COc1ccc(CCNC[C@H](O)COc2cccc(C)c2)cc1OC	ZINC000001542891	39/39/45/471393945	HXLAFSUPPDYFEO-KRWDZBQOSA-N	1	345.439	EF	2.584	0	Anodyne	ref	EFAARO	COc1ccc(CC[NH2+]C[C@H](O)COc2cccc(C)c2)cc1OC	world
COc1ccc(CCNC[C@@H](O)COc2cccc(C)c2)cc1OC	ZINC000001719652	39/68/36/471396836	HXLAFSUPPDYFEO-QGZVFWFLSA-N	1	345.439	EF	2.584	0	Anodyne	ref	EFAARO	COc1ccc(CC[NH2+]C[C@@H](O)COc2cccc(C)c2)cc1OC	world
CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)O	ZINC000002244130	40/41/31/471404131	FBUDYESOPLBQIR-NSHDSACASA-N	-1	344.205	EF	2.97	0	Anodyne	ref	EFAARM	CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)[O-]	 
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O	ZINC000002560864	41/09/32/471410932	ULNOXUAEIPUJMK-NSHDSACASA-N	-1	344.205	EF	2.97	0	Anodyne	ref	EFAARM	CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)[O-]	 
Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1	ZINC000002570817	41/10/83/471411083	ZBPLOVFIXSTCRZ-UHFFFAOYSA-N	-1	334.169	EF	2.889	0	Anodyne	ref	EFAARM	Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1	fda
CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000004097110	11/88/51/210118851	CXDWHYOBSJTRJU-SRWWVFQWSA-N	0	346.467	EF	2.809	0	Mild	ref	EFEARN	CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	in-vitro
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	ZINC000004212832	09/83/51/277098351	KQZSMOGWYFPKCH-UJPCIWJBSA-N	0	344.451	EF	2.585	0	Mild	ref	EFEBRN	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	in-man
COc1ccc2nc([S@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1	ZINC000004693574	24/97/19/210249719	SUBDBMMJDZJVOS-DEOSSOPVSA-N	0	345.424	EF	2.9	1	Anodyne	mid	EFAAMN	COc1ccc2nc([S@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1	fda biogenic
COc1ccc2nc([S@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1	ZINC000004693574	24/97/15/210249715	SUBDBMMJDZJVOS-DEOSSOPVSA-N	0	345.424	EF	2.9	0	Anodyne	ref	EFAARN	COc1ccc2[nH]c([S@](=O)Cc3ncc(C)c(OC)c3C)nc2c1	fda biogenic
COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1	ZINC000004693575	24/94/51/210249451	SUBDBMMJDZJVOS-XMMPIXPASA-N	0	345.424	EF	2.9	1	Anodyne	mid	EFAAMN	COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1	fda
COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1	ZINC000004693575	24/94/47/210249447	SUBDBMMJDZJVOS-XMMPIXPASA-N	0	345.424	EF	2.9	0	Anodyne	ref	EFAARN	COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2c1	fda
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O	ZINC000004760080	27/17/59/210271759	FBVSXKMMQOZUNU-NSHDSACASA-N	-1	346.424	EF	2.659	0	Anodyne	ref	EFAARM	CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	 
C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@@]2(C)[C@H](C(=O)CO)CC[C@H]12	ZINC000008580676	69/60/03/471696003	OMFXVFTZEKFJBZ-QWVKJRFASA-N	0	346.467	EF	2.667	0	Anodyne	ref	EFAARN	C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@@]2(C)[C@H](C(=O)CO)CC[C@H]12	 
CC(C)CN/C(O)=N/S(=O)(=O)c1cnccc1Nc1ccccc1	ZINC000021984235	26/77/54/212267754	ZRXHMFXZUAUNLM-UHFFFAOYSA-N	0	348.428	EF	2.674	2	Mild	low	EFEALN	CC(C)CNC(O)=NS(=O)(=O)c1cnccc1Nc1ccccc1	 
CC(C)CN/C(O)=N/S(=O)(=O)c1cnccc1Nc1ccccc1	ZINC000021984235	26/77/51/212267751	ZRXHMFXZUAUNLM-UHFFFAOYSA-N	0	348.428	EF	2.674	1	Mild	mid	EFEAMN	CC(C)CNC(=O)N=S(=O)([O-])c1c[nH+]ccc1Nc1ccccc1	 
CC(C)CN/C(O)=N/S(=O)(=O)c1cnccc1Nc1ccccc1	ZINC000021984235	26/77/47/212267747	ZRXHMFXZUAUNLM-UHFFFAOYSA-N	-1	348.428	EF	2.674	1	Mild	mid	EFEAMM	CC(C)CNC(=O)N=S(=O)([O-])c1cnccc1Nc1ccccc1	 
CC(C)CN/C(O)=N/S(=O)(=O)c1cnccc1Nc1ccccc1	ZINC000021984235	26/77/44/212267744	ZRXHMFXZUAUNLM-UHFFFAOYSA-N	-1	348.428	EF	2.674	1	Mild	mid	EFEAMM	CC(C)CNC([O-])=NS(=O)(=O)c1cnccc1Nc1ccccc1	 
CC(C)CN/C(O)=N/S(=O)(=O)c1cnccc1Nc1ccccc1	ZINC000021984235	26/77/40/212267740	ZRXHMFXZUAUNLM-UHFFFAOYSA-N	-1	348.428	EF	2.674	0	Mild	ref	EFEARM	CC(C)CNC(=O)[N-]S(=O)(=O)c1cnccc1Nc1ccccc1	 
CC(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000022053590	27/44/43/212274443	NVEPLQDORJSXRO-DLBZAZTESA-N	1	336.476	EF	2.729	0	Anodyne	ref	EFAARO	CC(C)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	in-vitro
N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	ZINC000035052107	28/55/25/202285525	DHQUQYYPAWHGAR-KRWDZBQOSA-N	1	327.38	EF	2.581	1	Anodyne	mid	EFAAMO	[NH3+][C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	 
N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	ZINC000035052107	28/55/20/202285520	DHQUQYYPAWHGAR-KRWDZBQOSA-N	0	327.38	EF	2.581	0	Anodyne	ref	EFAARN	N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	 
COC(=O)c1ccc(Br)cc1I	ZINC000069589408	42/64/89/277426489	VAYKANWZAJRNOM-UHFFFAOYSA-N	0	340.942	EF	2.84	0	Anodyne	ref	EFAARN	COC(=O)c1ccc(Br)cc1I	 
CC(C)CNC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000071606592	55/33/00/472553300	NVEPLQDORJSXRO-IRXDYDNUSA-N	1	336.476	EF	2.729	0	Anodyne	ref	EFABRO	CC(C)C[NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	 
C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1C2=O)[C@H]1C[C@H]1[C@]1(O)C[C@@H](O)CC[C@]31C	ZINC000072399748	21/33/28/203213328	GWUFXQIQXPASJU-VJWUOOCFSA-N	0	330.468	EF	2.786	0	Anodyne	ref	EFAARN	C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1C2=O)[C@H]1C[C@H]1[C@]1(O)C[C@@H](O)CC[C@]31C	 
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO	ZINC000245190540	57/10/70/474571070	OMFXVFTZEKFJBZ-DGONOLKGSA-N	0	346.467	EF	2.667	0	Mild	ref	EFEARN	C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO	 
C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO	ZINC000245190541	87/53/35/300875335	OMFXVFTZEKFJBZ-DYYHUOPESA-N	0	346.467	EF	2.667	0	Mild	ref	EFEARN	C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO	 
C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@@]2(C)[C@H](C(=O)CO)CC[C@H]12	ZINC000253537545	76/29/46/474762946	OMFXVFTZEKFJBZ-DNWZOHJTSA-N	0	346.467	EF	2.667	0	Mild	ref	EFEARN	C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@@]2(C)[C@H](C(=O)CO)CC[C@H]12