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	 
N#Cc1c(N)nc(-c2ccccc2)nc1C(F)(F)F	ZINC000000040505	07/77/88/283077788	VKYVHZNDUDCIAZ-UHFFFAOYSA-N	0	264.21	CF	2.616	0	Mild	ref	CFEARN	N#Cc1c(N)nc(-c2ccccc2)nc1C(F)(F)F	 
C=CCN1C(=O)O[C@@](C)(CCC=C(C)C)[C@]1(C)O	ZINC000000049485	85/64/75/277856475	UOKVKKBVZREBLQ-KBPBESRZSA-N	0	253.342	CF	2.838	0	Mild	ref	CFEARN	C=CCN1C(=O)O[C@@](C)(CCC=C(C)C)[C@]1(C)O	 
C=CCN1C(=O)O[C@@](C)(CCC=C(C)C)[C@@]1(C)O	ZINC000000049487	51/71/82/371517182	UOKVKKBVZREBLQ-UONOGXRCSA-N	0	253.342	CF	2.838	0	Mild	ref	CFEARN	C=CCN1C(=O)O[C@@](C)(CCC=C(C)C)[C@@]1(C)O	 
O=C(O)c1cc(Br)c(O)c(Br)c1	ZINC000000056596	22/08/46/304220846	PHWAJJWKNLWZGJ-UHFFFAOYSA-N	-1	295.914	CF	2.615	1	Anodyne	mid	CFAAMM	O=C([O-])c1cc(Br)c(O)c(Br)c1	in-vitro
O=C(O)c1cc(Br)c(O)c(Br)c1	ZINC000000056596	22/08/45/304220845	PHWAJJWKNLWZGJ-UHFFFAOYSA-N	-2	295.914	CF	2.615	0	Anodyne	ref	CFAARL	O=C([O-])c1cc(Br)c([O-])c(Br)c1	in-vitro
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	 
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	 
O=C(CS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1	ZINC000000058239	52/01/77/371520177	KZACHGLUJYSTGQ-UHFFFAOYSA-N	-1	294.759	CF	2.997	0	Anodyne	ref	CFAARM	O=S(=O)(C=C([O-])c1ccc(Cl)cc1)c1ccccc1	in-vivo
Nc1ccccc1SCc1cn2cccnc2n1	ZINC000000064795	52/18/09/371521809	GCCNLACCKVPIIY-UHFFFAOYSA-N	0	256.334	CF	2.604	0	Anodyne	ref	CFAARN	Nc1ccccc1SCc1cn2cccnc2n1	 
O=C(O)COc1ccc(Br)cc1Cl	ZINC000000064970	52/37/04/169523704	VCDBRFZHSIYFRO-UHFFFAOYSA-N	-1	265.49	CF	2.566	0	Anodyne	ref	CFAARM	O=C([O-])COc1ccc(Br)cc1Cl	 
O=Cc1nc(-c2cccc([N+](=O)[O-])c2)n2ccccc12	ZINC000000065106	52/37/30/169523730	QSMKOSLIGQUWDF-UHFFFAOYSA-N	0	267.244	CF	2.722	0	Bother	ref	CFBARN	O=Cc1nc(-c2cccc([N+](=O)[O-])c2)n2ccccc12	 
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)C(NC(=O)c1ccccc1)=C1CCCCC1	ZINC000000083207	52/49/35/371524935	GERDCIGNBPOJAD-UHFFFAOYSA-N	-1	259.305	CF	2.719	0	Anodyne	ref	CFAARM	O=C([O-])C(NC(=O)c1ccccc1)=C1CCCCC1	 
O=C1C=C(c2ccccc2)[C@](O)(c2ccccc2)C1	ZINC000000083955	53/02/94/169530294	UYKCAQGCJCECGZ-QGZVFWFLSA-N	0	250.297	CF	2.931	0	Mild	ref	CFEARN	O=C1C=C(c2ccccc2)[C@](O)(c2ccccc2)C1	 
O=C1C=C(c2ccccc2)[C@@](O)(c2ccccc2)C1	ZINC000000083960	31/37/33/296313733	UYKCAQGCJCECGZ-KRWDZBQOSA-N	0	250.297	CF	2.931	0	Mild	ref	CFEARN	O=C1C=C(c2ccccc2)[C@@](O)(c2ccccc2)C1	 
O=C(O)c1ccccc1Cc1nc2ccccc2[nH]1	ZINC000000087779	26/92/40/304269240	IHANHHREEUHDHK-UHFFFAOYSA-N	0	252.273	CF	2.852	2	Anodyne	low	CFAALN	O=C([O-])c1ccccc1Cc1[nH]c2ccccc2[nH+]1	 
O=C(O)c1ccccc1Cc1nc2ccccc2[nH]1	ZINC000000087779	26/92/38/304269238	IHANHHREEUHDHK-UHFFFAOYSA-N	-1	252.273	CF	2.852	0	Anodyne	ref	CFAARM	O=C([O-])c1ccccc1Cc1nc2ccccc2[nH]1	 
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)c1cc(Br)cc(Br)c1	ZINC000000142254	22/08/22/304220822	SFTFNJZWZHASAQ-UHFFFAOYSA-N	-1	279.915	CF	2.91	0	Anodyne	ref	CFAARM	O=C([O-])c1cc(Br)cc(Br)c1	 
COc1ccc([C@@H]2O[C@@]23Cc2ccccc2C3=O)cc1	ZINC000000163791	36/52/23/286365223	LZNLWNYATXBVFQ-DLBZAZTESA-N	0	266.296	CF	2.944	0	Mild	ref	CFEARN	COc1ccc([C@@H]2O[C@@]23Cc2ccccc2C3=O)cc1	 
COc1ccc([C@H]2O[C@@]23Cc2ccccc2C3=O)cc1	ZINC000000163792	38/01/89/286380189	LZNLWNYATXBVFQ-IAGOWNOFSA-N	0	266.296	CF	2.944	0	Mild	ref	CFEARN	COc1ccc([C@H]2O[C@@]23Cc2ccccc2C3=O)cc1	 
COc1ccc([C@@H]2O[C@]23Cc2ccccc2C3=O)cc1	ZINC000000163794	36/52/11/286365211	LZNLWNYATXBVFQ-IRXDYDNUSA-N	0	266.296	CF	2.944	0	Mild	ref	CFEARN	COc1ccc([C@@H]2O[C@]23Cc2ccccc2C3=O)cc1	 
COc1ccc([C@H]2O[C@]23Cc2ccccc2C3=O)cc1	ZINC000000163795	54/68/05/371546805	LZNLWNYATXBVFQ-SJORKVTESA-N	0	266.296	CF	2.944	0	Mild	ref	CFEARN	COc1ccc([C@H]2O[C@]23Cc2ccccc2C3=O)cc1	 
COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000171247	54/75/91/371547591	DXVSAELNVPXMSQ-UHFFFAOYSA-N	0	257.245	CF	2.834	0	Bother	ref	CFBARN	COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1	 
O=Cc1ccc(OCc2cn3ccccc3n2)cc1	ZINC000000174726	55/02/16/371550216	DJDDDYGGKVCWQO-UHFFFAOYSA-N	0	252.273	CF	2.726	0	Anodyne	ref	CFAARN	O=Cc1ccc(OCc2cn3ccccc3n2)cc1	 
Nc1nnc(CSCc2ccc(F)cc2)s1	ZINC000000183409	56/68/63/169566863	RVDXIJIAKMLTCW-UHFFFAOYSA-N	0	255.343	CF	2.693	0	Anodyne	ref	CFAARN	Nc1nnc(CSCc2ccc(F)cc2)s1	 
CCOC(=O)c1sc2nc3c(cc2c1N)CCC3	ZINC000000207135	30/56/51/276305651	OIUVBEVNLBCGLH-UHFFFAOYSA-N	0	262.334	CF	2.544	0	Clean	ref	CFCARN	CCOC(=O)c1sc2nc3c(cc2c1N)CCC3	 
O=Cc1cccn1-c1sc2c(c1C(=O)O)CCCC2	ZINC000000208141	55/77/59/371557759	RLHUXDYMGCWXPO-UHFFFAOYSA-N	-1	275.329	CF	2.928	0	Anodyne	ref	CFAARM	O=Cc1cccn1-c1sc2c(c1C(=O)[O-])CCCC2	 
O=C1c2ccccc2C(=O)N1CCc1ccccc1	ZINC000000246806	56/79/99/371567999	MBYLNRRTUYQZAW-UHFFFAOYSA-N	0	251.285	CF	2.525	0	Anodyne	ref	CFAARN	O=C1c2ccccc2C(=O)N1CCc1ccccc1	 
COC(=O)CSc1nnc(-c2ccccc2Cl)o1	ZINC000000271484	57/52/26/371575226	RMZVVWCZWAJXNE-UHFFFAOYSA-N	0	284.724	CF	2.655	0	Anodyne	ref	CFAARN	COC(=O)CSc1nnc(-c2ccccc2Cl)o1	 
Cn1c(-c2cccc([N+](=O)[O-])c2)[n+](C)c2ccccc21	ZINC000000279139	18/81/62/294188162	LXRHJTZXRKMLDO-UHFFFAOYSA-N	1	268.296	CF	2.578	0	Bother	ref	CFBARO	Cn1c(-c2cccc([N+](=O)[O-])c2)[n+](C)c2ccccc21	 
O=Cc1cn(CC(=O)NC2CCCC2)c2ccccc12	ZINC000000279971	57/61/43/371576143	FEEHNBPNHNGVQC-UHFFFAOYSA-N	0	270.332	CF	2.513	0	Anodyne	ref	CFAARN	O=Cc1cn(CC(=O)NC2CCCC2)c2ccccc12	 
CC(C)N1CC[C@@H](Nc2ccc(Cl)cc2)N1C=O	ZINC000000282688	57/71/04/371577104	ZYMXCMXIJZIHLM-ZDUSSCGKSA-N	0	267.76	CF	2.566	0	Anodyne	ref	CFAARN	CC(C)N1CC[C@@H](Nc2ccc(Cl)cc2)N1C=O	 
CC(C)N1CC[C@H](Nc2ccc(Cl)cc2)N1C=O	ZINC000000282693	57/66/98/371576698	ZYMXCMXIJZIHLM-CYBMUJFWSA-N	0	267.76	CF	2.566	0	Anodyne	ref	CFAARN	CC(C)N1CC[C@H](Nc2ccc(Cl)cc2)N1C=O	 
COc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1	ZINC000000303226	58/25/50/371582550	VYORLHNCZWLOHJ-UHFFFAOYSA-N	0	256.257	CF	2.727	0	Anodyne	ref	CFAARN	COc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1	 
Cc1c(C(=O)O)cccc1-n1c(C)cc(C=O)c1C	ZINC000000308790	26/71/21/301267121	LQCHZVZBSQAVDA-UHFFFAOYSA-N	-1	257.289	CF	2.913	0	Clean	ref	CFCARM	Cc1c(C(=O)[O-])cccc1-n1c(C)cc(C=O)c1C	 
Cc1c(C=O)c2ccccc2n1CC(=O)N1CCCCC1	ZINC000000309477	58/42/36/371584236	OAPJZDXQRNRZFN-UHFFFAOYSA-N	0	284.359	CF	2.775	0	Anodyne	ref	CFAARN	Cc1c(C=O)c2ccccc2n1CC(=O)N1CCCCC1	 
COc1cccc(C=O)c1OC(=O)c1cccs1	ZINC000000310027	58/43/96/371584396	YXWXCNWWOKMUQA-UHFFFAOYSA-N	0	262.286	CF	2.788	0	Anodyne	ref	CFAARN	COc1cccc(C=O)c1OC(=O)c1cccs1	 
O=Cc1ccc(-n2nncc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000312364	58/61/82/371586182	XJVWAYBOYHUNLB-UHFFFAOYSA-N	0	294.27	CF	2.655	0	Bother	ref	CFBARN	O=Cc1ccc(-n2nncc2-c2ccc([N+](=O)[O-])cc2)cc1	 
O=Cc1cn(CC(=O)NCc2cccs2)c2ccccc12	ZINC000000313199	60/59/32/169605932	VUSDMGIJXQQBKJ-UHFFFAOYSA-N	0	298.367	CF	2.832	0	Anodyne	ref	CFAARN	O=Cc1cn(CC(=O)NCc2cccs2)c2ccccc12	 
Cc1nc(N2CCCCC2)nc(N2CCCCC2)c1C=O	ZINC000000327565	58/76/24/371587624	HYYRVOSDRRXGEE-UHFFFAOYSA-N	1	288.395	CF	2.578	2	Anodyne	low	CFAALO	Cc1[nH+]c(N2CCCCC2)nc(N2CCCCC2)c1C=O	 
Cc1nc(N2CCCCC2)nc(N2CCCCC2)c1C=O	ZINC000000327565	58/76/10/371587610	HYYRVOSDRRXGEE-UHFFFAOYSA-N	0	288.395	CF	2.578	0	Anodyne	ref	CFAARN	Cc1nc(N2CCCCC2)nc(N2CCCCC2)c1C=O	 
NC(=S)N/N=C/c1csc2ccc(Cl)cc12	ZINC000000330007	58/77/82/371587782	ODWTYYZNJGFTAP-YIXHJXPBSA-N	0	269.782	CF	2.722	0	Mild	ref	CFEARN	NC(=S)N/N=C/c1csc2ccc(Cl)cc12	 
O=[N+]([O-])c1ccc(Br)c2ccncc12	ZINC000000330540	36/29/53/280362953	ULGOLOXWHJEZNZ-UHFFFAOYSA-N	0	253.055	CF	2.906	0	Bother	ref	CFBARN	O=[N+]([O-])c1ccc(Br)c2ccncc12	 
N#Cc1cc(Br)c(C#N)cc1Br	ZINC000000330714	49/96/36/279499636	JLLBPEUXSDBMIZ-UHFFFAOYSA-N	0	285.926	CF	2.955	0	Mild	ref	CFEARN	N#Cc1cc(Br)c(C#N)cc1Br	 
Nc1c(Br)cc(Br)nc1Cl	ZINC000000330772	34/64/06/295346406	MELFQEILRLHIJL-UHFFFAOYSA-N	0	286.354	CF	2.842	0	Anodyne	ref	CFAARN	Nc1c(Br)cc(Br)nc1Cl	 
CNc1ccc(Br)nc1Br	ZINC000000330892	69/01/15/283690115	GNZAMGYWQVVOSR-UHFFFAOYSA-N	0	265.936	CF	2.648	0	Anodyne	ref	CFAARN	CNc1ccc(Br)nc1Br	 
Nc1c(Br)cc(C=O)cc1Br	ZINC000000330967	34/44/13/295344413	QHFGYJWGASPRHW-UHFFFAOYSA-N	0	278.931	CF	2.606	0	Anodyne	ref	CFAARN	Nc1c(Br)cc(C=O)cc1Br	 
COC(=O)c1c(Br)cccc1Br	ZINC000000331059	58/73/85/371587385	XBRJXFYZADAIRU-UHFFFAOYSA-N	0	293.942	CF	2.998	0	Anodyne	ref	CFAARN	COC(=O)c1c(Br)cccc1Br	 
O=[N+]([O-])c1cccc2cc(Br)cnc12	ZINC000000331126	51/29/83/296512983	DTXRHWZDVULKEJ-UHFFFAOYSA-N	0	253.055	CF	2.906	0	Bother	ref	CFBARN	O=[N+]([O-])c1cccc2cc(Br)cnc12	 
Ic1nccc2ccccc12	ZINC000000331153	58/80/78/371588078	FDDBUIWRNBGXHB-UHFFFAOYSA-N	0	255.058	CF	2.839	0	Anodyne	ref	CFAARN	Ic1nccc2ccccc12	 
Ic1cncc2ccccc12	ZINC000000331155	77/91/49/294779149	LRPCCFSUFGFVBO-UHFFFAOYSA-N	0	255.058	CF	2.839	0	Anodyne	ref	CFAARN	Ic1cncc2ccccc12	 
Ic1cc(-c2ccccc2)ncn1	ZINC000000331218	04/01/96/283040196	ZTCJXHNJVLUUMR-UHFFFAOYSA-N	0	282.084	CF	2.748	0	Anodyne	ref	CFAARN	Ic1cc(-c2ccccc2)ncn1	in-vivo
Ic1ccc(-c2ccccc2)nn1	ZINC000000331220	47/46/98/279474698	VMJPFSSSCKOIDI-UHFFFAOYSA-N	0	282.084	CF	2.748	0	Anodyne	ref	CFAARN	Ic1ccc(-c2ccccc2)nn1	 
Cc1cc(Br)cnc1Br	ZINC000000331806	66/52/31/291665231	LIMXEVCFAUTBCK-UHFFFAOYSA-N	0	250.921	CF	2.915	0	Anodyne	ref	CFAARN	Cc1cc(Br)cnc1Br	 
O=Cc1cccn(-c2ccc([N+](=O)[O-])cc2)c1=S	ZINC000000332231	58/72/86/371587286	SXENJQUIIYVQAX-UHFFFAOYSA-N	0	260.274	CF	2.927	0	Bother	ref	CFBARN	O=Cc1cccn(-c2ccc([N+](=O)[O-])cc2)c1=S	 
COc1ccc(-c2nn(C)c(Cl)c2C=O)cc1	ZINC000000332234	58/98/09/371589809	SALUMYDSTLTGDT-UHFFFAOYSA-N	0	250.685	CF	2.562	0	Anodyne	ref	CFAARN	COc1ccc(-c2nn(C)c(Cl)c2C=O)cc1	 
CCOC(=O)c1ccc(C=O)n1Cc1ccccc1	ZINC000000332278	60/91/87/169609187	XUMRUIBITWLEQM-UHFFFAOYSA-N	0	257.289	CF	2.526	0	Anodyne	ref	CFAARN	CCOC(=O)c1ccc(C=O)n1Cc1ccccc1	 
O=C(CNC(=O)c1ccccc1)Oc1ccc(Cl)cc1	ZINC000000332303	58/97/12/371589712	PXVFIIANDHVDDY-UHFFFAOYSA-N	0	289.718	CF	2.675	0	Anodyne	ref	CFAARN	O=C(CNC(=O)c1ccccc1)Oc1ccc(Cl)cc1	 
O=C(CNC(=O)c1ccccc1)Oc1cccc(Cl)c1	ZINC000000332306	58/93/59/371589359	DUZZSWYNRSSSSL-UHFFFAOYSA-N	0	289.718	CF	2.675	0	Anodyne	ref	CFAARN	O=C(CNC(=O)c1ccccc1)Oc1cccc(Cl)c1	 
O=Cc1cc(OCc2ccccc2)cc(C=O)c1O	ZINC000000332722	58/98/01/371589801	NISXIAFDZWDHCL-UHFFFAOYSA-N	-1	256.257	CF	2.596	1	Anodyne	mid	CFAAMM	O=Cc1cc(OCc2ccccc2)cc(C=O)c1[O-]	 
O=Cc1cc(OCc2ccccc2)cc(C=O)c1O	ZINC000000332722	58/97/89/371589789	NISXIAFDZWDHCL-UHFFFAOYSA-N	0	256.257	CF	2.596	0	Anodyne	ref	CFAARN	O=Cc1cc(OCc2ccccc2)cc(C=O)c1O	 
O=Cc1ccccc1OC(=O)c1cc2ccccc2oc1=O	ZINC000000332798	59/00/01/371590001	BFUMFYWCSINICO-UHFFFAOYSA-N	0	294.262	CF	2.825	0	Anodyne	ref	CFAARN	O=Cc1ccccc1OC(=O)c1cc2ccccc2oc1=O	 
O=C(O)CNc1ccc(SC(F)(F)F)cc1	ZINC000000332902	58/96/17/371589617	RHELTIODRNGNDQ-UHFFFAOYSA-N	-1	251.229	CF	2.795	0	Anodyne	ref	CFAARM	O=C([O-])CNc1ccc(SC(F)(F)F)cc1	 
O=C(O)CNc1ccccc1SC(F)(F)F	ZINC000000332903	58/99/28/371589928	NIOPHUUHFBOUBU-UHFFFAOYSA-N	-1	251.229	CF	2.795	0	Anodyne	ref	CFAARM	O=C([O-])CNc1ccccc1SC(F)(F)F	 
Cc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1[N+](=O)[O-]	ZINC000000333550	58/92/77/371589277	ZHBMJSUJZWINHZ-UHFFFAOYSA-N	0	285.255	CF	2.935	0	Bother	ref	CFBARN	Cc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1[N+](=O)[O-]	 
COc1cc(C=O)ccc1OCc1ccccc1[N+](=O)[O-]	ZINC000000333557	37/58/10/277375810	FSRJUMIINZPJJC-UHFFFAOYSA-N	0	287.271	CF	2.995	0	Bother	ref	CFBARN	COc1cc(C=O)ccc1OCc1ccccc1[N+](=O)[O-]	 
O=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	ZINC000000333566	58/98/12/371589812	GMZGJTDCLVLLQA-UHFFFAOYSA-N	0	257.245	CF	2.986	0	Bother	ref	CFBARN	O=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	 
COC(=O)COc1ccc(-c2ccccc2)cc1C=O	ZINC000000333623	60/95/04/169609504	XIIGWALWSOPJGY-UHFFFAOYSA-N	0	270.284	CF	2.718	0	Anodyne	ref	CFAARN	COC(=O)COc1ccc(-c2ccccc2)cc1C=O	 
COc1cc2cc(C=O)c(Cl)nc2cc1OC	ZINC000000333655	58/95/84/371589584	CCJKLPYJNAHFIE-UHFFFAOYSA-N	0	251.669	CF	2.718	0	Anodyne	ref	CFAARN	COc1cc2cc(C=O)c(Cl)nc2cc1OC	 
COc1cc2nc(Cl)c(C=O)cc2c(OC)c1OC	ZINC000000333660	58/95/97/371589597	BJNANKCDLJBKRZ-UHFFFAOYSA-N	0	281.695	CF	2.727	0	Anodyne	ref	CFAARN	COc1cc2nc(Cl)c(C=O)cc2c(OC)c1OC	 
Cc1cccc(-n2c(Cl)c(C=O)sc2=O)c1	ZINC000000333740	58/92/39/371589239	YVEXWJXLNASCDX-UHFFFAOYSA-N	0	253.71	CF	2.673	0	Anodyne	ref	CFAARN	Cc1cccc(-n2c(Cl)c(C=O)sc2=O)c1	 
CC(=O)Nc1ccc(-n2c(C)cc(C=O)c2C)cc1	ZINC000000333959	60/95/45/169609545	JVRKQCGWJOLYKE-UHFFFAOYSA-N	0	256.305	CF	2.865	0	Clean	ref	CFCARN	CC(=O)Nc1ccc(-n2c(C)cc(C=O)c2C)cc1	 
CC(=O)c1sccc1I	ZINC000000334119	60/95/50/169609550	ZLAYWIOYHXDYKT-UHFFFAOYSA-N	0	252.076	CF	2.555	0	Anodyne	ref	CFAARN	CC(=O)c1sccc1I	 
Cc1sc(C=O)c(I)c1C	ZINC000000334211	07/25/11/294072511	KFYPBSZDWSZNFV-UHFFFAOYSA-N	0	266.103	CF	2.782	0	Anodyne	ref	CFAARN	Cc1sc(C=O)c(I)c1C	 
Cc1sc(C)c(C=O)c1I	ZINC000000334212	07/26/47/294072647	NPZMWQSVSOCZKC-UHFFFAOYSA-N	0	266.103	CF	2.782	0	Anodyne	ref	CFAARN	Cc1sc(C)c(C=O)c1I	 
COC(=O)/C=C/c1cc(Br)sc1[N+](=O)[O-]	ZINC000000334247	60/96/29/169609629	OKOQQTYPULZYFL-NSCUHMNNSA-N	0	292.11	CF	2.605	0	Bother	ref	CFBARN	COC(=O)/C=C/c1cc(Br)sc1[N+](=O)[O-]	 
COC(=O)c1c(C)sc(C)c1I	ZINC000000334291	51/24/28/284512428	MXYCBHVUPFKWMY-UHFFFAOYSA-N	0	296.129	CF	2.756	0	Anodyne	ref	CFAARN	COC(=O)c1c(C)sc(C)c1I	 
CCOC(=O)c1c(C)oc(C)c1I	ZINC000000334448	58/98/28/371589828	PXSKMOPPPFTPAA-UHFFFAOYSA-N	0	294.088	CF	2.678	0	Anodyne	ref	CFAARN	CCOC(=O)c1c(C)oc(C)c1I	 
CO/C=C(/C)C(=O)Oc1ccc(Br)cc1C=O	ZINC000000334617	58/91/68/371589168	QNCJSJWMONHYRE-FPLPWBNLSA-N	0	299.12	CF	2.717	0	Anodyne	ref	CFAARN	CO/C=C(/C)C(=O)Oc1ccc(Br)cc1C=O	 
N#Cc1cc(Br)c(O)c(Br)c1	ZINC000000334873	17/92/88/303179288	UPMXNNIRAGDFEH-UHFFFAOYSA-N	-1	276.915	CF	2.789	0	Mild	ref	CFEARM	N#Cc1cc(Br)c([O-])c(Br)c1	in-vitro
Oc1c(Br)cccc1Br	ZINC000000334875	58/89/61/371588961	SSIZLKDLDKIHEV-UHFFFAOYSA-N	0	251.905	CF	2.917	2	Anodyne	low	CFAALN	Oc1c(Br)cccc1Br	in-man endogenous
Oc1c(Br)cccc1Br	ZINC000000334875	58/89/39/371588939	SSIZLKDLDKIHEV-UHFFFAOYSA-N	-1	251.905	CF	2.917	0	Anodyne	ref	CFAARM	[O-]c1c(Br)cccc1Br	in-man endogenous
O=Cc1cccnc1SCC(=O)c1ccccc1	ZINC000000334895	58/94/28/371589428	PWLPEHDEYWKNOL-UHFFFAOYSA-N	0	257.314	CF	2.869	0	Anodyne	ref	CFAARN	O=Cc1cccnc1SCC(=O)c1ccccc1	 
Cc1cc(CC(=O)O)c2oc(-c3ccoc3)cc(=O)c2c1	ZINC000000335100	60/99/71/169609971	MNVYUEDZETZIJA-UHFFFAOYSA-N	-1	284.267	CF	2.989	0	Anodyne	ref	CFAARM	Cc1cc(CC(=O)[O-])c2oc(-c3ccoc3)cc(=O)c2c1	 
COc1ccc(C=O)cc1COc1ccc(C#N)cc1	ZINC000000335391	58/92/99/371589299	CPIXHAGRFHZALO-UHFFFAOYSA-N	0	267.284	CF	2.958	0	Mild	ref	CFEARN	COc1ccc(C=O)cc1COc1ccc(C#N)cc1	 
CCOc1cc(C=O)c(Br)cc1OC	ZINC000000335429	58/90/10/371589010	YUXVFHKEALFFSX-UHFFFAOYSA-N	0	259.099	CF	2.669	0	Anodyne	ref	CFAARN	CCOc1cc(C=O)c(Br)cc1OC	 
COc1cc(C=O)ccc1OCc1ccc(C(=O)O)cc1	ZINC000000335664	58/95/15/371589515	WOOGBMNGPIUDQL-UHFFFAOYSA-N	-1	286.283	CF	2.785	0	Anodyne	ref	CFAARM	COc1cc(C=O)ccc1OCc1ccc(C(=O)[O-])cc1	 
Cc1cc(C=O)c(C)n1-c1ccc(N2CCOCC2)cc1	ZINC000000335768	52/55/34/134525534	PFOXQLZTWLCEMI-UHFFFAOYSA-N	0	284.359	CF	2.743	0	Clean	ref	CFCARN	Cc1cc(C=O)c(C)n1-c1ccc(N2CCOCC2)cc1	 
Cc1ccccc1NC(=O)COc1ccccc1C=O	ZINC000000336072	61/03/70/169610370	XUMPPPBHDOMGSD-UHFFFAOYSA-N	0	269.3	CF	2.825	0	Anodyne	ref	CFAARN	Cc1ccccc1NC(=O)COc1ccccc1C=O	 
COc1ccccc1NC(=O)COc1ccccc1C=O	ZINC000000336078	58/94/68/371589468	MLWBEHSDHYLMGJ-UHFFFAOYSA-N	0	285.299	CF	2.525	0	Anodyne	ref	CFAARN	COc1ccccc1NC(=O)COc1ccccc1C=O	 
COc1cc(OC)cc(C(=O)Oc2cccc(C=O)c2)c1	ZINC000000336157	58/94/20/371589420	UVHUMURGQNULMI-UHFFFAOYSA-N	0	286.283	CF	2.736	0	Anodyne	ref	CFAARN	COc1cc(OC)cc(C(=O)Oc2cccc(C=O)c2)c1	 
O=Cc1ccc(OC(=O)Cc2ccc(F)cc2)cc1	ZINC000000336166	61/01/76/169610176	OIXBNNBBJPAODG-UHFFFAOYSA-N	0	258.248	CF	2.786	0	Anodyne	ref	CFAARN	O=Cc1ccc(OC(=O)Cc2ccc(F)cc2)cc1	 
COc1cccc(C=O)c1OC(=O)Cc1ccc(F)cc1	ZINC000000336168	59/00/36/371590036	OWARMCOOIILUFX-UHFFFAOYSA-N	0	288.274	CF	2.795	0	Anodyne	ref	CFAARN	COc1cccc(C=O)c1OC(=O)Cc1ccc(F)cc1	 
Nc1cc(Oc2ccc(Cl)cc2Cl)nc(N)n1	ZINC000000336203	58/96/69/371589669	JCKMRGRBJIGNON-UHFFFAOYSA-N	1	271.107	CF	2.74	2	Anodyne	low	CFAALO	Nc1cc(Oc2ccc(Cl)cc2Cl)nc(N)[nH+]1	 
Nc1cc(Oc2ccc(Cl)cc2Cl)nc(N)n1	ZINC000000336203	58/96/59/371589659	JCKMRGRBJIGNON-UHFFFAOYSA-N	0	271.107	CF	2.74	0	Anodyne	ref	CFAARN	Nc1cc(Oc2ccc(Cl)cc2Cl)nc(N)n1	 
N#Cc1c(N2C(=O)C=CC2=O)sc2c1CCCCCC2	ZINC000000336232	61/03/49/169610349	QEWFLTZOTKTFAZ-UHFFFAOYSA-N	0	286.356	CF	2.708	0	Mild	ref	CFEARN	N#Cc1c(N2C(=O)C=CC2=O)sc2c1CCCCCC2	 
CN(C)C(=S)c1ccccc1I	ZINC000000336258	03/49/24/289034924	WFDNFQLYNVLTIN-UHFFFAOYSA-N	0	291.157	CF	2.528	0	Anodyne	ref	CFAARN	CN(C)C(=S)c1ccccc1I