NNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NN)cc2)cc1	ZINC000001680846	36/63/63/210366363	NBOCQTNZUPTTEI-UHFFFAOYSA-N	0	358.401	FB	-0.217	0	Anodyne	ref	FBAARN	NNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NN)cc2)cc1	 
CC(=O)OC[C@H]1O[C@@H](S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000003860849	11/16/77/204111677	SFOZKJGZNOBSHF-RGDJUOJXSA-N	-1	364.372	FB	-0.001	3	Mild	high	FBEAHM	CC(=O)OC[C@H]1O[C@@H]([S-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	in-vitro
CC(=O)OC[C@H]1O[C@@H](S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000003860849	11/16/72/204111672	SFOZKJGZNOBSHF-RGDJUOJXSA-N	0	364.372	FB	-0.001	0	Mild	ref	FBEARN	CC(=O)OC[C@H]1O[C@@H](S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	in-vitro
OCCOCCOCCOCCOCCOCCOCCOCCO	ZINC000005178830	41/50/64/483415064	GLZWNFNQMJAZGY-UHFFFAOYSA-N	0	370.439	FB	-0.913	0	Anodyne	ref	FBAARN	OCCOCCOCCOCCOCCOCCOCCOCCO	in-vitro
O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1	ZINC000012958376	46/02/36/483460236	NZDWTKFDAUOODA-CNEMSGBDSA-N	0	371.353	FB	-0.31	0	Anodyne	ref	FBAARN	O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1	 
COCCCN1C[C@@H](O)c2cc(S(N)(=O)=O)sc2S1(=O)=O	ZINC000022002682	49/45/66/483494566	UHIWBQIWXWWDKT-MRVPVSSYSA-N	0	356.447	FB	-0.53	0	Anodyne	ref	FBAARN	COCCCN1C[C@@H](O)c2cc(S(N)(=O)=O)sc2S1(=O)=O	 
CO[C@@]1(C)O[C@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2O1	ZINC000033358939	57/02/27/483570227	AUVGRVGPAIFPSA-YXJLRHLOSA-N	0	362.331	FB	-0.127	0	Anodyne	ref	FBAARN	CO[C@@]1(C)O[C@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2O1	in-vitro
CO[C@]1(C)O[C@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2O1	ZINC000033358940	57/03/75/483570375	AUVGRVGPAIFPSA-FSKVPOERSA-N	0	362.331	FB	-0.127	0	Anodyne	ref	FBAARN	CO[C@]1(C)O[C@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2O1	in-vitro
COCCCN1CC(=O)c2cc(S(N)(=O)=O)sc2S1(=O)=O	ZINC000034499868	10/52/43/208105243	VCKBAMGUANTCPO-UHFFFAOYSA-N	-1	354.431	FB	-0.381	0	Anodyne	ref	FBAARM	COCCCN1C=C([O-])c2cc(S(N)(=O)=O)sc2S1(=O)=O	 
CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-]	ZINC000035636315	57/89/93/483578993	FQJRPNXNFXYTHZ-GRYCIOLGSA-N	0	372.426	FB	-0.41	3	Anodyne	high	FBAAHN	CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@@H](N)CCCNC(N)=N[N+](=O)[O-]	in-vitro
CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-]	ZINC000035636315	57/89/79/483578979	FQJRPNXNFXYTHZ-GRYCIOLGSA-N	0	372.426	FB	-0.41	0	Anodyne	ref	FBAARN	CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-]	in-vitro
NC[C@H]1O[C@@H](n2cnc3c2N=CN[C@@H]3NCc2ccccc2)[C@H](O)[C@@H]1O	ZINC000082049647	24/17/52/527241752	GHSSKLIKSJXMME-NOSJPKONSA-N	0	358.402	FB	-0.488	3	Anodyne	high	FBAAHN	NC[C@H]1O[C@@H](n2cnc3c2NC=N[C@@H]3NCc2ccccc2)[C@H](O)[C@@H]1O	 
NC[C@H]1O[C@@H](n2cnc3c2N=CN[C@@H]3NCc2ccccc2)[C@H](O)[C@@H]1O	ZINC000082049647	24/17/43/527241743	GHSSKLIKSJXMME-NOSJPKONSA-N	2	358.402	FB	-0.488	2	Anodyne	low	FBAALP	[NH3+]C[C@H]1O[C@@H](n2c[nH+]c3c2NC=N[C@@H]3NCc2ccccc2)[C@H](O)[C@@H]1O	 
NC[C@H]1O[C@@H](n2cnc3c2N=CN[C@@H]3NCc2ccccc2)[C@H](O)[C@@H]1O	ZINC000082049647	24/17/35/527241735	GHSSKLIKSJXMME-NOSJPKONSA-N	1	358.402	FB	-0.488	0	Anodyne	ref	FBAARO	[NH3+]C[C@H]1O[C@@H](n2cnc3c2NC=N[C@@H]3NCc2ccccc2)[C@H](O)[C@@H]1O	 
NC[C@H]1O[C@@H](n2cnc3c2N=CN[C@H]3NCc2ccccc2)[C@H](O)[C@@H]1O	ZINC000082049649	24/21/44/527242144	GHSSKLIKSJXMME-WDGOXLLCSA-N	0	358.402	FB	-0.488	3	Anodyne	high	FBAAHN	NC[C@H]1O[C@@H](n2cnc3c2NC=N[C@H]3NCc2ccccc2)[C@H](O)[C@@H]1O	 
NC[C@H]1O[C@@H](n2cnc3c2N=CN[C@H]3NCc2ccccc2)[C@H](O)[C@@H]1O	ZINC000082049649	24/21/43/527242143	GHSSKLIKSJXMME-WDGOXLLCSA-N	2	358.402	FB	-0.488	2	Anodyne	low	FBAALP	[NH3+]C[C@H]1O[C@@H](n2c[nH+]c3c2NC=N[C@H]3NCc2ccccc2)[C@H](O)[C@@H]1O	 
NC[C@H]1O[C@@H](n2cnc3c2N=CN[C@H]3NCc2ccccc2)[C@H](O)[C@@H]1O	ZINC000082049649	24/21/33/527242133	GHSSKLIKSJXMME-WDGOXLLCSA-N	1	358.402	FB	-0.488	0	Anodyne	ref	FBAARO	[NH3+]C[C@H]1O[C@@H](n2cnc3c2NC=N[C@H]3NCc2ccccc2)[C@H](O)[C@@H]1O	 
CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@H](N)CCCN/C(N)=N/[N+](=O)[O-]	ZINC000085224722	76/74/84/483767484	FQJRPNXNFXYTHZ-IJLUTSLNSA-N	0	372.426	FB	-0.62	3	Mild	high	FBEAHN	CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@H](N)CCCNC(N)=N[N+](=O)[O-]	 
CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@H](N)CCCN/C(N)=N/[N+](=O)[O-]	ZINC000085224722	76/74/83/483767483	FQJRPNXNFXYTHZ-IJLUTSLNSA-N	1	372.426	FB	-0.62	0	Mild	ref	FBEARO	CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@H]([NH3+])CCCNC(N)=N[N+](=O)[O-]	 
C(OCC(COC[C@@H]1CO1)(COC[C@@H]1CO1)COC[C@@H]1CO1)[C@H]1CO1	ZINC000095722117	82/37/34/483823734	PLDLPVSQYMQDBL-FPCVCCKLSA-N	0	360.403	FB	-0.366	0	Mild	ref	FBEARN	C(OCC(COC[C@@H]1CO1)(COC[C@@H]1CO1)COC[C@@H]1CO1)[C@H]1CO1	 
C(OCC(COC[C@@H]1CO1)(COC[C@@H]1CO1)COC[C@@H]1CO1)[C@@H]1CO1	ZINC000095722120	08/50/66/209085066	PLDLPVSQYMQDBL-KLHDSHLOSA-N	0	360.403	FB	-0.366	0	Mild	ref	FBEARN	C(OCC(COC[C@@H]1CO1)(COC[C@@H]1CO1)COC[C@@H]1CO1)[C@@H]1CO1	 
C(OCC(COC[C@H]1CO1)(COC[C@@H]1CO1)COC[C@@H]1CO1)[C@H]1CO1	ZINC000095722122	97/08/81/221970881	PLDLPVSQYMQDBL-RUPPMWDTSA-N	0	360.403	FB	-0.366	0	Mild	ref	FBEARN	C(OCC(COC[C@H]1CO1)(COC[C@@H]1CO1)COC[C@@H]1CO1)[C@H]1CO1	 
C(OCC(COC[C@H]1CO1)(COC[C@H]1CO1)COC[C@@H]1CO1)[C@H]1CO1	ZINC000101386321	83/35/75/483833575	PLDLPVSQYMQDBL-YHUYYLMFSA-N	0	360.403	FB	-0.366	0	Anodyne	ref	FBAARN	C(OCC(COC[C@H]1CO1)(COC[C@H]1CO1)COC[C@@H]1CO1)[C@H]1CO1