CN(C)CCO[C@@](C)(c1ccccc1)c1ccccn1	ZINC000000000242	17/19/18/289171918	HCFDWZZGGLSKEP-KRWDZBQOSA-N	0	270.376	CF	2.923	3	Anodyne	high	CFAAHN	CN(C)CCO[C@@](C)(c1ccccc1)c1ccccn1	fda
CN(C)CCO[C@@](C)(c1ccccc1)c1ccccn1	ZINC000000000242	17/19/12/289171912	HCFDWZZGGLSKEP-KRWDZBQOSA-N	1	270.376	CF	2.923	0	Anodyne	ref	CFAARO	C[NH+](C)CCO[C@@](C)(c1ccccc1)c1ccccn1	fda
CC(=O)Oc1cc(C)c(OC(C)=O)c2ccccc12	ZINC000000000867	50/22/26/169502226	RYWSYCQQUDFMAU-UHFFFAOYSA-N	0	258.273	CF	2.999	0	Anodyne	ref	CFAARN	CC(=O)Oc1cc(C)c(OC(C)=O)c2ccccc12	world
NC(=O)N1c2ccccc2CC(=O)c2ccccc21	ZINC000000004724	06/72/32/295067232	CTRLABGOLIVAIY-UHFFFAOYSA-N	0	252.273	CF	2.642	0	Anodyne	ref	CFAARN	NC(=O)N1c2ccccc2CC(=O)c2ccccc21	fda
O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O)c21	ZINC000000004935	84/68/85/284846885	URFCJEUYXNAHFI-CYBMUJFWSA-N	-1	256.257	CF	2.804	1	Anodyne	mid	CFAAMM	O=C1C[C@H](c2ccccc2)Oc2cc([O-])cc(O)c21	in-man endogenous
O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O)c21	ZINC000000004935	84/68/83/284846883	URFCJEUYXNAHFI-CYBMUJFWSA-N	0	256.257	CF	2.804	0	Anodyne	ref	CFAARN	O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O)c21	in-man endogenous
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
CC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1	ZINC000000028050	50/96/81/371509681	GASBNSDQMPFNPZ-UHFFFAOYSA-N	-1	283.283	CF	2.84	0	Anodyne	ref	CFAARM	CC(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1	 
CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	ZINC000000030946	50/97/64/169509764	KKPWTOBMNDDGFL-LBPRGKRZSA-N	0	295.766	CF	2.755	0	Anodyne	ref	CFAARN	CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	 
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	ZINC000000030947	51/09/18/371510918	KKPWTOBMNDDGFL-GFCCVEGCSA-N	0	295.766	CF	2.755	0	Anodyne	ref	CFAARN	CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	 
CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1	ZINC000000031005	50/99/50/169509950	LPCQQMAWACEDGS-LBPRGKRZSA-N	0	295.766	CF	2.755	0	Anodyne	ref	CFAARN	CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1	 
CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1	ZINC000000031006	50/96/83/169509683	LPCQQMAWACEDGS-GFCCVEGCSA-N	0	295.766	CF	2.755	0	Anodyne	ref	CFAARN	CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1	 
CCOc1cc(C=O)ccc1OC(=O)c1ccco1	ZINC000000033990	51/23/48/371512348	MKLYKPSRZZUUDT-UHFFFAOYSA-N	0	260.245	CF	2.71	0	Anodyne	ref	CFAARN	CCOc1cc(C=O)ccc1OC(=O)c1ccco1	 
COC(=O)c1sc2nc3c(cc2c1N)C[C@@H](C)CC3	ZINC000000035140	51/25/14/371512514	LSPHVLFGSDPLGF-ZETCQYMHSA-N	0	276.361	CF	2.79	0	Clean	ref	CFCARN	COC(=O)c1sc2nc3c(cc2c1N)C[C@@H](C)CC3	 
COC(=O)c1sc2nc3c(cc2c1N)C[C@H](C)CC3	ZINC000000035141	45/69/34/277456934	LSPHVLFGSDPLGF-SSDOTTSWSA-N	0	276.361	CF	2.79	0	Clean	ref	CFCARN	COC(=O)c1sc2nc3c(cc2c1N)C[C@H](C)CC3	 
O=C(NCCc1nc2ccccc2[nH]1)c1ccccc1	ZINC000000037836	51/30/76/169513076	YRGGTYXDASSWSH-UHFFFAOYSA-N	0	265.316	CF	2.535	0	Anodyne	ref	CFAARN	O=C(NCCc1nc2ccccc2[nH]1)c1ccccc1	 
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(O)CCC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000000038761	51/40/83/371514083	WFQJCNSEYTZNFO-UHFFFAOYSA-N	-1	262.092	CF	2.797	0	Anodyne	ref	CFAARM	O=C([O-])CCC(=O)Nc1ccc(Cl)c(Cl)c1	 
CC[C@@H]1SC2=NCCN2[C@]1(O)c1ccc(Cl)cc1	ZINC000000040998	44/69/26/393446926	GHIYMSVUXQLJSA-AAEUAGOBSA-N	0	282.796	CF	2.682	0	Anodyne	ref	CFAARN	CC[C@@H]1SC2=NCCN2[C@]1(O)c1ccc(Cl)cc1	 
CC[C@H]1SC2=NCCN2[C@]1(O)c1ccc(Cl)cc1	ZINC000000040999	25/46/59/281254659	GHIYMSVUXQLJSA-YPMHNXCESA-N	0	282.796	CF	2.682	0	Anodyne	ref	CFAARN	CC[C@H]1SC2=NCCN2[C@]1(O)c1ccc(Cl)cc1	 
CC[C@@H]1SC2=NCCN2[C@@]1(O)c1ccc(Cl)cc1	ZINC000000041000	34/37/22/287343722	GHIYMSVUXQLJSA-WCQYABFASA-N	0	282.796	CF	2.682	0	Anodyne	ref	CFAARN	CC[C@@H]1SC2=NCCN2[C@@]1(O)c1ccc(Cl)cc1	 
CC[C@H]1SC2=NCCN2[C@@]1(O)c1ccc(Cl)cc1	ZINC000000041001	25/44/26/281254426	GHIYMSVUXQLJSA-DGCLKSJQSA-N	0	282.796	CF	2.682	0	Anodyne	ref	CFAARN	CC[C@H]1SC2=NCCN2[C@@]1(O)c1ccc(Cl)cc1	 
O=C1C(Cl)=C(N2CCCC2)C(=O)c2ccccc21	ZINC000000041245	43/92/86/296439286	QWKZKEUBFVSTDB-UHFFFAOYSA-N	0	261.708	CF	2.612	0	Mild	ref	CFEARN	O=C1C(Cl)=C(N2CCCC2)C(=O)c2ccccc21	 
Cc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1	ZINC000000043940	51/53/92/371515392	SDBHIUOHGKZTHG-UHFFFAOYSA-N	0	279.343	CF	2.844	0	Anodyne	ref	CFAARN	Cc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1	 
CC(=O)c1ccc(NC(=O)COc2ccccc2)cc1	ZINC000000046938	51/69/78/371516978	DBWULBWIOTWXON-UHFFFAOYSA-N	0	269.3	CF	2.907	0	Anodyne	ref	CFAARN	CC(=O)c1ccc(NC(=O)COc2ccccc2)cc1	 
O=C1C(=Cc2ccc3c(c2)OCO3)C(=O)c2ccccc21	ZINC000000047345	01/93/51/285019351	KFHYAPITKWBLHB-UHFFFAOYSA-N	0	278.263	CF	2.878	0	Mild	ref	CFEARN	O=C1C(=Cc2ccc3c(c2)OCO3)C(=O)c2ccccc21	 
O=S(=O)(Nc1cccc(O)c1)c1ccc(Cl)cc1	ZINC000000047656	51/69/62/371516962	LTAGGLQFGWNAHR-UHFFFAOYSA-N	-1	283.736	CF	2.846	1	Anodyne	mid	CFAAMM	O=S(=O)([N-]c1cccc(O)c1)c1ccc(Cl)cc1	 
O=S(=O)(Nc1cccc(O)c1)c1ccc(Cl)cc1	ZINC000000047656	51/69/56/371516956	LTAGGLQFGWNAHR-UHFFFAOYSA-N	0	283.736	CF	2.846	0	Anodyne	ref	CFAARN	O=S(=O)(Nc1cccc(O)c1)c1ccc(Cl)cc1	 
CCOC(=O)c1sc2nc(C)cc(C)c2c1N	ZINC000000051809	51/68/93/371516893	NUXMTIQMQARQAV-UHFFFAOYSA-N	0	250.323	CF	2.672	0	Clean	ref	CFCARN	CCOC(=O)c1sc2nc(C)cc(C)c2c1N	aggregator
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	 
Brc1ccc(OCCN2CCCC2)cc1	ZINC000000056522	51/86/94/371518694	YDWKSSWZGXRQET-UHFFFAOYSA-N	0	270.17	CF	2.924	3	Anodyne	high	CFAAHN	Brc1ccc(OCCN2CCCC2)cc1	 
Brc1ccc(OCCN2CCCC2)cc1	ZINC000000056522	51/86/85/371518685	YDWKSSWZGXRQET-UHFFFAOYSA-N	1	270.17	CF	2.924	0	Anodyne	ref	CFAARO	Brc1ccc(OCC[NH+]2CCCC2)cc1	 
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
O=C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000000056722	51/83/04/371518304	NDKDFTQNXLHCGO-UHFFFAOYSA-N	-1	297.31	CF	2.61	0	Anodyne	ref	CFAARM	O=C([O-])CNC(=O)OCC1c2ccccc2-c2ccccc21	 
CCNC(=O)/C=C/c1cccc(Br)c1	ZINC000000056762	51/83/97/371518397	LDCXGZCEMNMWIL-VOTSOKGWSA-N	0	254.127	CF	2.598	0	Anodyne	ref	CFAARN	CCNC(=O)/C=C/c1cccc(Br)c1	in-man
O=C(O)CCC(=O)c1ccc2c3c(cccc13)CC2	ZINC000000056859	52/02/96/169520296	RCYQMZNDPNZBNL-UHFFFAOYSA-N	-1	254.285	CF	2.986	0	Anodyne	ref	CFABRM	O=C([O-])CCC(=O)c1ccc2c3c(cccc13)CC2	 
Nc1ccc(OC(F)(F)F)cc1Br	ZINC000000057048	51/81/71/371518171	ROSTYHNIIDIBEG-UHFFFAOYSA-N	0	256.021	CF	2.93	0	Anodyne	ref	CFAARN	Nc1ccc(OC(F)(F)F)cc1Br	 
O=[N+]([O-])c1cc(Br)c(O)c(Br)c1	ZINC000000057139	51/80/66/371518066	WBHYZUAQCSHXCT-UHFFFAOYSA-N	-1	296.902	CF	2.825	0	Bother	ref	CFBARM	O=[N+]([O-])c1cc(Br)c([O-])c(Br)c1	 
O=C(O)c1cc(Br)cc(Br)c1O	ZINC000000057140	22/08/54/304220854	BFBZHSOXKROMBG-UHFFFAOYSA-N	-1	295.914	CF	2.615	0	Anodyne	ref	CFAARM	O=C([O-])c1cc(Br)cc(Br)c1O	 
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(C(=O)c2ccc(O)cc2)c(OC)c1	ZINC000000057587	51/87/21/371518721	QEHRETCJMLQPCR-UHFFFAOYSA-N	-1	258.273	CF	2.64	1	Anodyne	mid	CFAAMM	COc1ccc(C(=O)c2ccc([O-])cc2)c(OC)c1	 
COc1ccc(C(=O)c2ccc(O)cc2)c(OC)c1	ZINC000000057587	51/87/13/371518713	QEHRETCJMLQPCR-UHFFFAOYSA-N	0	258.273	CF	2.64	0	Anodyne	ref	CFAARN	COc1ccc(C(=O)c2ccc(O)cc2)c(OC)c1	 
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	 
CCOC(=O)c1c(N)sc2c1CC(C)(C)NC2(C)C	ZINC000000060293	29/68/01/276296801	HMDPWCUQODNEGV-UHFFFAOYSA-N	1	282.409	CF	2.666	0	Anodyne	ref	CFAARO	CCOC(=O)c1c(N)sc2c1CC(C)(C)[NH2+]C2(C)C	 
Cc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3	ZINC000000063429	65/88/55/291658855	XHXMPURWMSJENN-UHFFFAOYSA-N	0	255.317	CF	2.8	0	Anodyne	ref	CFAARN	Cc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3	in-vitro
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(O)c1	ZINC000000063868	52/10/59/371521059	MUJURUQANSUIPS-BQYQJAHWSA-N	-1	284.271	CF	2.952	3	Bother	high	CFBAHM	O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc([O-])c1	 
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(O)c1	ZINC000000063868	52/10/47/371521047	MUJURUQANSUIPS-BQYQJAHWSA-N	0	284.271	CF	2.952	0	Bother	ref	CFBARN	O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(O)c1	 
Nc1ccccc1SCc1cn2cccnc2n1	ZINC000000064795	52/18/09/371521809	GCCNLACCKVPIIY-UHFFFAOYSA-N	0	256.334	CF	2.604	0	Anodyne	ref	CFAARN	Nc1ccccc1SCc1cn2cccnc2n1	 
Cc1ccc(Sc2nc3ccccn3c(=O)c2C=O)cc1	ZINC000000064892	52/20/91/371522091	GYKYZYWLXBRKOU-UHFFFAOYSA-N	0	296.351	CF	2.967	0	Anodyne	ref	CFAARN	Cc1ccc(Sc2nc3ccccn3c(=O)c2C=O)cc1	 
O=C(O)CCn1c(C(F)(F)F)nc2ccccc21	ZINC000000065288	06/51/91/304065191	AJIMSSWHMBCANF-UHFFFAOYSA-N	-1	258.199	CF	2.53	0	Anodyne	ref	CFAARM	O=C([O-])CCn1c(C(F)(F)F)nc2ccccc21	 
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	 
O=C(O)CCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000000072374	52/36/49/371523649	RDBAUUCITWNACL-UHFFFAOYSA-N	-1	261.199	CF	2.509	0	Anodyne	ref	CFAARM	O=C([O-])CCC(=O)Nc1cccc(C(F)(F)F)c1	 
O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21	ZINC000000073693	83/66/84/284836684	URFCJEUYXNAHFI-ZDUSSCGKSA-N	-1	256.257	CF	2.804	1	Anodyne	mid	CFAAMM	O=C1C[C@@H](c2ccccc2)Oc2cc([O-])cc(O)c21	in-man endogenous
O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21	ZINC000000073693	83/66/83/284836683	URFCJEUYXNAHFI-ZDUSSCGKSA-N	0	256.257	CF	2.804	0	Anodyne	ref	CFAARN	O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21	in-man endogenous
Cc1cccc(C)c1NS(=O)(=O)c1ccc(N)cc1	ZINC000000073807	52/41/09/371524109	QFJZPNSHJNCXMO-UHFFFAOYSA-N	-1	276.361	CF	2.686	3	Anodyne	high	CFAAHM	Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(N)cc1	 
Cc1cccc(C)c1NS(=O)(=O)c1ccc(N)cc1	ZINC000000073807	52/41/03/371524103	QFJZPNSHJNCXMO-UHFFFAOYSA-N	0	276.361	CF	2.686	0	Anodyne	ref	CFAARN	Cc1cccc(C)c1NS(=O)(=O)c1ccc(N)cc1	 
Cc1onc(-c2c(F)cccc2Cl)c1C(N)=O	ZINC000000075546	52/36/69/371523669	PPKCMGUTHICRLU-UHFFFAOYSA-N	0	254.648	CF	2.541	0	Anodyne	ref	CFAARN	Cc1onc(-c2c(F)cccc2Cl)c1C(N)=O	 
COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1O	ZINC000000076005	52/34/53/371523453	NPHKQWBQYOBTKH-UHFFFAOYSA-N	-1	280.279	CF	2.863	3	Mild	high	CFEAHM	COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1[O-]	 
COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1O	ZINC000000076005	52/34/45/371523445	NPHKQWBQYOBTKH-UHFFFAOYSA-N	0	280.279	CF	2.863	0	Mild	ref	CFEARN	COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1O	 
CCOC(=O)CSc1nc2ccccc2s1	ZINC000000076388	78/92/71/326789271	OOZLAJJSFPATME-UHFFFAOYSA-N	0	253.348	CF	2.952	0	Anodyne	ref	CFAARN	CCOC(=O)CSc1nc2ccccc2s1	 
Cc1cccc(OCC(=O)Nc2cccc(O)c2)c1	ZINC000000077984	52/51/47/371525147	WEHUOWSUJYQQGN-UHFFFAOYSA-N	0	257.289	CF	2.718	0	Anodyne	ref	CFAARN	Cc1cccc(OCC(=O)Nc2cccc(O)c2)c1	 
CC(=O)c1sccc1NC(=O)c1ccccc1C(=O)O	ZINC000000082736	52/53/11/371525311	JBPSIUJQSLGDHC-UHFFFAOYSA-N	-1	289.312	CF	2.901	0	Anodyne	ref	CFAARM	CC(=O)c1sccc1NC(=O)c1ccccc1C(=O)[O-]	 
Cc1c(C=O)c(=O)oc2c3c4c(cc12)CCCN4CCC3	ZINC000000083132	53/92/01/291539201	ZBZZGJPDANZGGV-UHFFFAOYSA-N	0	283.327	CF	2.613	0	Anodyne	ref	CFAARN	Cc1c(C=O)c(=O)oc2c3c4c(cc12)CCCN4CCC3	 
COC(=O)c1sc2nc(C)cc(C(F)(F)F)c2c1N	ZINC000000084238	17/47/57/277174757	ONQKNXVMVAMILB-UHFFFAOYSA-N	0	290.266	CF	2.992	0	Clean	ref	CFCARN	COC(=O)c1sc2nc(C)cc(C(F)(F)F)c2c1N	 
Cc1ccc(S(=O)(=O)CC(=O)c2ccccc2)cc1	ZINC000000085474	52/63/49/371526349	RFQXSRPFYWMUDV-UHFFFAOYSA-N	0	274.341	CF	2.652	2	Anodyne	low	CFAALN	Cc1ccc(S(=O)(=O)CC(=O)c2ccccc2)cc1	 
Cc1ccc(S(=O)(=O)CC(=O)c2ccccc2)cc1	ZINC000000085474	52/63/40/371526340	RFQXSRPFYWMUDV-UHFFFAOYSA-N	-1	274.341	CF	2.652	0	Anodyne	ref	CFAARM	Cc1ccc(S(=O)(=O)C=C([O-])c2ccccc2)cc1	 
CC(C)(C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1	ZINC000000085648	52/67/69/371526769	XTIUXIMZIKBBSU-UHFFFAOYSA-N	0	274.769	CF	2.729	0	Anodyne	ref	CFAARN	CC(C)(C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1	 
Cc1nc(NN)c2cc(-c3ccccc3)sc2n1	ZINC000000087608	13/29/94/282132994	ZDAJGUKMOJNSHU-UHFFFAOYSA-N	1	256.334	CF	2.952	2	Anodyne	low	CFAALO	Cc1nc2sc(-c3ccccc3)cc2c(NN)[nH+]1	 
Cc1nc(NN)c2cc(-c3ccccc3)sc2n1	ZINC000000087608	13/29/92/282132992	ZDAJGUKMOJNSHU-UHFFFAOYSA-N	0	256.334	CF	2.952	0	Anodyne	ref	CFAARN	Cc1nc(=NN)c2cc(-c3ccccc3)sc2[nH]1	 
CC(=O)CSc1nnc2sc3ccccc3n12	ZINC000000087660	52/74/13/371527413	DJWRLJURCGITDY-UHFFFAOYSA-N	0	263.347	CF	2.625	0	Anodyne	ref	CFAARN	CC(=O)CSc1nnc2sc3ccccc3n12	 
CCOC(=O)CSc1nc(N)c2c(C)c(C)sc2n1	ZINC000000088044	52/65/61/371526561	MTIJJOSOEBIMHV-UHFFFAOYSA-N	0	297.405	CF	2.546	0	Anodyne	ref	CFAARN	CCOC(=O)CSc1nc(N)c2c(C)c(C)sc2n1	 
CC(C)[C@H](Nc1ncnc2sc3c(c12)CCC3)C(=O)O	ZINC000000090334	33/62/84/280336284	GWCDEYDMKMNWKP-NSHDSACASA-N	-1	291.376	CF	2.701	0	Anodyne	ref	CFAARM	CC(C)[C@H](Nc1ncnc2sc3c(c12)CCC3)C(=O)[O-]	 
CC(C)[C@@H](Nc1ncnc2sc3c(c12)CCC3)C(=O)O	ZINC000000090338	44/64/72/393446472	GWCDEYDMKMNWKP-LLVKDONJSA-N	-1	291.376	CF	2.701	0	Anodyne	ref	CFAARM	CC(C)[C@@H](Nc1ncnc2sc3c(c12)CCC3)C(=O)[O-]	 
O=C1C[C@H](NC2CCCC2)C(=O)N1c1ccc(Cl)cc1	ZINC000000093229	52/81/76/371528176	YOXSBUBHYQJYRR-ZDUSSCGKSA-N	0	292.766	CF	2.504	3	Anodyne	high	CFAAHN	O=C1C[C@H](NC2CCCC2)C(=O)N1c1ccc(Cl)cc1	 
O=C1C[C@H](NC2CCCC2)C(=O)N1c1ccc(Cl)cc1	ZINC000000093229	52/81/69/371528169	YOXSBUBHYQJYRR-ZDUSSCGKSA-N	1	292.766	CF	2.504	0	Anodyne	ref	CFAARO	O=C1C[C@H]([NH2+]C2CCCC2)C(=O)N1c1ccc(Cl)cc1	 
CC(=O)c1cnc2cc(-c3ccccc3)nn2c1C	ZINC000000095995	53/44/12/169534412	ZVNLZHPPJSDVPZ-UHFFFAOYSA-N	0	251.289	CF	2.907	0	Anodyne	ref	CFAARN	CC(=O)c1cnc2cc(-c3ccccc3)nn2c1C	aggregator
CC(C)OC(=O)CSc1nc2ccccc2[nH]1	ZINC000000096716	52/99/68/371529968	HIFJWDBUUBMUAV-UHFFFAOYSA-N	0	250.323	CF	2.607	0	Anodyne	ref	CFAARN	CC(C)OC(=O)CSc1nc2ccccc2[nH]1	 
Cc1ccc2c(N)c(C(=O)Nc3cc(C)on3)sc2n1	ZINC000000099227	73/33/99/278733399	CUOFCPGLYFFQKR-UHFFFAOYSA-N	0	288.332	CF	2.736	0	Anodyne	ref	CFAARN	Cc1ccc2c(N)c(C(=O)Nc3cc(C)on3)sc2n1	 
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(N)=O	ZINC000000101229	61/25/94/263612594	SCICCTQWOXUTCQ-JXMROGBWSA-N	0	272.691	CF	2.992	0	Reactive	ref	CFGARN	N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(N)=O	 
CCOC(=O)CNc1ccc(OC(F)(F)F)cc1	ZINC000000103742	53/72/75/169537275	FNHJUHOZXLJSJE-UHFFFAOYSA-N	0	263.215	CF	2.56	0	Anodyne	ref	CFAARN	CCOC(=O)CNc1ccc(OC(F)(F)F)cc1	 
O=C(O)[C@@H](C(=O)OCc1ccccc1)c1ccccc1	ZINC000000105219	53/09/88/371530988	QSBAHMROFICXDC-AWEZNQCLSA-N	-1	270.284	CF	2.598	0	Anodyne	ref	CFAARM	O=C([O-])[C@@H](C(=O)OCc1ccccc1)c1ccccc1	 
O=C(O)[C@H](C(=O)OCc1ccccc1)c1ccccc1	ZINC000000105223	53/10/84/371531084	QSBAHMROFICXDC-CQSZACIVSA-N	-1	270.284	CF	2.598	0	Anodyne	ref	CFAARM	O=C([O-])[C@H](C(=O)OCc1ccccc1)c1ccccc1	 
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	 
COC(=O)c1c(-c2ccc(F)cc2)csc1N	ZINC000000105287	53/78/87/169537887	DZCBSOKWTGUFCJ-UHFFFAOYSA-N	0	251.282	CF	2.923	0	Anodyne	ref	CFAARN	COC(=O)c1c(-c2ccc(F)cc2)csc1N	 
COC(=O)c1c(-c2ccc(OC)cc2)csc1N	ZINC000000105315	53/09/80/371530980	ZGOUZQMMKJXNQQ-UHFFFAOYSA-N	0	263.318	CF	2.793	0	Anodyne	ref	CFAARN	COC(=O)c1c(-c2ccc(OC)cc2)csc1N	 
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	 
COC(=O)c1cc(Br)cc(Br)c1	ZINC000000109920	14/91/21/277149121	GSMAWUZTAIOCPL-UHFFFAOYSA-N	0	293.942	CF	2.998	0	Anodyne	ref	CFAARN	COC(=O)c1cc(Br)cc(Br)c1	 
COc1ccc(CNCc2ccc(OC)cc2)cc1	ZINC000000110870	53/26/65/371532665	HBKPDEWGANZHJO-UHFFFAOYSA-N	0	257.333	CF	2.994	3	Anodyne	high	CFAAHN	COc1ccc(CNCc2ccc(OC)cc2)cc1	 
COc1ccc(CNCc2ccc(OC)cc2)cc1	ZINC000000110870	53/26/58/371532658	HBKPDEWGANZHJO-UHFFFAOYSA-N	1	257.333	CF	2.994	0	Anodyne	ref	CFAARO	COc1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1	 
Cc1ccc(I)cc1[N+](=O)[O-]	ZINC000000111660	12/48/32/292124832	QLMRDNPXYNJQMQ-UHFFFAOYSA-N	0	263.034	CF	2.508	0	Bother	ref	CFBARN	Cc1ccc(I)cc1[N+](=O)[O-]	 
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(N)=O	ZINC000000117201	61/25/26/263612526	SIAMCDIHXZUXRD-XNTDXEJSSA-N	0	278.311	CF	2.658	0	Reactive	ref	CFGARN	N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(N)=O	 
COC(=O)c1c(NC(C)=O)sc2c1CC[C@H](C)C2	ZINC000000118400	53/43/88/371534388	NZKHQXOQTASZDE-ZETCQYMHSA-N	0	267.35	CF	2.618	0	Anodyne	ref	CFAARN	COC(=O)c1c(NC(C)=O)sc2c1CC[C@H](C)C2	 
COC(=O)c1c(NC(C)=O)sc2c1CC[C@@H](C)C2	ZINC000000118403	51/43/75/284514375	NZKHQXOQTASZDE-SSDOTTSWSA-N	0	267.35	CF	2.618	0	Anodyne	ref	CFAARN	COC(=O)c1c(NC(C)=O)sc2c1CC[C@@H](C)C2	 
O=C(c1ccccc1)c1ccc(N2CCOCC2)cc1	ZINC000000119439	53/56/87/371535687	CGCQHMFVCNWSOV-UHFFFAOYSA-N	0	267.328	CF	2.754	0	Anodyne	ref	CFABRN	O=C(c1ccccc1)c1ccc(N2CCOCC2)cc1	 
O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12	ZINC000000120273	53/50/96/371535096	VCCRNZQBSJXYJD-UHFFFAOYSA-N	-1	270.24	CF	2.577	0	Anodyne	ref	CFAARM	O=C1C=C([O-])C=C2OC(c3ccccc3)C(=O)C(O)=C12	in-man endogenous
FC(F)(F)c1cc(-c2ccccc2)nc2ncnn12	ZINC000000121033	91/51/18/282915118	NRCLELLRAKOLNL-UHFFFAOYSA-N	0	264.21	CF	2.81	0	Anodyne	ref	CFAARN	FC(F)(F)c1cc(-c2ccccc2)nc2ncnn12	 
O=C(CSc1nc2ccccc2[nH]1)NCc1ccccc1	ZINC000000124955	53/55/09/371535509	DLDUWMKXHKTLEW-UHFFFAOYSA-N	0	297.383	CF	2.971	0	Anodyne	ref	CFAARN	O=C(CSc1nc2ccccc2[nH]1)NCc1ccccc1	 
CC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1	ZINC000000125450	54/51/78/169545178	FBFFSUCSLKYKLH-UHFFFAOYSA-N	-1	283.283	CF	2.84	0	Anodyne	ref	CFAARM	CC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1