CCOC(=O)Nc1ccccc1NC(=O)OCC	ZINC000000065312	52/21/32/371522132	XRVGYXSUXNKZBE-UHFFFAOYSA-N	0	252.27	CF	2.823	0	Anodyne	ref	CFAARN	CCOC(=O)Nc1ccccc1NC(=O)OCC	 
COc1cc2nc(Cl)nc(Cl)c2cc1OC	ZINC000002028663	39/58/11/277395811	DGHKCBSVAZXEPP-UHFFFAOYSA-N	0	259.092	CF	2.954	0	Anodyne	ref	CFAARN	COc1cc2nc(Cl)nc(Cl)c2cc1OC	in-vitro
C[C@@H]1CN(C(=O)c2ccccc2)c2ccccc2NC1=O	ZINC000004166087	83/77/09/371837709	LFJPUUDNDPSUCF-GFCCVEGCSA-N	0	280.327	CF	2.922	0	Anodyne	ref	CFAARN	C[C@@H]1CN(C(=O)c2ccccc2)c2ccccc2NC1=O	 
C[C@H]1CN(C(=O)c2ccccc2)c2ccccc2NC1=O	ZINC000004166088	83/82/94/371838294	LFJPUUDNDPSUCF-LBPRGKRZSA-N	0	280.327	CF	2.922	0	Anodyne	ref	CFAARN	C[C@H]1CN(C(=O)c2ccccc2)c2ccccc2NC1=O	 
O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccccc1	ZINC000011531819	92/12/72/371921272	HDAFTBJSHDZSEF-UHFFFAOYSA-N	0	298.733	CF	2.876	0	Anodyne	ref	CFAARN	O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccccc1	 
Cc1nn(-c2ccc(F)cc2F)c(Cl)c1C=O	ZINC000036905259	60/97/98/372609798	NZPVTMNIACZTCC-UHFFFAOYSA-N	0	256.639	CF	2.925	0	Anodyne	ref	CFABRN	Cc1nn(-c2ccc(F)cc2F)c(Cl)c1C=O	 
O=C(O)c1ccc(-c2cccc(Br)c2)[nH]c1=O	ZINC000038478114	14/21/91/174142191	SGAVPQIVNNYVCT-UHFFFAOYSA-N	-1	294.104	CF	2.503	0	Anodyne	ref	CFAARM	O=C([O-])c1ccc(-c2cccc(Br)c2)[nH]c1=O	 
O=C(O)c1ccc(-c2ccc(Br)cc2)[nH]c1=O	ZINC000038478120	23/02/57/304230257	LZQUMPLKIIOYFV-UHFFFAOYSA-N	-1	294.104	CF	2.503	0	Anodyne	ref	CFAARM	O=C([O-])c1ccc(-c2ccc(Br)cc2)[nH]c1=O	 
c1ccc(CCN2CCC([C@@H]3CCNC3)CC2)cc1	ZINC000071776405	22/29/29/374222929	PWIGMDODIDRUBJ-QGZVFWFLSA-N	2	258.409	CF	2.551	0	Anodyne	ref	CFAARP	c1ccc(CC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1	 
c1ccc(CCN2CCC([C@H]3CCNC3)CC2)cc1	ZINC000071776406	22/41/59/374224159	PWIGMDODIDRUBJ-KRWDZBQOSA-N	2	258.409	CF	2.551	0	Anodyne	ref	CFAARP	c1ccc(CC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1	 
O=c1cc[nH]c2cc(Cl)c(Br)cc12	ZINC000082164693	39/47/40/280394740	YCDPCUROLTWTTA-UHFFFAOYSA-N	0	258.502	CF	2.944	0	Anodyne	ref	CFAARN	O=c1cc[nH]c2cc(Cl)c(Br)cc12	 
CCOC(=O)Nc1ccc([N+](=O)[O-])cc1NC(=O)OCC	ZINC000138366587	91/61/60/347916160	XGEZYXHGMXUORG-UHFFFAOYSA-N	0	297.267	CF	2.732	0	Anodyne	ref	CFABRN	CCOC(=O)Nc1ccc([N+](=O)[O-])cc1NC(=O)OCC	 
C#C[C@]1(O)CCCC[C@@H]1N(CC=C)Cc1ccccc1	ZINC000536553475	36/58/65/330365865	DOLKZKLTOIKEFL-ROUUACIJSA-N	0	269.388	CF	2.982	3	Mild	high	CFEBHN	C#C[C@]1(O)CCCC[C@@H]1N(CC=C)Cc1ccccc1	 
C#C[C@]1(O)CCCC[C@@H]1N(CC=C)Cc1ccccc1	ZINC000536553475	36/58/64/330365864	DOLKZKLTOIKEFL-ROUUACIJSA-N	1	269.388	CF	2.982	1	Mild	mid	CFEBMO	C#C[C@]1(O)CCCC[C@@H]1[N@@H+](CC=C)Cc1ccccc1	 
C#C[C@]1(O)CCCC[C@@H]1N(CC=C)Cc1ccccc1	ZINC000536553475	36/58/63/330365863	DOLKZKLTOIKEFL-ROUUACIJSA-N	1	269.388	CF	2.982	0	Mild	ref	CFEBRO	C#C[C@]1(O)CCCC[C@@H]1[N@H+](CC=C)Cc1ccccc1	 
C[C@@]12C[C@H]3N[C@H]1CCCC[C@H]2N[C@@H]3Cc1ccccc1	ZINC000536553485	36/58/70/330365870	JTXKOFRBDGVSQW-DZVNLGKHSA-N	2	270.42	CF	2.88	1	Anodyne	mid	CFABMP	C[C@@]12C[C@H]3[NH2+][C@H]1CCCC[C@H]2[NH2+][C@@H]3Cc1ccccc1	 
C[C@@]12C[C@H]3N[C@H]1CCCC[C@H]2N[C@@H]3Cc1ccccc1	ZINC000536553485	36/58/69/330365869	JTXKOFRBDGVSQW-DZVNLGKHSA-N	1	270.42	CF	2.88	0	Anodyne	ref	CFABRO	C[C@@]12C[C@H]3[NH2+][C@H]1CCCC[C@H]2N[C@@H]3Cc1ccccc1	 
C[C@@]12C[C@H]3N[C@@H]1CCCC[C@H]2N[C@@H]3Cc1ccccc1	ZINC000536553495	36/57/88/330365788	JTXKOFRBDGVSQW-ZKXLYKBJSA-N	2	270.42	CF	2.88	1	Anodyne	mid	CFABMP	C[C@@]12C[C@H]3[NH2+][C@@H]1CCCC[C@H]2[NH2+][C@@H]3Cc1ccccc1	 
C[C@@]12C[C@H]3N[C@@H]1CCCC[C@H]2N[C@@H]3Cc1ccccc1	ZINC000536553495	36/57/87/330365787	JTXKOFRBDGVSQW-ZKXLYKBJSA-N	1	270.42	CF	2.88	0	Anodyne	ref	CFABRO	C[C@@]12C[C@H]3[NH2+][C@@H]1CCCC[C@H]2N[C@@H]3Cc1ccccc1	 
CCc1cc(Br)cc2cc(C(=O)O)c(=O)[nH]c12	ZINC000536554681	36/58/49/330365849	GXGJTNQCTTYYQZ-UHFFFAOYSA-N	-1	296.12	CF	2.551	0	Anodyne	ref	CFABRM	CCc1cc(Br)cc2cc(C(=O)[O-])c(=O)[nH]c12	 
CCc1cccc2c(Cl)c(C(=O)O)c(O)nc12	ZINC000536554687	36/58/21/330365821	PDHXNSKHBAVBTN-UHFFFAOYSA-N	-1	251.669	CF	2.854	0	Anodyne	ref	CFABRM	CCc1cccc2c(Cl)c(C(=O)[O-])c(=O)[nH]c12	 
COc1cc2c(cc1OC)[C@@]13CC=CCC1=CC(=O)N3CC2	ZINC000536555921	36/58/29/330365829	MKNYGDFVMSXCMF-GOSISDBHSA-N	0	297.354	CF	2.574	0	Anodyne	ref	CFABRN	COc1cc2c(cc1OC)[C@@]13CC=CCC1=CC(=O)N3CC2	 
COc1cc2c(cc1OC)[C@]13CC=CCC1=CC(=O)N3CC2	ZINC000536555928	36/57/64/330365764	MKNYGDFVMSXCMF-SFHVURJKSA-N	0	297.354	CF	2.574	0	Anodyne	ref	CFABRN	COc1cc2c(cc1OC)[C@]13CC=CCC1=CC(=O)N3CC2	 
N[C@H]1C(=O)Nc2ccc(-c3ccccc3Cl)cc21	ZINC000536558919	36/58/48/330365848	LWADQGRFZHMINN-CYBMUJFWSA-N	1	258.708	CF	2.959	1	Anodyne	mid	CFABMO	[NH3+][C@H]1C(=O)Nc2ccc(-c3ccccc3Cl)cc21	 
N[C@H]1C(=O)Nc2ccc(-c3ccccc3Cl)cc21	ZINC000536558919	36/58/47/330365847	LWADQGRFZHMINN-CYBMUJFWSA-N	0	258.708	CF	2.959	0	Anodyne	ref	CFABRN	N[C@H]1C(=O)Nc2ccc(-c3ccccc3Cl)cc21	 
N[C@@H]1C(=O)Nc2ccc(-c3ccccc3Cl)cc21	ZINC000536558920	36/58/35/330365835	LWADQGRFZHMINN-ZDUSSCGKSA-N	1	258.708	CF	2.959	1	Anodyne	mid	CFABMO	[NH3+][C@@H]1C(=O)Nc2ccc(-c3ccccc3Cl)cc21	 
N[C@@H]1C(=O)Nc2ccc(-c3ccccc3Cl)cc21	ZINC000536558920	36/58/34/330365834	LWADQGRFZHMINN-ZDUSSCGKSA-N	0	258.708	CF	2.959	0	Anodyne	ref	CFABRN	N[C@@H]1C(=O)Nc2ccc(-c3ccccc3Cl)cc21	 
N=c1nc(-c2cncs2)c2c([nH]1)CN(c1ccccc1)C2	ZINC000536558967	36/57/60/330365760	OIXFFOKFVFPSHD-UHFFFAOYSA-N	0	295.371	CF	2.533	0	Clean	ref	CFCBRN	Nc1nc2c(c(-c3cncs3)n1)CN(c1ccccc1)C2