CC(C)(C)OC(=O)N1CCc2c(sc3nc[nH]c(=O)c23)C1	ZINC000002548803	19/45/54/277194554	XXJZEGQEPZVPBH-UHFFFAOYSA-N	0	307.375	DE	2.278	0	Anodyne	ref	DEAARN	CC(C)(C)OC(=O)N1CCc2c(sc3[nH]cnc(=O)c23)C1	 
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000003885223	05/24/42/181052442	IYPKFPRPNYXJDZ-UHFFFAOYSA-N	0	304.755	DE	2.423	0	Bother	ref	DEBARN	O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	 
CC(C)CN1C(=S)N(c2ccccc2)C(=O)[C@H]1CC(=O)O	ZINC000009870117	76/61/29/401766129	JODHQTBTAIUZBT-GFCCVEGCSA-N	-1	306.387	DE	2.119	0	Anodyne	ref	DEABRM	CC(C)CN1C(=S)N(c2ccccc2)C(=O)[C@H]1CC(=O)[O-]	 
CC(C)CN1C(=S)N(c2ccccc2)C(=O)[C@@H]1CC(=O)O	ZINC000009870124	86/50/65/278865065	JODHQTBTAIUZBT-LBPRGKRZSA-N	-1	306.387	DE	2.119	0	Anodyne	ref	DEABRM	CC(C)CN1C(=S)N(c2ccccc2)C(=O)[C@@H]1CC(=O)[O-]	 
CCOC(=O)c1c[nH]c(C(N)=O)c1-c1ccc([N+](=O)[O-])c(F)c1	ZINC000011919380	02/38/69/354023869	DLGXRYLANHAWJV-UHFFFAOYSA-N	0	321.264	DE	2.005	0	Bother	ref	DEBBRN	CCOC(=O)c1c[nH]c(C(N)=O)c1-c1ccc([N+](=O)[O-])c(F)c1	 
O=C(O)C[C@@H](CS(=O)(=O)c1ccc(O)cc1)c1ccccc1	ZINC000011919415	02/40/50/354024050	ZEQRZNHYZRYMQT-ZDUSSCGKSA-N	-2	320.366	DE	2.424	1	Anodyne	mid	DEABML	O=C([O-])C[C@@H](CS(=O)(=O)c1ccc([O-])cc1)c1ccccc1	 
O=C(O)C[C@@H](CS(=O)(=O)c1ccc(O)cc1)c1ccccc1	ZINC000011919415	02/40/48/354024048	ZEQRZNHYZRYMQT-ZDUSSCGKSA-N	-1	320.366	DE	2.424	0	Anodyne	ref	DEABRM	O=C([O-])C[C@@H](CS(=O)(=O)c1ccc(O)cc1)c1ccccc1	 
O=C(O)C[C@H](CS(=O)(=O)c1ccc(O)cc1)c1ccccc1	ZINC000011919416	02/35/86/354023586	ZEQRZNHYZRYMQT-CYBMUJFWSA-N	-2	320.366	DE	2.424	1	Anodyne	mid	DEABML	O=C([O-])C[C@H](CS(=O)(=O)c1ccc([O-])cc1)c1ccccc1	 
O=C(O)C[C@H](CS(=O)(=O)c1ccc(O)cc1)c1ccccc1	ZINC000011919416	02/35/78/354023578	ZEQRZNHYZRYMQT-CYBMUJFWSA-N	-1	320.366	DE	2.424	0	Anodyne	ref	DEABRM	O=C([O-])C[C@H](CS(=O)(=O)c1ccc(O)cc1)c1ccccc1	 
O=C(O)c1ccc(-n2cc(I)cn2)cc1	ZINC000070677501	23/11/46/304231146	VQSGEJDBCRGJAK-UHFFFAOYSA-N	-1	314.082	DE	2.175	0	Anodyne	ref	DEABRM	O=C([O-])c1ccc(-n2cc(I)cn2)cc1