COC(=O)/C(=C/C(C)=C/c1cc(C(=O)OC)nc(O)n1)OC	ZINC000009435255	80/97/01/406809701	RRUZJNKZGBWDJR-CZDIAPPSSA-N	0	308.29	DD	1.075	0	Anodyne	ref	DDAARN	COC(=O)C(=CC(C)=Cc1cc(C(=O)OC)nc(=O)[nH]1)OC	 
Cc1ccc(-c2cc(C(=O)O)nn2[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000011801575	83/04/48/406830448	PLNNWSWSDKVVIY-GFCCVEGCSA-N	-1	320.37	DD	1.916	0	Anodyne	ref	DDAARM	Cc1ccc(-c2cc(C(=O)[O-])nn2[C@@H]2CCS(=O)(=O)C2)cc1	 
Cc1ccc(-c2cc(C(=O)O)nn2[C@H]2CCS(=O)(=O)C2)cc1	ZINC000011801577	83/08/63/406830863	PLNNWSWSDKVVIY-LBPRGKRZSA-N	-1	320.37	DD	1.916	0	Anodyne	ref	DDAARM	Cc1ccc(-c2cc(C(=O)[O-])nn2[C@H]2CCS(=O)(=O)C2)cc1	 
CCOC(=O)c1c[nH]c(C(N)=O)c1-c1ccc([N+](=O)[O-])cc1	ZINC000011919381	14/63/52/352146352	XNZWLLZZNJYEEE-UHFFFAOYSA-N	0	303.274	DD	1.865	0	Bother	ref	DDBBRN	CCOC(=O)c1c[nH]c(C(N)=O)c1-c1ccc([N+](=O)[O-])cc1	 
O=C(O)Cn1cc(-c2ccc(Br)cc2)ncc1=O	ZINC000011920668	83/24/98/406832498	JEVHJICSXUHQEH-UHFFFAOYSA-N	-1	309.119	DD	1.757	0	Anodyne	ref	DDAARM	O=C([O-])Cn1cc(-c2ccc(Br)cc2)ncc1=O	 
COc1ccc(-c2cc(N)n([C@@H]3CCS(=O)(=O)C3)n2)cc1	ZINC000012243765	74/40/15/181744015	FPWZMCROLKJZHA-LLVKDONJSA-N	0	307.375	DD	1.501	0	Anodyne	ref	DDAARN	COc1ccc(-c2cc(N)n([C@@H]3CCS(=O)(=O)C3)n2)cc1	 
COc1ccc(-c2cc(N)n([C@H]3CCS(=O)(=O)C3)n2)cc1	ZINC000012243767	84/08/33/406840833	FPWZMCROLKJZHA-NSHDSACASA-N	0	307.375	DD	1.501	0	Anodyne	ref	DDAARN	COc1ccc(-c2cc(N)n([C@H]3CCS(=O)(=O)C3)n2)cc1	 
COc1cccc2c1N=C(NC(=O)c1cccnc1)N1CCN=C21	ZINC000021948304	17/58/85/352175885	OHJFOHABJNLWCY-UHFFFAOYSA-N	0	321.34	DD	1.583	0	Anodyne	ref	DDABRN	COc1cccc2c1N=C(NC(=O)c1cccnc1)N1CCN=C21	 
N#Cc1c(N)cc(N)nc1N1CCN(c2ccc(F)cc2)CC1	ZINC000044018795	37/88/26/352378826	MSRYJEAUYNJQQI-UHFFFAOYSA-N	0	312.352	DD	1.583	1	Mild	mid	DDEBMN	N#Cc1c(N)cc(N)nc1N1CCN(c2ccc(F)cc2)CC1	 
N#Cc1c(N)cc(N)nc1N1CCN(c2ccc(F)cc2)CC1	ZINC000044018795	37/88/19/352378819	MSRYJEAUYNJQQI-UHFFFAOYSA-N	1	312.352	DD	1.583	0	Mild	ref	DDEBRO	N#Cc1c(N)cc(N)[nH+]c1N1CCN(c2ccc(F)cc2)CC1	 
N#Cc1c(N)cc(N)nc1N1CCN(Cc2ccccc2)CC1	ZINC000044018797	37/90/66/352379066	CCTHUYRKZSWOJZ-UHFFFAOYSA-N	2	308.389	DD	1.44	2	Mild	low	DDEBLP	N#Cc1c(N)cc(N)[nH+]c1N1CC[NH+](Cc2ccccc2)CC1	 
N#Cc1c(N)cc(N)nc1N1CCN(Cc2ccccc2)CC1	ZINC000044018797	37/90/64/352379064	CCTHUYRKZSWOJZ-UHFFFAOYSA-N	1	308.389	DD	1.44	1	Mild	mid	DDEBMO	N#Cc1c(N)cc(N)nc1N1CC[NH+](Cc2ccccc2)CC1	 
N#Cc1c(N)cc(N)nc1N1CCN(Cc2ccccc2)CC1	ZINC000044018797	37/90/63/352379063	CCTHUYRKZSWOJZ-UHFFFAOYSA-N	0	308.389	DD	1.44	0	Mild	ref	DDEBRN	N#Cc1c(N)cc(N)nc1N1CCN(Cc2ccccc2)CC1	 
CCOC(=O)C(=O)/C(=C/c1ccc(OC)cc1)C(=O)OCC	ZINC000044018829	37/90/45/352379045	GLEFFBRKLPMZFG-RAXLEYEMSA-N	0	306.314	DD	1.774	0	Mild	ref	DDEBRN	CCOC(=O)C(=O)/C(=C/c1ccc(OC)cc1)C(=O)OCC	 
O=C(O)c1cn(-c2ccc(OC(F)(F)F)cc2)c(O)nc1=O	ZINC000317148766	50/86/64/354508664	BWVBGVUDIYBTIQ-UHFFFAOYSA-N	-1	316.191	DD	1.535	0	Anodyne	ref	DDABRM	O=C([O-])c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)[nH]c1=O	 
N#Cc1cn([C@H](Cc2c[nH]c3ccccc23)C(=O)O)c(=O)nc1O	ZINC000585090166	91/94/91/483919491	LDWBGYPEMXIARV-CYBMUJFWSA-N	-2	324.296	DD	1.17	0	Mild	ref	DDEBRL	N#Cc1cn([C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c(=O)[n-]c1=O	 
N#Cc1cn([C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c(=O)nc1O	ZINC000585090167	91/90/22/483919022	LDWBGYPEMXIARV-ZDUSSCGKSA-N	-2	324.296	DD	1.17	0	Mild	ref	DDEBRL	N#Cc1cn([C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c(=O)[n-]c1=O