COc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)cc1OC	ZINC000000006865	54/90/14/208549014	ONMHFSWEICUVPJ-CSKARUKUSA-N	0	326.352	EE	2.455	0	Anodyne	ref	EEAARN	COc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)cc1OC	 
CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1	ZINC000000035578	54/00/93/462540093	GYQZHFIHDHERJS-UHFFFAOYSA-N	-1	346.408	EE	2.083	0	Anodyne	ref	EEAARM	CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1	 
COc1ccccc1OCC(=O)Nc1sc(C)c(C)c1C(N)=O	ZINC000000038397	54/04/96/462540496	GZOSNGGAEDHRQU-UHFFFAOYSA-N	0	334.397	EE	2.49	0	Anodyne	ref	EEAARN	COc1ccccc1OCC(=O)Nc1sc(C)c(C)c1C(N)=O	 
COC(=O)CCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2	ZINC000000038900	77/90/30/283779030	HCCPEWLYJKJJEC-UHFFFAOYSA-N	0	325.386	EE	2.305	0	Clean	ref	EECARN	COC(=O)CCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2	 
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)no1	ZINC000000048569	38/90/63/209389063	MKXVDSQYIYFXGF-UHFFFAOYSA-N	0	349.29	EE	2.285	2	Anodyne	low	EEAALN	Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)no1	 
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)no1	ZINC000000048569	38/90/56/209389056	MKXVDSQYIYFXGF-UHFFFAOYSA-N	-1	349.29	EE	2.285	0	Anodyne	ref	EEAARM	Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)no1	 
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)OC)cc2)s1	ZINC000000049150	54/07/64/462540764	HMNDTWGMDYIPIJ-UHFFFAOYSA-N	0	342.402	EE	2.08	2	Anodyne	low	EEAALN	CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)OC)cc2)s1	 
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)OC)cc2)s1	ZINC000000049150	54/07/58/462540758	HMNDTWGMDYIPIJ-UHFFFAOYSA-N	-1	342.402	EE	2.08	0	Anodyne	ref	EEAARM	CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)OC)cc2)s1	 
Cc1c(Cc2ccccc2)sc(NC(=O)/C=C/C(=O)O)c1C(N)=O	ZINC000000055659	54/04/81/462540481	OYZWZOGITJLXPV-BQYQJAHWSA-N	-1	344.392	EE	2.326	0	Anodyne	ref	EEAARM	Cc1c(Cc2ccccc2)sc(NC(=O)/C=C/C(=O)[O-])c1C(N)=O	 
CN1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2F)CC1	ZINC000000061447	39/39/68/209393968	CQXQDJGFEWCPAW-UHFFFAOYSA-N	1	341.386	EE	2.466	2	Anodyne	low	EEAALO	C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2F)CC1	 
CN1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2F)CC1	ZINC000000061447	39/39/63/209393963	CQXQDJGFEWCPAW-UHFFFAOYSA-N	0	341.386	EE	2.466	0	Anodyne	ref	EEAARN	CN1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2F)CC1	 
Cc1ccc(S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)cc1	ZINC000000072731	54/10/24/462541024	KWRCUTAKWPJSHA-UHFFFAOYSA-N	0	332.425	EE	2.061	0	Anodyne	ref	EEAARN	Cc1ccc(S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)cc1	 
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1	ZINC000000081994	54/14/15/462541415	OHXNTLSXBARVRP-UHFFFAOYSA-N	0	333.413	EE	2.364	0	Anodyne	ref	EEAARN	CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1	 
COc1ccc(/C=C/C(=O)Nc2ccc(C(N)=O)cc2)cc1OC	ZINC000000116211	54/27/07/462542707	INQBZYLHWWQYLR-ONNFQVAWSA-N	0	326.352	EE	2.455	0	Anodyne	ref	EEAARN	COc1ccc(/C=C/C(=O)Nc2ccc(C(N)=O)cc2)cc1OC	 
COc1cc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc(OC)c1OC	ZINC000000116460	54/28/08/462542808	DHORTVBPLYGEIF-KEBDBYFISA-N	0	341.367	EE	2.245	0	Mild	ref	EEEARN	COc1cc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc(OC)c1OC	 
COc1cc(/C=N/n2c(C)cc(C)c(C#N)c2=O)ccc1OC(C)=O	ZINC000000116532	43/15/85/209431585	FRTWQPZSQRUGSM-KEBDBYFISA-N	0	339.351	EE	2.153	0	Mild	ref	EEEARN	COc1cc(/C=N/n2c(C)cc(C)c(C#N)c2=O)ccc1OC(C)=O	 
CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000000121207	54/30/57/462543057	YNJQNZHJCLLYOD-UHFFFAOYSA-N	-1	335.341	EE	2.354	1	Bother	mid	EEBAMM	CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1	 
CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000000121207	54/30/52/462543052	YNJQNZHJCLLYOD-UHFFFAOYSA-N	0	335.341	EE	2.354	0	Bother	ref	EEBARN	CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1	 
COC(=O)CCC(=O)Nc1ccc(I)cc1	ZINC000000125546	43/68/86/209436886	FXNMLFQQBBSBSH-UHFFFAOYSA-N	0	333.125	EE	2.183	0	Anodyne	ref	EEAARN	COC(=O)CCC(=O)Nc1ccc(I)cc1	 
CC(=O)NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1	ZINC000000142067	54/37/76/462543776	KMLRYXQYXFFCOC-UHFFFAOYSA-N	-1	333.369	EE	2.155	0	Anodyne	ref	EEAARM	CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1	 
Cc1ccc(OC(=O)CCC(=O)Nc2ccc(C(N)=O)cc2)cc1	ZINC000000142332	44/65/81/209446581	FTLJTUATJQSEQG-UHFFFAOYSA-N	0	326.352	EE	2.418	0	Anodyne	ref	EEAARN	Cc1ccc(OC(=O)CCC(=O)Nc2ccc(C(N)=O)cc2)cc1	 
NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1	ZINC000000143346	44/82/18/209448218	VUDOFEJVAFMLEC-UHFFFAOYSA-N	0	325.39	EE	2.282	0	Anodyne	ref	EEAARN	NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1	 
O=S(=O)(c1ccc(/N=C/c2ccccc2O)cc1)N1CCOCC1	ZINC000000173955	54/53/12/462545312	IJCSHPWRLJYCBF-QGOAFFKASA-N	-1	346.408	EE	2.164	3	Mild	high	EEEAHM	O=S(=O)(c1ccc(/N=C/c2ccccc2[O-])cc1)N1CCOCC1	 
O=S(=O)(c1ccc(/N=C/c2ccccc2O)cc1)N1CCOCC1	ZINC000000173955	54/53/00/462545300	IJCSHPWRLJYCBF-QGOAFFKASA-N	0	346.408	EE	2.164	0	Mild	ref	EEEARN	O=S(=O)(c1ccc(/N=C/c2ccccc2O)cc1)N1CCOCC1	 
COc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1OC(C)=O	ZINC000000251036	55/14/01/462551401	VUQPCLIZTUQZEU-VXLYETTFSA-N	0	338.319	EE	2.251	0	Mild	ref	EEEARN	COc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1OC(C)=O	 
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(F)(F)F	ZINC000000287924	55/28/70/462552870	STJNAOCLAZEOSB-UHFFFAOYSA-N	0	336.335	EE	2.362	0	Anodyne	ref	EEAARN	O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(F)(F)F	 
CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	ZINC000000294381	55/32/55/462553255	QKMCRLJAHIEHHP-UHFFFAOYSA-N	-1	347.396	EE	2.404	1	Anodyne	mid	EEAAMM	CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	 
CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	ZINC000000294381	55/32/48/462553248	QKMCRLJAHIEHHP-UHFFFAOYSA-N	0	347.396	EE	2.404	0	Anodyne	ref	EEAARN	CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	 
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)n1	ZINC000000309428	51/72/65/262517265	ADUZWXYEKUCENY-UHFFFAOYSA-N	0	346.412	EE	2.243	1	Anodyne	mid	EEAAMN	Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)n1	 
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)n1	ZINC000000309428	51/72/64/262517264	ADUZWXYEKUCENY-UHFFFAOYSA-N	-1	346.412	EE	2.243	0	Anodyne	ref	EEAARM	Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)n1	 
NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1	ZINC000000357391	55/58/22/462555822	XWHHGWDIHCSSJQ-UHFFFAOYSA-N	0	340.788	EE	2.005	0	Anodyne	ref	EEAARN	NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1	 
CCOC(=O)/C(C#N)=N/Nc1ccc(I)cc1	ZINC000000358193	46/36/11/201463611	XZONIVBHDUGRDS-XNTDXEJSSA-N	0	343.124	EE	2.146	0	Mild	ref	EEEARN	CCOC(=O)C(C#N)=NNc1ccc(I)cc1	 
Cc1ccc(C(=O)N2CCOCC2)cc1I	ZINC000000358787	55/59/31/462555931	HEWDRTQOJPVENK-UHFFFAOYSA-N	0	331.153	EE	2.072	0	Anodyne	ref	EEAARN	Cc1ccc(C(=O)N2CCOCC2)cc1I	 
O=C(NC(=S)Nc1cccc(CO)c1)c1ccccc1[N+](=O)[O-]	ZINC000000358848	46/37/89/201463789	DEODCVOYNPMTDX-UHFFFAOYSA-N	0	331.353	EE	2.214	0	Bother	ref	EEBARN	O=C(NC(=S)Nc1cccc(CO)c1)c1ccccc1[N+](=O)[O-]	 
O=C(COc1ccccc1)NC(=S)Nc1cccc([N+](=O)[O-])c1	ZINC000000358863	55/63/63/462556363	FFJXNBUWSZVOJO-UHFFFAOYSA-N	0	331.353	EE	2.487	0	Bother	ref	EEBARN	O=C(COc1ccccc1)NC(=S)Nc1cccc([N+](=O)[O-])c1	 
NC(=O)c1ccccc1NC(=S)NC(=O)CCc1ccccc1	ZINC000000358869	55/58/39/462555839	DCEBIZOTKFOQPV-UHFFFAOYSA-N	0	327.409	EE	2.231	0	Anodyne	ref	EEAARN	NC(=O)c1ccccc1NC(=S)NC(=O)CCc1ccccc1	 
COc1ccc(CC(=O)NC(=S)Nc2cccc(CO)c2)cc1	ZINC000000358884	55/61/78/462556178	FUQRRUYZPRICRW-UHFFFAOYSA-N	0	330.409	EE	2.243	0	Anodyne	ref	EEAARN	COc1ccc(CC(=O)NC(=S)Nc2cccc(CO)c2)cc1	 
CCN(CC)C(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000000358887	55/62/13/462556213	OVQAPAROTWQIQK-UHFFFAOYSA-N	0	326.418	EE	2.069	0	Anodyne	ref	EEAARN	CCN(CC)C(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1	 
COc1ccc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)cc1	ZINC000000359028	55/62/22/462556222	QYNWXZQHLRYJIK-UHFFFAOYSA-N	0	334.397	EE	2.49	0	Anodyne	ref	EEAARN	COc1ccc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)cc1	 
COc1ccc(OCC(=O)NC(=S)Nc2cccc(CO)c2)cc1	ZINC000000359050	46/36/60/201463660	UZROFFPSHRTOKX-UHFFFAOYSA-N	0	346.408	EE	2.079	0	Anodyne	ref	EEAARN	COc1ccc(OCC(=O)NC(=S)Nc2cccc(CO)c2)cc1	 
CC(C)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000000359139	55/60/44/462556044	NVACMZDANBPPJR-UHFFFAOYSA-N	0	348.424	EE	2.475	0	Anodyne	ref	EEAARN	CC(C)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	 
COC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)c(Br)c1	ZINC000000359157	55/63/77/462556377	LJBZOOZWJLUSGF-NSHDSACASA-N	0	342.189	EE	2.235	0	Anodyne	ref	EEAARN	COC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)c(Br)c1	 
COC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)c(Br)c1	ZINC000000359158	55/60/95/462556095	LJBZOOZWJLUSGF-LLVKDONJSA-N	0	342.189	EE	2.235	0	Anodyne	ref	EEAARN	COC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)c(Br)c1	 
COc1cc(C(=O)NC(=S)N2CCCCC2)cc(OC)c1OC	ZINC000000502965	56/79/27/462567927	PGXLWVURWUIVPZ-UHFFFAOYSA-N	0	338.429	EE	2.213	0	Anodyne	ref	EEAARN	COc1cc(C(=O)NC(=S)N2CCCCC2)cc(OC)c1OC	 
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1	ZINC000000524878	56/87/09/462568709	BFTMWHMJQBIFQW-UHFFFAOYSA-N	-1	332.381	EE	2.072	0	Anodyne	ref	EEAARM	CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1	 
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1	ZINC000000524891	56/88/81/462568881	VGOKFRSXRVFLBJ-UHFFFAOYSA-N	-1	332.381	EE	2.072	0	Anodyne	ref	EEAARM	CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1	 
CC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1	ZINC000000529257	65/05/67/209650567	JWLQFUJCIUECHL-UHFFFAOYSA-N	0	348.424	EE	2.391	0	Anodyne	ref	EEAARN	CC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1	 
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1	ZINC000000556203	57/01/58/462570158	RZOJTLXUCSPWOW-UHFFFAOYSA-N	0	334.397	EE	2.198	0	Anodyne	ref	EEAARN	COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1	 
CC(C)c1ccccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000000587198	67/25/28/209672528	DIFHZCUDEWNDFJ-UHFFFAOYSA-N	0	348.424	EE	2.475	0	Anodyne	ref	EEAARN	CC(C)c1ccccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1	 
Cc1cc(OCC(=O)NN2C(=O)c3ccccc3C2=O)ccc1Cl	ZINC000000587215	57/17/18/462571718	QHTGFYNJJMVDRG-UHFFFAOYSA-N	-1	344.754	EE	2.355	3	Anodyne	high	EEAAHM	Cc1cc(OCC(=O)[N-]N2C(=O)c3ccccc3C2=O)ccc1Cl	 
Cc1cc(OCC(=O)NN2C(=O)c3ccccc3C2=O)ccc1Cl	ZINC000000587215	57/17/11/462571711	QHTGFYNJJMVDRG-UHFFFAOYSA-N	0	344.754	EE	2.355	0	Anodyne	ref	EEAARN	Cc1cc(OCC(=O)NN2C(=O)c3ccccc3C2=O)ccc1Cl	 
CC(=O)C(=NNc1ccc(I)cc1)C(C)=O	ZINC000000588074	57/11/44/462571144	PMCLSUJYKGOJRV-UHFFFAOYSA-N	0	330.125	EE	2.237	0	Mild	ref	EEEARN	CC(=O)C(=NNc1ccc(I)cc1)C(C)=O	 
CC(=O)N(C)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000000588302	57/16/04/462571604	VVNRHUURYJORLB-UHFFFAOYSA-N	0	349.368	EE	2.378	2	Bother	low	EEBALN	CC(=O)N(C)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	 
CC(=O)N(C)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000000588302	57/15/96/462571596	VVNRHUURYJORLB-UHFFFAOYSA-N	-1	349.368	EE	2.378	0	Bother	ref	EEBARM	CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	 
COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1	ZINC000000612452	57/19/87/462571987	WVKMPINZUVLCQA-UHFFFAOYSA-N	0	348.424	EE	2.127	0	Anodyne	ref	EEAARN	COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1	 
COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000000612610	67/78/02/209677802	WOZZVUHZUKKMOS-UHFFFAOYSA-N	0	334.397	EE	2.198	0	Anodyne	ref	EEAARN	COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1	 
CC(C)NC(=S)NC(=O)c1ccccc1I	ZINC000000615364	57/26/66/462572666	FMALOUDMZDWFBV-UHFFFAOYSA-N	0	348.209	EE	2.304	0	Anodyne	ref	EEAARN	CC(C)NC(=S)NC(=O)c1ccccc1I	 
CC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1	ZINC000001003783	57/44/77/462574477	CDBMRWUWCWRHQI-UHFFFAOYSA-N	-1	349.437	EE	2.32	1	Anodyne	mid	EEAAMM	CC(=O)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	 
CC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1	ZINC000001003783	57/44/67/462574467	CDBMRWUWCWRHQI-UHFFFAOYSA-N	0	349.437	EE	2.32	0	Anodyne	ref	EEAARN	CC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1	 
O=C(O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1	ZINC000001926500	58/79/35/462587935	KHFYTRJCBYKDMD-GOSISDBHSA-N	-1	338.407	EE	2.094	1	Anodyne	mid	EEAAMM	O=C([O-])C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1	 
O=C(O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1	ZINC000001926500	58/79/30/462587930	KHFYTRJCBYKDMD-GOSISDBHSA-N	-1	338.407	EE	2.094	1	Anodyne	mid	EEAAMM	O=C([O-])C[C@@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1	 
O=C(O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1	ZINC000001926500	58/79/27/462587927	KHFYTRJCBYKDMD-GOSISDBHSA-N	0	338.407	EE	2.094	0	Anodyne	ref	EEAARN	O=C([O-])C[C@@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1	 
O=C(O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1	ZINC000001926502	58/74/05/462587405	KHFYTRJCBYKDMD-SFHVURJKSA-N	-1	338.407	EE	2.094	1	Anodyne	mid	EEAAMM	O=C([O-])C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1	 
O=C(O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1	ZINC000001926502	58/74/02/462587402	KHFYTRJCBYKDMD-SFHVURJKSA-N	-1	338.407	EE	2.094	1	Anodyne	mid	EEAAMM	O=C([O-])C[C@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1	 
O=C(O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1	ZINC000001926502	58/73/87/462587387	KHFYTRJCBYKDMD-SFHVURJKSA-N	0	338.407	EE	2.094	0	Anodyne	ref	EEAARN	O=C([O-])C[C@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1	ZINC000001926545	58/80/04/462588004	QMXLVXPZJKDIPZ-QGZVFWFLSA-N	0	340.379	EE	2.254	2	Anodyne	low	EEAALN	O=C([O-])C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1	ZINC000001926545	58/80/01/462588001	QMXLVXPZJKDIPZ-QGZVFWFLSA-N	0	340.379	EE	2.254	2	Anodyne	low	EEAALN	O=C([O-])C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(Oc2ccccc2)c1	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1	ZINC000001926545	58/79/96/462587996	QMXLVXPZJKDIPZ-QGZVFWFLSA-N	0	340.379	EE	2.254	0	Anodyne	ref	EEAARN	O=C([O-])C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1	ZINC000001926547	58/75/39/462587539	QMXLVXPZJKDIPZ-KRWDZBQOSA-N	0	340.379	EE	2.254	2	Anodyne	low	EEAALN	O=C([O-])C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1	ZINC000001926547	58/75/36/462587536	QMXLVXPZJKDIPZ-KRWDZBQOSA-N	0	340.379	EE	2.254	2	Anodyne	low	EEAALN	O=C([O-])C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(Oc2ccccc2)c1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1	ZINC000001926547	58/75/26/462587526	QMXLVXPZJKDIPZ-KRWDZBQOSA-N	0	340.379	EE	2.254	0	Anodyne	ref	EEAARN	O=C([O-])C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1	 
COc1ccc(C(=O)NC[C@H](C)NC(=O)c2ccc(OC)cc2)cc1	ZINC000002131866	58/99/53/462589953	LMKOMOCFTRJGBD-ZDUSSCGKSA-N	0	342.395	EE	2.252	0	Anodyne	ref	EEAARN	COc1ccc(C(=O)NC[C@H](C)NC(=O)c2ccc(OC)cc2)cc1	 
COc1ccc(C(=O)NC[C@@H](C)NC(=O)c2ccc(OC)cc2)cc1	ZINC000002131868	82/17/03/209821703	LMKOMOCFTRJGBD-CYBMUJFWSA-N	0	342.395	EE	2.252	0	Anodyne	ref	EEAARN	COc1ccc(C(=O)NC[C@@H](C)NC(=O)c2ccc(OC)cc2)cc1	 
Cc1sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C(N)=O)c1C	ZINC000002134759	52/49/58/201524958	XLMBEWGCNIDOHP-UHFFFAOYSA-N	0	349.368	EE	2.39	0	Bother	ref	EEBARN	Cc1sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C(N)=O)c1C	 
CC(C)C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000002134935	58/98/78/462589878	WKOWNEBAMSJGTK-UHFFFAOYSA-N	0	325.459	EE	2.195	0	Anodyne	ref	EEAARN	CC(C)C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCC2	 
COc1ccc(C(=O)NC(=S)NC(C)C)cc1Br	ZINC000002136279	59/04/62/462590462	MBVNCKWMUMLRFQ-UHFFFAOYSA-N	0	331.235	EE	2.47	0	Anodyne	ref	EEAARN	COc1ccc(C(=O)NC(=S)NC(C)C)cc1Br	 
COC(=O)c1c(NC(=S)NC(=O)C(C)C)sc2c1CCC2	ZINC000002137037	59/04/02/462590402	BLRFEZJVPPKLMC-UHFFFAOYSA-N	0	326.443	EE	2.492	0	Anodyne	ref	EEAARN	COC(=O)c1c(NC(=S)NC(=O)C(C)C)sc2c1CCC2	 
CCOC(=O)N1CCN(C(=O)COc2ccccc2Cl)CC1	ZINC000002551109	59/53/26/462595326	WKLAMFWOFLDNBJ-UHFFFAOYSA-N	0	326.78	EE	2.019	0	Anodyne	ref	EEAARN	CCOC(=O)N1CCN(C(=O)COc2ccccc2Cl)CC1	 
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1	ZINC000002619850	59/68/68/462596868	QZCBSHLVIOFCLJ-UHFFFAOYSA-N	0	333.413	EE	2.364	0	Anodyne	ref	EEAARN	CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1	 
Cc1sc(NC(=S)NC(=O)C2CCCC2)c(C(N)=O)c1C	ZINC000002707529	59/97/18/462599718	SXWNHLOMVGCPKG-UHFFFAOYSA-N	0	325.459	EE	2.467	0	Anodyne	ref	EEAARN	Cc1sc(NC(=S)NC(=O)C2CCCC2)c(C(N)=O)c1C	 
Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1	ZINC000002861618	60/50/66/462605066	URXLLOJHVOAANW-UHFFFAOYSA-N	0	348.424	EE	2.263	0	Anodyne	ref	EEAARN	Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1	 
C=CCNC(=S)NC(=O)c1ccccc1I	ZINC000002883684	93/65/16/209936516	RFVAGFAOEAODAD-UHFFFAOYSA-N	0	346.193	EE	2.082	0	Mild	ref	EEEARN	C=CCNC(=S)NC(=O)c1ccccc1I	 
NC(=O)c1c(NC(=S)NC(=O)c2ccco2)sc2c1CCCC2	ZINC000002997760	05/03/22/258050322	VDLHJDYGKRRZGA-UHFFFAOYSA-N	0	349.437	EE	2.446	0	Anodyne	ref	EEAARN	NC(=O)c1c(NC(=S)NC(=O)c2ccco2)sc2c1CCCC2	 
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccnc1	ZINC000003183183	61/16/99/462611699	OXACOIAUKIDTDF-UHFFFAOYSA-N	0	331.397	EE	2.118	0	Anodyne	ref	EEAARN	O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccnc1	 
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])cc1	ZINC000003832972	07/89/97/210078997	CXXWYBQCIBCFRI-UHFFFAOYSA-N	0	335.341	EE	2.354	2	Bother	low	EEBALN	CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])cc1	 
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])cc1	ZINC000003832972	07/89/91/210078991	CXXWYBQCIBCFRI-UHFFFAOYSA-N	-1	335.341	EE	2.354	0	Bother	ref	EEBARM	CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2[N+](=O)[O-])cc1	 
COC(=O)CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000004016406	10/03/05/210100305	YDZCQIMAACLIHK-UHFFFAOYSA-N	0	337.331	EE	2.354	0	Clean	ref	EECARN	COC(=O)CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	 
CCOC(=O)c1c(NC(=O)CCC(=O)OC)sc2c1CCC2	ZINC000004157073	62/96/57/462629657	JTYFFGSPDNJWSV-UHFFFAOYSA-N	0	325.386	EE	2.305	0	Clean	ref	EECARN	CCOC(=O)c1c(NC(=O)CCC(=O)OC)sc2c1CCC2	 
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1	ZINC000004393948	18/73/43/210187343	WRUFFFYQJLUSFN-UHFFFAOYSA-N	0	340.788	EE	2.005	0	Anodyne	ref	EEAARN	NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1	 
COC(=O)CCC(=O)Nc1ccccc1C(=O)NCc1ccco1	ZINC000004488447	63/30/91/462633091	DQXIILRIIZPBMT-UHFFFAOYSA-N	0	330.34	EE	2.101	0	Anodyne	ref	EEAARN	COC(=O)CCC(=O)Nc1ccccc1C(=O)NCc1ccco1	 
N#CC(C#N)=NNc1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000004662629	24/00/01/210240001	NAQOMYVBHRFVLX-UHFFFAOYSA-N	0	331.401	EE	2.066	0	Mild	ref	EEEARN	N#CC(C#N)=NNc1ccc(S(=O)(=O)N2CCCCCC2)cc1	 
CCOc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1	ZINC000004810748	28/31/16/210283116	CRCUBTVCCDBLHR-UHFFFAOYSA-N	0	328.368	EE	2.277	0	Anodyne	ref	EEAARN	CCOc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1	 
Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000004820375	28/74/78/210287478	RDTCMMCCWCMCAB-LBPRGKRZSA-N	0	334.397	EE	2.048	0	Anodyne	ref	EEAARN	Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	 
Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000004820376	28/77/37/210287737	RDTCMMCCWCMCAB-GFCCVEGCSA-N	0	334.397	EE	2.048	0	Anodyne	ref	EEAARN	Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	 
C=CCNS(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1	ZINC000004838961	95/77/09/518957709	BIXYHLZRRJKGMU-UHFFFAOYSA-N	0	346.408	EE	2.168	0	Mild	ref	EEEARN	C=CCNS(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1	 
Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1	ZINC000004856378	30/25/69/210302569	WKAJTWHVBIZBEV-LBPRGKRZSA-N	0	334.397	EE	2.048	0	Anodyne	ref	EEAARN	Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1	 
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1	ZINC000004856381	63/96/65/462639665	WKAJTWHVBIZBEV-GFCCVEGCSA-N	0	334.397	EE	2.048	0	Anodyne	ref	EEAARN	Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1	 
CCNC(=S)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1	ZINC000004858699	30/31/29/210303129	WCBCENIGXNSZLY-UHFFFAOYSA-N	0	341.502	EE	2.414	0	Anodyne	ref	EEAARN	CCNC(=S)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1	 
C=CCNS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1	ZINC000004866138	30/69/77/210306977	GWPGIRMBTHOMJP-UHFFFAOYSA-N	0	330.409	EE	2.332	0	Mild	ref	EEEARN	C=CCNS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1	 
C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2OC)cc1	ZINC000004866726	30/74/08/210307408	NEECLHXXSIOOAS-UHFFFAOYSA-N	0	346.408	EE	2.412	0	Mild	ref	EEEARN	C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2OC)cc1