OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000000899166	16/66/42/120166642	HSTZMXCBWJGKHG-FSONJKCJSA-N	-1	390.388	GC	0.447	3	Anodyne	high	GCAAHM	[O-]c1cc(/C=C/c2ccc(O)cc2)cc(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1	in-vitro biogenic
OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000000899166	16/66/39/120166639	HSTZMXCBWJGKHG-FSONJKCJSA-N	-1	390.388	GC	0.447	0	Anodyne	ref	GCAARM	OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
C/C=C/C1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@@H]2SC1	ZINC000001530589	29/44/23/570294423	WDLWHQDACQUCJR-RZXBBBSYSA-N	0	389.433	GC	0.707	1	Anodyne	mid	GCAAMN	C/C=C/C1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@@H]2SC1	 
C/C=C/C1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@@H]2SC1	ZINC000001530589	29/44/19/570294419	WDLWHQDACQUCJR-RZXBBBSYSA-N	-1	389.433	GC	0.707	0	Anodyne	ref	GCAARM	C/C=C/C1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@@H]2SC1	 
CCN[C@@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21	ZINC000001530900	55/80/30/530558030	HCRKCZRJWPKOAR-SNVBAGLBSA-N	1	383.517	GC	0.087	2	Anodyne	low	GCAALO	CC[NH2+][C@@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21	in-man
CCN[C@@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21	ZINC000001530900	55/80/24/530558024	HCRKCZRJWPKOAR-SNVBAGLBSA-N	0	383.517	GC	0.087	0	Anodyne	ref	GCAARN	CCN[C@@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21	in-man
COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1	ZINC000001544805	26/45/92/570264592	ICMGLRUYEQNHPF-UHFFFAOYSA-N	0	387.484	GC	0.717	1	Anodyne	mid	GCAAMN	COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1	world
COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1	ZINC000001544805	26/45/83/570264583	ICMGLRUYEQNHPF-UHFFFAOYSA-N	1	387.484	GC	0.717	0	Anodyne	ref	GCAARO	COc1ccccc1N1CC[NH+](CCCNc2cc(=O)n(C)c(=O)n2C)CC1	world
Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O	ZINC000002001200	39/61/15/206396115	QOVTVIYTBRHADL-UHFFFAOYSA-N	0	380.662	GC	0.906	0	Anodyne	ref	GCAARN	Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O	in-man
C/C=C/C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1	ZINC000003776970	35/07/56/570350756	WDLWHQDACQUCJR-ZAMMOSSLSA-N	0	389.433	GC	0.707	1	Anodyne	mid	GCAAMN	C/C=C/C1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1	fda
C/C=C/C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1	ZINC000003776970	35/07/51/570350751	WDLWHQDACQUCJR-ZAMMOSSLSA-N	-1	389.433	GC	0.707	0	Anodyne	ref	GCAARM	C/C=C/C1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1	fda
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1	ZINC000003830507	35/09/87/570350987	XIURVHNZVLADCM-IUODEOHRSA-N	-1	396.446	GC	0.592	0	Anodyne	ref	GCAARM	CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1	world metabolite
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@@H]2SC1	ZINC000003830508	01/90/67/204019067	XIURVHNZVLADCM-DOMZBBRYSA-N	-1	396.446	GC	0.592	0	Anodyne	ref	GCAARM	CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@@H]2SC1	 
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cc3cccs3)[C@H]2SC1	ZINC000003830509	35/10/99/570351099	XIURVHNZVLADCM-SWLSCSKDSA-N	-1	396.446	GC	0.592	0	Anodyne	ref	GCAARM	CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cc3cccs3)[C@H]2SC1	 
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cc3cccs3)[C@@H]2SC1	ZINC000003830510	66/61/88/220666188	XIURVHNZVLADCM-WFASDCNBSA-N	-1	396.446	GC	0.592	0	Anodyne	ref	GCAARM	CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cc3cccs3)[C@@H]2SC1	 
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O	ZINC000003831540	66/73/94/220667394	OHKOGUYZJXTSFX-KZFFXBSXSA-N	-2	384.435	GC	0.548	0	Anodyne	ref	GCAARL	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)[O-])c3ccsc3)C(=O)N2[C@H]1C(=O)[O-]	world
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@@H]1C(=O)O	ZINC000003831541	07/87/36/212078736	OHKOGUYZJXTSFX-MFYTUXHUSA-N	-2	384.435	GC	0.548	0	Anodyne	ref	GCAARL	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)[O-])c3ccsc3)C(=O)N2[C@@H]1C(=O)[O-]	in-vitro
CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(N=C(N)N)cc2)cc1	ZINC000003871842	99/40/76/523994076	XASIMHXSUQUHLV-UHFFFAOYSA-N	0	398.419	GC	0.985	3	Mild	high	GCEAHN	CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1	in-man
CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(N=C(N)N)cc2)cc1	ZINC000003871842	99/40/73/523994073	XASIMHXSUQUHLV-UHFFFAOYSA-N	1	398.419	GC	0.985	0	Mild	ref	GCEARO	CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(N)=[NH2+])cc2)cc1	in-man
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O	ZINC000003871880	45/66/54/209456654	FPPNZSSZRUTDAP-NJBDSQKTSA-N	-2	378.406	GC	0.486	0	Anodyne	ref	GCAARL	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)[O-])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	world
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccccc3)C(=O)N2[C@@H]1C(=O)O	ZINC000003871881	88/51/19/570885119	FPPNZSSZRUTDAP-ZHSDAYTOSA-N	-2	378.406	GC	0.486	0	Anodyne	ref	GCAARL	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)[O-])c3ccccc3)C(=O)N2[C@@H]1C(=O)[O-]	 
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO	ZINC000003882036	71/91/06/570719106	GFNANZIMVAIWHM-OBYCQNJPSA-N	0	394.439	GC	0.62	0	Mild	ref	GCEARN	C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO	fda
CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21	ZINC000003953037	02/24/01/204022401	HCRKCZRJWPKOAR-JTQLQIEISA-N	1	383.517	GC	0.087	2	Anodyne	low	GCAALO	CC[NH2+][C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21	fda
CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21	ZINC000003953037	02/23/98/204022398	HCRKCZRJWPKOAR-JTQLQIEISA-N	0	383.517	GC	0.087	0	Anodyne	ref	GCAARN	CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21	fda
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O	ZINC000003978033	02/20/51/204022051	FPPNZSSZRUTDAP-BBGACYKPSA-N	-2	378.406	GC	0.486	0	Anodyne	ref	GCAARL	CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)[O-])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	world
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O	ZINC000004097358	21/52/56/206215256	OHKOGUYZJXTSFX-KIKITERTSA-N	-2	384.435	GC	0.548	0	Anodyne	ref	GCAARL	CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)[O-])c3ccsc3)C(=O)N2[C@H]1C(=O)[O-]	world
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CC[C@@H](C(=O)N(C)C)N3)[C@H](C)[C@H]12	ZINC000005736075	14/94/17/204149417	FSTGLKRHSQANLP-PQTSNVLCSA-N	-1	383.47	GC	0.04	1	Anodyne	mid	GCAAMM	C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(S[C@H]3CC[C@@H](C(=O)N(C)C)N3)[C@H](C)[C@H]12	world
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CC[C@@H](C(=O)N(C)C)N3)[C@H](C)[C@H]12	ZINC000005736075	14/94/14/204149414	FSTGLKRHSQANLP-PQTSNVLCSA-N	0	383.47	GC	0.04	0	Anodyne	ref	GCAARN	C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(S[C@H]3CC[C@@H](C(=O)N(C)C)[NH2+]3)[C@H](C)[C@H]12	world
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)O)c3ccsc3)C(=O)N2[C@@H]1C(=O)O	ZINC000005765543	21/71/58/206217158	OHKOGUYZJXTSFX-FNOROQBZSA-N	-2	384.435	GC	0.548	0	Anodyne	ref	GCAARL	CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)[O-])c3ccsc3)C(=O)N2[C@@H]1C(=O)[O-]	in-vitro
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)O)c3ccccc3)C(=O)N2[C@@H]1C(=O)O	ZINC000011616718	34/80/59/204348059	FPPNZSSZRUTDAP-ICUOPCATSA-N	-2	378.406	GC	0.486	0	Anodyne	ref	GCAARL	CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)[O-])c3ccccc3)C(=O)N2[C@@H]1C(=O)[O-]	 
CO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1CN	ZINC000011616796	00/56/63/571005663	ZRCVYEYHRGVLOC-RYHXONBMSA-N	0	389.387	GC	0.966	0	Mild	ref	GCEARN	CO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1C[NH3+]	 
CO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1CN	ZINC000012503271	42/89/83/570428983	ZRCVYEYHRGVLOC-ZTVWPAPBSA-N	0	389.387	GC	0.966	0	Mild	ref	GCEARN	CO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@H]1C[NH3+]	 
CC(C)(NS(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1)C(=O)O	ZINC000014960788	54/79/86/204547986	XSDAXWRCPTYNOD-UHFFFAOYSA-N	0	385.833	GC	0.935	1	Mild	mid	GCEAMN	CC(C)(NS(=O)(=O)c1ccc2c(Cl)cnc(NC(N)=[NH2+])c2c1)C(=O)[O-]	 
CC(C)(NS(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1)C(=O)O	ZINC000014960788	54/79/79/204547979	XSDAXWRCPTYNOD-UHFFFAOYSA-N	-1	385.833	GC	0.935	0	Mild	ref	GCEARM	CC(C)(NS(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1)C(=O)[O-]	 
CN1CCN(c2ccc3c(c2)N/C(=C2/C(=O)N=c4cccc(F)c4=C2N)N3)CC1	ZINC000018710083	98/47/67/570984767	KCOYQXZDFIIGCY-CZIZESTLSA-N	0	392.438	GC	0.553	3	Anodyne	high	GCABHN	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	 
CN1CCN(c2ccc3c(c2)N/C(=C2/C(=O)N=c4cccc(F)c4=C2N)N3)CC1	ZINC000018710083	98/47/63/570984763	KCOYQXZDFIIGCY-CZIZESTLSA-N	0	392.438	GC	0.553	1	Anodyne	mid	GCABMN	CN1CCN(c2ccc3[nH]c(-c4c(N)c5c(F)cccc5[nH]c4=O)nc3c2)CC1	 
CN1CCN(c2ccc3c(c2)N/C(=C2/C(=O)N=c4cccc(F)c4=C2N)N3)CC1	ZINC000018710083	98/47/60/570984760	KCOYQXZDFIIGCY-CZIZESTLSA-N	1	392.438	GC	0.553	1	Anodyne	mid	GCABMO	C[NH+]1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	 
CN1CCN(c2ccc3c(c2)N/C(=C2/C(=O)N=c4cccc(F)c4=C2N)N3)CC1	ZINC000018710083	98/47/54/570984754	KCOYQXZDFIIGCY-CZIZESTLSA-N	1	392.438	GC	0.553	0	Anodyne	ref	GCABRO	C[NH+]1CCN(c2ccc3[nH]c(-c4c(N)c5c(F)cccc5[nH]c4=O)nc3c2)CC1	 
CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1CN	ZINC000022059926	40/50/34/210405034	ZRCVYEYHRGVLOC-NOTZLVJDSA-N	0	389.387	GC	0.966	0	Mild	ref	GCEARN	CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1C[NH3+]	fda
CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1CN	ZINC000022059930	30/35/65/570303565	ZRCVYEYHRGVLOC-APKGJDNQSA-N	0	389.387	GC	0.966	0	Mild	ref	GCEARN	CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@H]1C[NH3+]	fda
CN1CCN(c2ccc3c(c2)N/C(=C2\C(=O)N=c4cccc(F)c4=C2N)N3)CC1	ZINC000100270141	92/69/09/523926909	KCOYQXZDFIIGCY-ZZEZOPTASA-N	0	392.438	GC	0.553	3	Anodyne	high	GCAAHN	CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	investigational
CN1CCN(c2ccc3c(c2)N/C(=C2\C(=O)N=c4cccc(F)c4=C2N)N3)CC1	ZINC000100270141	92/69/04/523926904	KCOYQXZDFIIGCY-ZZEZOPTASA-N	0	392.438	GC	0.553	1	Anodyne	mid	GCAAMN	CN1CCN(c2ccc3[nH]c(-c4c(N)c5c(F)cccc5[nH]c4=O)nc3c2)CC1	investigational
CN1CCN(c2ccc3c(c2)N/C(=C2\C(=O)N=c4cccc(F)c4=C2N)N3)CC1	ZINC000100270141	92/68/98/523926898	KCOYQXZDFIIGCY-ZZEZOPTASA-N	1	392.438	GC	0.553	1	Anodyne	mid	GCAAMO	C[NH+]1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1	investigational
CN1CCN(c2ccc3c(c2)N/C(=C2\C(=O)N=c4cccc(F)c4=C2N)N3)CC1	ZINC000100270141	92/68/83/523926883	KCOYQXZDFIIGCY-ZZEZOPTASA-N	1	392.438	GC	0.553	0	Anodyne	ref	GCAARO	C[NH+]1CCN(c2ccc3[nH]c(-c4c(N)c5c(F)cccc5[nH]c4=O)nc3c2)CC1	investigational
Cn1ncnc1[C@@H]1C2=c3c(cc(F)cc3=N[C@H]1c1ccc(F)cc1)C(=O)NN2	ZINC000138126802	47/66/01/570476601	IUEWAGVJRJORLA-HOTGVXAUSA-N	1	380.358	GC	0.608	2	Anodyne	low	GCAALO	Cn1ncnc1[C@@H]1C2=c3c(cc(F)cc3=[NH+][C@H]1c1ccc(F)cc1)C(=O)NN2	in-vitro
Cn1ncnc1[C@@H]1C2=c3c(cc(F)cc3=N[C@H]1c1ccc(F)cc1)C(=O)NN2	ZINC000138126802	47/65/94/570476594	IUEWAGVJRJORLA-HOTGVXAUSA-N	0	380.358	GC	0.608	0	Anodyne	ref	GCAARN	Cn1ncnc1[C@@H]1C2=c3c(cc(F)cc3=N[C@H]1c1ccc(F)cc1)C(=O)NN2	in-vitro
CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	ZINC000149645112	62/14/16/570621416	LGWACEZVCMBSKW-UHFFFAOYSA-N	0	382.428	GC	0.967	0	Anodyne	ref	GCAARN	CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	 
Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)nn2)n(C)c1=O	ZINC000175660737	27/31/47/570273147	QTRXIFVSTWXRJJ-UHFFFAOYSA-N	0	391.391	GC	0.529	0	Anodyne	ref	GCAARN	Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)nn2)n(C)c1=O	 
O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)ncn1	ZINC000220110600	38/21/54/570382154	ZKXZLIFRWWKZRY-KRWDZBQOSA-N	0	383.452	GC	0.436	1	Anodyne	mid	GCAAMN	O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)ncn1	in-vitro
O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)ncn1	ZINC000220110600	38/21/53/570382153	ZKXZLIFRWWKZRY-KRWDZBQOSA-N	1	383.452	GC	0.436	1	Anodyne	mid	GCAAMO	O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(NC2COC2)ncn1	in-vitro
O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)ncn1	ZINC000220110600	38/21/49/570382149	ZKXZLIFRWWKZRY-KRWDZBQOSA-N	1	383.452	GC	0.436	0	Anodyne	ref	GCAARO	O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(NC2COC2)ncn1	in-vitro
O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)ncn1	ZINC000220110667	89/50/90/570895090	ZKXZLIFRWWKZRY-QGZVFWFLSA-N	0	383.452	GC	0.436	1	Anodyne	mid	GCAAMN	O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)ncn1	 
O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)ncn1	ZINC000220110667	89/50/86/570895086	ZKXZLIFRWWKZRY-QGZVFWFLSA-N	1	383.452	GC	0.436	1	Anodyne	mid	GCAAMO	O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(NC2COC2)ncn1	 
O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)ncn1	ZINC000220110667	89/50/80/570895080	ZKXZLIFRWWKZRY-QGZVFWFLSA-N	0	383.452	GC	0.436	0	Anodyne	ref	GCAARN	O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(NC2COC2)ncn1	 
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]3C[C@H](O)[C@@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@]12F	ZINC000242495495	45/65/79/570456579	GFNANZIMVAIWHM-ZLQJMPCFSA-N	0	394.439	GC	0.62	0	Mild	ref	GCEARN	C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]3C[C@H](O)[C@@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@]12F	in-vitro
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]3C[C@H](O)[C@@](O)(C(=O)CO)[C@]3(C)C[C@H](O)[C@]12F	ZINC000253524941	97/56/27/570975627	GFNANZIMVAIWHM-CPNUEBSUSA-N	0	394.439	GC	0.62	0	Mild	ref	GCEARN	C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]3C[C@H](O)[C@@](O)(C(=O)CO)[C@]3(C)C[C@H](O)[C@]12F	in-vitro
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]3C[C@@H](O)[C@@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@]12F	ZINC000253524942	97/56/22/570975622	GFNANZIMVAIWHM-FUYORGBVSA-N	0	394.439	GC	0.62	0	Mild	ref	GCEARN	C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]3C[C@@H](O)[C@@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@]12F	in-vitro
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]3C[C@@H](O)[C@@](O)(C(=O)CO)[C@]3(C)C[C@H](O)[C@]12F	ZINC000253524943	97/55/75/570975575	GFNANZIMVAIWHM-VUSYKTSUSA-N	0	394.439	GC	0.62	0	Mild	ref	GCEARN	C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]3C[C@@H](O)[C@@](O)(C(=O)CO)[C@]3(C)C[C@H](O)[C@]12F	in-vitro