505094	HLEBZLRXCJWYNE-UHFFFAOYSA-N	0	299.351	CF	2.999	0	Anodyne	ref	CFAARN	Cc1ccc(S(=O)(=O)n2c(C=O)cc3ccccc32)cc1	 
CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000000009073	50/76/03/371507603	VMWNQDUVQKEIOC-CYBMUJFWSA-N	0	267.328	CF	2.85	1	Clean	mid	CFCAMN	CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3	fda biogenic
CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000000009073	50/76/00/371507600	VMWNQDUVQKEIOC-CYBMUJFWSA-N	1	267.328	CF	2.85	1	Clean	mid	CFCAMO	C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3	fda biogenic
CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000000009073	50/75/95/371507595	VMWNQDUVQKEIOC-CYBMUJFWSA-N	1	267.328	CF	2.85	0	Clean	ref	CFCARO	C[N@@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3	fda biogenic
CC(C)NC[C@@H](O)COc1cccc2ccccc12	ZINC000000020240	50/96/89/371509689	AQHHHDLHHXJYJD-CQSZACIVSA-N	1	259.349	CF	2.578	0	Anodyne	ref	CFAARO	CC(C)[NH2+]C[C@@H](O)COc1cccc2ccccc12	fda
N[C@H](CC(=O)O)c1ccc(OCc2ccccc2)cc1	ZINC000000031181	50/98/39/169509839	VODMAXQPPKRFPS-OAHLLOKOSA-N	0	271.316	CF	2.74	0	Anodyne	ref	CFAARN	[NH3+][C@H](CC(=O)[O-])c1ccc(OCc2ccccc2)cc1	 
COC(=O)c1ccccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000000031301	51/08/61/371510861	AOKPPMQMPLOYHC-UHFFFAOYSA-N	0	287.271	CF	2.96	0	Bother	ref	CFBARN	COC(=O)c1ccccc1OCc1ccc([N+](=O)[O-])cc1	 
O=C(NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000000031318	50/95/95/169509595	NPTZNBFQWMQHKP-UHFFFAOYSA-N	0	270.288	CF	2.567	0	Bother	ref	CFBARN	O=C(NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1	 
N#CCc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1	ZINC000000037328	51/41/65/371514165	YKIVDYMGYONXET-UHFFFAOYSA-N	0	280.283	CF	2.734	0	Mild	ref	CFEARN	N#CCc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1	 
CCOc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1	ZINC000000038189	51/34/73/371513473	CJWZEJBAZIUQNX-UHFFFAOYSA-N	0	268.32	CF	2.71	0	Anodyne	ref	CFAARN	CCOc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1	 
O=C(N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1	ZINC000000038519	51/35/44/169513544	RRONHWAVOYADJL-HNNXBMFYSA-N	-1	299.326	CF	2.609	0	Anodyne	ref	CFAARM	O=C(N[C@@H](Cc1ccccc1)C(=O)[O-])OCc1ccccc1	in-vitro biogenic
O=C(NCc1ccccc1)c1ccccc1[N+](=O)[O-]	ZINC000000038750	51/42/89/371514289	MMWHBIQCFGNKCY-UHFFFAOYSA-N	0	256.261	CF	2.525	0	Bother	ref	CFBARN	O=C(NCc1ccccc1)c1ccccc1[N+](=O)[O-]	 
COc1ccc(Br)cc1/C=C/C(=O)O	ZINC000000039107	51/42/44/371514244	QABZTGNRWBRJBO-GORDUTHDSA-N	-1	257.083	CF	2.556	0	Anodyne	ref	CFAARM	COc1ccc(Br)cc1/C=C/C(=O)[O-]	in-vitro biogenic
C[C@H]1C[C@@H](C(F)(F)C(F)(F)F)n2nc(C(=O)O)cc2N1	ZINC000000039419	51/44/09/371514409	PLAYSRYCRLUCFT-NJGYIYPDSA-N	-1	299.199	CF	2.524	0	Anodyne	ref	CFAARM	C[C@H]1C[C@@H](C(F)(F)C(F)(F)F)n2nc(C(=O)[O-])cc2N1	 
C[C@@H]1C[C@@H](C(F)(F)C(F)(F)F)n2nc(C(=O)O)cc2N1	ZINC000000039420	21/93/42/297219342	PLAYSRYCRLUCFT-XINAWCOVSA-N	-1	299.199	CF	2.524	0	Anodyne	ref	CFAARM	C[C@@H]1C[C@@H](C(F)(F)C(F)(F)F)n2nc(C(=O)[O-])cc2N1	 
C[C@H]1C[C@H](C(F)(F)C(F)(F)F)n2nc(C(=O)O)cc2N1	ZINC000000039421	51/35/78/371513578	PLAYSRYCRLUCFT-UJURSFKZSA-N	-1	299.199	CF	2.524	0	Anodyne	ref	CFAARM	C[C@H]1C[C@H](C(F)(F)C(F)(F)F)n2nc(C(=O)[O-])cc2N1	 
C[C@@H]1C[C@H](C(F)(F)C(F)(F)F)n2nc(C(=O)O)cc2N1	ZINC000000039422	34/71/30/297347130	PLAYSRYCRLUCFT-INEUFUBQSA-N	-1	299.199	CF	2.524	0	Anodyne	ref	CFAARM	C[C@@H]1C[C@H](C(F)(F)C(F)(F)F)n2nc(C(=O)[O-])cc2N1	 
Nc1nnc(-c2ccc(Br)cc2)s1	ZINC000000039645	44/64/38/393446438	KNFZBJVESBZZMI-UHFFFAOYSA-N	0	256.128	CF	2.55	0	Anodyne	ref	CFAARN	Nc1nnc(-c2ccc(Br)cc2)s1	 
C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)O	ZINC000000042247	51/58/44/371515844	HWXAMSOIQRTWTO-VIFPVBQESA-N	-1	284.267	CF	2.798	0	Bother	ref	CFBARM	C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)[O-]	 
C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)O	ZINC000000042248	51/51/42/169515142	HWXAMSOIQRTWTO-SECBINFHSA-N	-1	284.267	CF	2.798	0	Bother	ref	CFBARM	C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)[O-]	 
CCc1ccccc1NCN1C(=O)c2ccccc2C1=O	ZINC000000043169	51/55/89/371515589	KYLVBZLISCEGMO-UHFFFAOYSA-N	0	280.327	CF	2.915	0	Anodyne	ref	CFAARN	CCc1ccccc1NCN1C(=O)c2ccccc2C1=O	 
O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCc2ccccc21	ZINC000000043830	10/73/11/304107311	HZTXZXRKICEPTA-UONOGXRCSA-N	-1	287.359	CF	2.857	0	Anodyne	ref	CFAARM	O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCc2ccccc21	 
O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCCc2ccccc21	ZINC000000043831	10/75/09/304107509	HZTXZXRKICEPTA-ZIAGYGMSSA-N	-1	287.359	CF	2.857	0	Anodyne	ref	CFAARM	O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCCc2ccccc21	 
O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCCc2ccccc21	ZINC000000043832	18/09/75/304180975	HZTXZXRKICEPTA-KBPBESRZSA-N	-1	287.359	CF	2.857	0	Anodyne	ref	CFAARM	O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCCc2ccccc21	 
O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCCc2ccccc21	ZINC000000043833	18/13/52/304181352	HZTXZXRKICEPTA-KGLIPLIRSA-N	-1	287.359	CF	2.857	0	Anodyne	ref	CFAARM	O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCCc2ccccc21	 
COC(=O)c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	ZINC000000043877	51/54/65/371515465	XZOCSYCWBDGLQV-UHFFFAOYSA-N	0	287.271	CF	2.96	0	Bother	ref	CFBARN	COC(=O)c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	 
O=C(O)/C=C/C(=O)Nc1ccc(Cl)cc1Cl	ZINC000000053885	51/84/56/371518456	WFWKZRKAECLVSE-ONEGZZNKSA-N	-1	260.076	CF	2.573	0	Anodyne	ref	CFAARM	O=C([O-])/C=C/C(=O)Nc1ccc(Cl)cc1Cl	 
Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	ZINC000000056254	51/89/69/371518969	TZEJXCIGVMTMDY-UHFFFAOYSA-N	-1	259.149	CF	2.581	1	Anodyne	mid	CFAAMM	Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1	 
Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	ZINC000000056254	51/89/60/371518960	TZEJXCIGVMTMDY-UHFFFAOYSA-N	0	259.149	CF	2.581	0	Anodyne	ref	CFAARN	Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	 
COC(=O)/C(=C/c1ccc(N)cc1)c1ccccc1	ZINC000000056378	51/81/90/371518190	HXCDCAZKPWZTMN-RVDMUPIBSA-N	0	253.301	CF	2.982	0	Anodyne	ref	CFAARN	COC(=O)/C(=C/c1ccc(N)cc1)c1ccccc1	 
CC(C)NC[C@H](O)COc1cccc2ccccc12	ZINC000000056556	51/82/11/371518211	AQHHHDLHHXJYJD-AWEZNQCLSA-N	1	259.349	CF	2.578	0	Anodyne	ref	CFAARO	CC(C)[NH2+]C[C@H](O)COc1cccc2ccccc12	fda biogenic
COc1c2occc2c(OC)c2c(=O)cc(C)oc12	ZINC000000056654	18/96/50/286189650	HSMPDPBYAYSOBC-UHFFFAOYSA-N	0	260.245	CF	2.865	0	Anodyne	ref	CFAARN	COc1c2occc2c(OC)c2c(=O)cc(C)oc12	world biogenic
COc1cc(C=O)ccc1OC(=O)OC(C)(C)C	ZINC000000056941	52/08/91/169520891	QHWDRZQSXVKLON-UHFFFAOYSA-N	0	252.266	CF	2.822	0	Anodyne	ref	CFAARN	COc1cc(C=O)ccc1OC(=O)OC(C)(C)C	 
O=Cc1cc(Br)c(O)c(Br)c1	ZINC000000057039	51/84/72/371518472	SXRHGLQCOLNZPT-UHFFFAOYSA-N	-1	279.915	CF	2.73	0	Anodyne	ref	CFAARM	O=Cc1cc(Br)c([O-])c(Br)c1	 
c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1	ZINC000000057204	52/08/25/169520825	REYFJDPCWQRWAA-UHFFFAOYSA-N	1	265.36	CF	2.695	0	Anodyne	ref	CFAARO	c1ccc(CN(CC2=[NH+]CCN2)c2ccccc2)cc1	world
COc1ccc(CC(=O)c2ccc(O)cc2O)cc1OC	ZINC000000058163	52/04/30/371520430	LRXMMYWDVBYTPO-UHFFFAOYSA-N	-1	288.299	CF	2.54	1	Anodyne	mid	CFAAMM	COc1ccc(CC(=O)c2ccc([O-])cc2O)cc1OC	 
COc1ccc(CC(=O)c2ccc(O)cc2O)cc1OC	ZINC000000058163	52/04/24/371520424	LRXMMYWDVBYTPO-UHFFFAOYSA-N	0	288.299	CF	2.54	0	Anodyne	ref	CFAARN	COc1ccc(CC(=O)c2ccc(O)cc2O)cc1OC	 
Cc1cccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)c1C	ZINC000000058936	44/60/42/393446042	OHGUIZGDCCILFX-UHFFFAOYSA-N	-1	295.294	CF	2.802	0	Anodyne	ref	CFAARM	Cc1cccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)c1C	 
CC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1	ZINC000000059859	52/20/17/169522017	IZYOEWPKMOPSSP-UHFFFAOYSA-N	0	265.268	CF	2.69	0	Anodyne	ref	CFAARN	CC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1	 
CCOC(=O)c1cc2cc(Br)ccc2oc1=O	ZINC000000062926	52/03/79/371520379	RXGDNKCWEKUYQA-UHFFFAOYSA-N	0	297.104	CF	2.732	0	Anodyne	ref	CFAARN	CCOC(=O)c1cc2cc(Br)ccc2oc1=O	in-vitro biogenic
CCOC(=O)c1c(NC(=O)CC#N)sc2c1CCCC2	ZINC000000064987	52/22/10/371522210	XSGAVIASOGNJDJ-UHFFFAOYSA-N	0	292.36	CF	2.656	0	Mild	ref	CFEARN	CCOC(=O)c1c(NC(=O)CC#N)sc2c1CCCC2	 
Cc1cc(N)n(-c2ccc(Br)cc2)n1	ZINC000000065243	44/62/17/393446217	RJJCTMOVFLIPEH-UHFFFAOYSA-N	0	252.115	CF	2.525	0	Anodyne	ref	CFAARN	Cc1cc(N)n(-c2ccc(Br)cc2)n1	 
CC(=O)c1cc2cc(Br)ccc2oc1=O	ZINC000000067467	50/21/78/275502178	XFQYOFLFNKCHLG-UHFFFAOYSA-N	0	267.078	CF	2.758	0	Anodyne	ref	CFAARN	CC(=O)c1cc2cc(Br)ccc2oc1=O	 
Cc1cc(C)nc(NC(=N)N2CCCc3ccccc32)n1	ZINC000000069457	52/15/36/371521536	WUZSHWPKXOJSKX-UHFFFAOYSA-N	1	281.363	CF	2.893	2	Anodyne	low	CFAALO	Cc1cc(C)nc(NC(=[NH2+])N2CCCc3ccccc32)n1	 
Cc1cc(C)nc(NC(=N)N2CCCc3ccccc32)n1	ZINC000000069457	52/15/23/371521523	WUZSHWPKXOJSKX-UHFFFAOYSA-N	1	281.363	CF	2.893	0	Anodyne	ref	CFAARO	Cc1cc(C)nc(NC(=N)N2CCCc3ccccc32)n1	 
CCOC(=O)c1c(NC(C)=O)sc2c1CCCC2	ZINC000000075267	44/60/96/393446096	MYGDFSFTVVUJHF-UHFFFAOYSA-N	0	267.35	CF	2.762	0	Anodyne	ref	CFAARN	CCOC(=O)c1c(NC(C)=O)sc2c1CCCC2	 
COc1cc(C=O)ccc1OCC(=O)Nc1ccccc1	ZINC000000078997	52/48/71/371524871	LTEGRVWVVFAPFC-UHFFFAOYSA-N	0	285.299	CF	2.525	0	Anodyne	ref	CFAARN	COc1cc(C=O)ccc1OCC(=O)Nc1ccccc1	 
O=C(O)[C@H]1CS[C@@H](c2ccc(Cl)cc2Cl)N1	ZINC000000086107	20/25/05/304202505	DYBHDSFTPGYWFY-BDAKNGLRSA-N	-1	278.16	CF	2.782	0	Anodyne	ref	CFAARM	O=C([O-])[C@H]1CS[C@@H](c2ccc(Cl)cc2Cl)N1	 
O=C(O)[C@H]1CS[C@H](c2ccc(Cl)cc2Cl)N1	ZINC000000086111	52/69/39/371526939	DYBHDSFTPGYWFY-RKDXNWHRSA-N	-1	278.16	CF	2.782	0	Anodyne	ref	CFAARM	O=C([O-])[C@H]1CS[C@H](c2ccc(Cl)cc2Cl)N1	 
O=C(CSc1nc2ccccc2[nH]1)Nc1cccc(O)c1	ZINC000000086814	53/15/55/169531555	ICESOAIKHIPWME-UHFFFAOYSA-N	0	299.355	CF	2.999	0	Anodyne	ref	CFAARN	O=C(CSc1nc2ccccc2[nH]1)Nc1cccc(O)c1	 
O=C(O)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1	ZINC000000087958	53/21/34/169532134	TWESYTWUFWEEIU-LBPRGKRZSA-N	-1	297.31	CF	2.916	0	Anodyne	ref	CFAARM	O=C([O-])[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1	 
O=C(O)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1	ZINC000000087961	53/20/60/169532060	TWESYTWUFWEEIU-GFCCVEGCSA-N	-1	297.31	CF	2.916	0	Anodyne	ref	CFAARM	O=C([O-])[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1	 
Nc1ncnc(Nc2ccc(Cl)c(Cl)c2)n1	ZINC000000089484	52/65/86/371526586	CCDBTJZGUUILTG-UHFFFAOYSA-N	0	256.096	CF	2.504	0	Anodyne	ref	CFAARN	Nc1ncnc(Nc2ccc(Cl)c(Cl)c2)n1	 
COC(=O)c1ccc(C2OCC(C)(C)CO2)cc1	ZINC000000090230	15/78/65/277157865	DSOROOVTTRZHBB-UHFFFAOYSA-N	0	250.294	CF	2.545	0	Anodyne	ref	CFAARN	COC(=O)c1ccc(C2OCC(C)(C)CO2)cc1	 
CCOc1ccc(NCN2C(=O)c3ccccc3C2=O)cc1	ZINC000000094081	52/88/42/371528842	UFTIHDWDIDPBGV-UHFFFAOYSA-N	0	296.326	CF	2.751	0	Anodyne	ref	CFAARN	CCOc1ccc(NCN2C(=O)c3ccccc3C2=O)cc1	 
Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)O)c(Cl)cc12	ZINC000000095630	53/45/33/169534533	UBJGTVXAFAIJDS-ZETCQYMHSA-N	-1	282.679	CF	2.607	0	Anodyne	ref	CFAARM	Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)[O-])c(Cl)cc12	 
Cc1cc(=O)oc2cc(O[C@H](C)C(=O)O)c(Cl)cc12	ZINC000000095634	52/95/21/371529521	UBJGTVXAFAIJDS-SSDOTTSWSA-N	-1	282.679	CF	2.607	0	Anodyne	ref	CFAARM	Cc1cc(=O)oc2cc(O[C@H](C)C(=O)[O-])c(Cl)cc12	 
CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000000103176	53/71/88/169537188	XTFRUWLCKHHIIN-UHFFFAOYSA-N	0	256.261	CF	2.871	0	Bother	ref	CFBARN	CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	 
O=c1[nH]c2ccccc2nc1Cc1ccccc1F	ZINC000000104718	53/13/21/371531321	UTQQSSIDOYGPCN-UHFFFAOYSA-N	0	254.264	CF	2.653	0	Anodyne	ref	CFAARN	O=c1[nH]c2ccccc2nc1Cc1ccccc1F	 
COc1ccc(-c2nc3ccccn3c2C=O)cc1	ZINC000000105278	53/15/07/371531507	XWVNZBQGMNSCDV-UHFFFAOYSA-N	0	252.273	CF	2.822	0	Anodyne	ref	CFAARN	COc1ccc(-c2nc3ccccn3c2C=O)cc1	 
O=C(O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2	ZINC000000107425	03/54/09/304035409	DJUDQBVINJIMFO-JZVMUCMXSA-N	-1	259.143	CF	2.805	0	Anodyne	ref	CFAARM	O=C([O-])C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2	 
COc1cccc(-n2cc(C(=O)O)c3ccccc3c2=O)c1	ZINC000000109860	53/30/66/371533066	PUKONLZIGMRMOR-UHFFFAOYSA-N	-1	295.294	CF	2.698	0	Anodyne	ref	CFAARM	COc1cccc(-n2cc(C(=O)[O-])c3ccccc3c2=O)c1	 
Cn1c(C[C@H](O)C(Cl)(Cl)Cl)nc2ccccc21	ZINC000000114763	53/35/41/371533541	CPMYYVNIXGXCGK-VIFPVBQESA-N	0	293.581	CF	2.847	0	Anodyne	ref	CFAARN	Cn1c(C[C@H](O)C(Cl)(Cl)Cl)nc2ccccc21	 
Cn1c(C[C@@H](O)C(Cl)(Cl)Cl)nc2ccccc21	ZINC000000114768	54/05/82/169540582	CPMYYVNIXGXCGK-SECBINFHSA-N	0	293.581	CF	2.847	0	Anodyne	ref	CFAARN	Cn1c(C[C@@H](O)C(Cl)(Cl)Cl)nc2ccccc21	 
Cc1c(OCC(=O)O)ccc2c1oc(=O)c1ccccc12	ZINC000000116741	53/42/20/371534220	WADNBVMGEJFFIZ-UHFFFAOYSA-N	-1	284.267	CF	2.718	0	Bother	ref	CFBARM	Cc1c(OCC(=O)[O-])ccc2c1oc(=O)c1ccccc12	 
CC(=O)Oc1ccc(-c2ccc(C(=O)O)cc2)cc1	ZINC000000117553	53/43/70/371534370	IHTQUKBUJJKNFQ-UHFFFAOYSA-N	-1	256.257	CF	2.977	0	Anodyne	ref	CFAARM	CC(=O)Oc1ccc(-c2ccc(C(=O)[O-])cc2)cc1	 
O=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000000122377	53/55/80/371535580	AXZLBQBZZLPIMB-UHFFFAOYSA-N	0	257.245	CF	2.986	0	Bother	ref	CFBARN	O=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1	 
COc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1	ZINC000000123858	53/57/89/371535789	BZKIIAKIAMJABI-UHFFFAOYSA-N	-1	271.272	CF	2.646	0	Anodyne	ref	CFAARM	COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1	 
O=C(O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000123863	24/79/92/304247992	NJLQPAFIERANQX-UHFFFAOYSA-N	-1	286.243	CF	2.545	0	Bother	ref	CFBARM	O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	 
Cc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1C	ZINC000000126632	62/43/59/301624359	ZXKKQWJCKYOQMO-UHFFFAOYSA-N	-1	295.294	CF	2.802	0	Anodyne	ref	CFAARM	Cc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1C	 
CCOc1ccccc1N1C(=O)C(Cl)=C(Cl)C1=O	ZINC000000131767	38/28/43/276382843	DSUWYIVXPBNPAQ-UHFFFAOYSA-N	0	286.114	CF	2.648	0	Anodyne	ref	CFAARN	CCOc1ccccc1N1C(=O)C(Cl)=C(Cl)C1=O	 
CCOC(=O)c1sc2ncn(CC(C)C)c(=O)c2c1C	ZINC000000132373	54/82/57/169548257	RACAXUBNAMIHIM-UHFFFAOYSA-N	0	294.376	CF	2.599	0	Anodyne	ref	CFAARN	CCOC(=O)c1sc2ncn(CC(C)C)c(=O)c2c1C	 
O=C(CSc1ccccc1C(=O)O)NC1CCCCC1	ZINC000000133749	53/84/87/371538487	RBEKVRXCSVGTIQ-UHFFFAOYSA-N	-1	293.388	CF	2.926	0	Anodyne	ref	CFAARM	O=C(CSc1ccccc1C(=O)[O-])NC1CCCCC1	 
COC(=O)c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1	ZINC000000133839	53/87/58/371538758	RYKLIYZZTRJJPU-UHFFFAOYSA-N	0	290.3	CF	2.928	0	Bother	ref	CFBARN	COC(=O)c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1	 
Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1	ZINC000000134044	53/82/60/371538260	GMOBYFRCKHKXDW-UHFFFAOYSA-N	-1	263.318	CF	2.501	3	Clean	high	CFCAHM	Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1	 
Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1	ZINC000000134044	53/82/50/371538250	GMOBYFRCKHKXDW-UHFFFAOYSA-N	0	263.318	CF	2.501	0	Clean	ref	CFCARN	Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1	 
CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)O)ccc12	ZINC000000134426	53/96/72/371539672	ROYPNRGGAUKENS-VIFPVBQESA-N	-1	276.288	CF	2.597	0	Anodyne	ref	CFAARM	CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)[O-])ccc12	 
CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)O)ccc12	ZINC000000134430	53/96/07/371539607	ROYPNRGGAUKENS-SECBINFHSA-N	-1	276.288	CF	2.597	0	Anodyne	ref	CFAARM	CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)[O-])ccc12	 
O=C(O)[C@H]1CS[C@@H](c2cccc3ccccc23)N1	ZINC000000138355	54/02/24/371540224	WSGHWUWDWJRTFR-OLZOCXBDSA-N	0	259.33	CF	2.628	2	Anodyne	low	CFAALN	O=C([O-])[C@H]1CS[C@@H](c2cccc3ccccc23)[NH2+]1	 
O=C(O)[C@H]1CS[C@@H](c2cccc3ccccc23)N1	ZINC000000138355	54/02/17/371540217	WSGHWUWDWJRTFR-OLZOCXBDSA-N	-1	259.33	CF	2.628	0	Anodyne	ref	CFAARM	O=C([O-])[C@H]1CS[C@@H](c2cccc3ccccc23)N1	 
O=C(O)[C@H]1CS[C@H](c2cccc3ccccc23)N1	ZINC000000138358	20/24/68/304202468	WSGHWUWDWJRTFR-CHWSQXEVSA-N	0	259.33	CF	2.628	2	Anodyne	low	CFAALN	O=C([O-])[C@H]1CS[C@H](c2cccc3ccccc23)[NH2+]1	 
O=C(O)[C@H]1CS[C@H](c2cccc3ccccc23)N1	ZINC000000138358	20/24/64/304202464	WSGHWUWDWJRTFR-CHWSQXEVSA-N	-1	259.33	CF	2.628	0	Anodyne	ref	CFAARM	O=C([O-])[C@H]1CS[C@H](c2cccc3ccccc23)N1	 
O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1ccnc1	ZINC000000139635	35/64/97/280356497	JSZWGVPOLFJCQQ-UHFFFAOYSA-N	1	257.171	CF	2.799	2	Bother	low	CFBALO	O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1cc[nH+]c1	 
O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1ccnc1	ZINC000000139635	35/64/94/280356494	JSZWGVPOLFJCQQ-UHFFFAOYSA-N	0	257.171	CF	2.799	0	Bother	ref	CFBARN	O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1ccnc1	 
COc1ccccc1CC(=O)c1ccc(O)cc1O	ZINC000000141044	54/15/70/371541570	MNDXXAUUVUMRBM-UHFFFAOYSA-N	-1	258.273	CF	2.532	1	Anodyne	mid	CFAAMM	COc1ccccc1CC(=O)c1ccc([O-])cc1O	 
COc1ccccc1CC(=O)c1ccc(O)cc1O	ZINC000000141044	54/15/62/371541562	MNDXXAUUVUMRBM-UHFFFAOYSA-N	0	258.273	CF	2.532	0	Anodyne	ref	CFAARN	COc1ccccc1CC(=O)c1ccc(O)cc1O	 
O=C(O)/C=C/C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000000141386	54/15/79/371541579	YMYKNYVBUCMJOG-ONEGZZNKSA-N	-1	260.076	CF	2.573	0	Anodyne	ref	CFAARM	O=C([O-])/C=C/C(=O)Nc1ccc(Cl)c(Cl)c1	 
CN(C)/C=C/C(=O)c1ccc(Br)cc1	ZINC000000142367	54/20/11/371542011	IGZLESKZUATMSD-BQYQJAHWSA-N	0	254.127	CF	2.707	0	Mild	ref	CFEARN	CN(C)/C=C/C(=O)c1ccc(Br)cc1	 
O=C(Cc1ccccc1)Nc1cccc(C(=O)O)c1	ZINC000000151360	54/38/90/371543890	JGBFNIWZGCHZMG-UHFFFAOYSA-N	-1	255.273	CF	2.566	0	Anodyne	ref	CFAARM	O=C(Cc1ccccc1)Nc1cccc(C(=O)[O-])c1	 
CCOc1c(Br)cc(C#N)cc1OC	ZINC000000151909	55/60/39/169556039	AMMHOLOYPXBDNB-UHFFFAOYSA-N	0	256.099	CF	2.728	0	Mild	ref	CFEARN	CCOc1c(Br)cc(C#N)cc1OC	 
CN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3	ZINC000000155525	44/84/08/393448408	VMWNQDUVQKEIOC-ZDUSSCGKSA-N	0	267.328	CF	2.85	1	Clean	mid	CFCAMN	CN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3	in-man
CN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3	ZINC000000155525	44/84/03/393448403	VMWNQDUVQKEIOC-ZDUSSCGKSA-N	1	267.328	CF	2.85	1	Clean	mid	CFCAMO	C[N@H+]1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3	in-man
CN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3	ZINC000000155525	44/83/96/393448396	VMWNQDUVQKEIOC-ZDUSSCGKSA-N	1	267.328	CF	2.85	0	Clean	ref	CFCARO	C[N@@H+]1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3	in-man
O=C(O)COc1ccc(OCc2ccccc2)cc1	ZINC000000156216	54/50/58/371545058	VXMSXBVTUNOSLL-UHFFFAOYSA-N	-1	258.273	CF	2.729	0	Anodyne	ref	CFAARM	O=C([O-])COc1ccc(OCc2ccccc2)cc1	 
O=C(O)CN(Cc1ccccc1)Cc1ccccc1	ZINC000000158317	54/53/34/371545334	QDWVRVNMKUFQJL-UHFFFAOYSA-N	-1	255.317	CF	2.773	1	Anodyne	mid	CFAAMM	O=C([O-])CN(Cc1ccccc1)Cc1ccccc1	 
O=C(O)CN(Cc1ccccc1)Cc1ccccc1	ZINC000000158317	54/53/31/371545331	QDWVRVNMKUFQJL-UHFFFAOYSA-N	0	255.317	CF	2.773	0	Anodyne	ref	CFAARN	O=C([O-])C[NH+](Cc1ccccc1)Cc1ccccc1	 
COc1ccc(CC(=O)c2ccc(O)cc2O)cc1	ZINC000000163657	54/62/31/371546231	XHBZOAYMBBUURD-UHFFFAOYSA-N	-1	258.273	CF	2.532	1	Anodyne	mid	CFAAMM	COc1ccc(CC(=O)c2ccc([O-])cc2O)cc1	in-vitro