TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T09826	DNA topoisomerase I	D07VLY	Doxorubicin	Approved	31703	C27H29NO11	543.5	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	IC50 > 200000 nM	Non binder
T09826	DNA topoisomerase I	D0B7EB	Etoposide	Approved	36462	C29H32O13	588.6	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	IC50 > 1000000 nM	Non binder
T09826	DNA topoisomerase I	B0MSB5	3-O-beta-6-Deoxy-D-glucopyranosyl cincholic acid28-O-beta-D-glucopyranosyl ester	Investigative	46888321	C42H66O14	795	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)C)C)[C@@H]2[C@H]1C)C(=O)O)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	B1RP5U	Quinovic acid 28-O-beta-D-glucopyranosyl ester	Investigative	46888320	C36H56O10	648.8	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C(=O)O)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	B28CGS	(3E)-3-[(3-Hydroxy-4-methoxyphenyl)methylidene]-1-benzofuran-2-one	Investigative	11623140	C16H12O4	268.26	COC1=C(C=C(C=C1)/C=C/2\\C3=CC=CC=C3OC2=O)O	IC50 = 800000 nM	Non binder
T09826	DNA topoisomerase I	B2GPU8	(3E)-3-Benzylidene-5-hydroxy-1-benzofuran-2-one	Investigative	44401847	C15H10O3	238.24	C1=CC=C(C=C1)/C=C/2\\C3=C(C=CC(=C3)O)OC2=O	IC50 = 960000 nM	Non binder
T09826	DNA topoisomerase I	B2YU0E	Aesculioside IIj	Investigative	46888311	C54H84O22	1085.2	C/C=C(\\C)/C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	B38GZD	[(3R,4R,4Ar,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-3-[(Z)-2-methylbut-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] 2-methylbutanoate	Investigative	46888248	C40H64O7	656.9	CCC(C)C(=O)O[C@H]1[C@@H](C(C[C@@H]2[C@]1([C@@H](C[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)O)CO)(C)C)OC(=O)/C(=C\\C)/C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	B3FIW9	Ginsenoside Re	Investigative	441921	C48H82O18	947.2	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3C[C@@]4([C@H](C[C@H]([C@H]5[C@]4(CC[C@@H]5[C@](C)(CCC=C(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)[C@@]7([C@@H]3C([C@H](CC7)O)(C)C)C)C)CO)O)O)O)O)O	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	B3GO9J	[(3R,4R,4Ar,5S,6R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,6,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-3-[(Z)-2-methylbut-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] 2-methylbutanoate	Investigative	46888246	C40H64O8	672.9	CCC(C)C(=O)O[C@H]1[C@@H](C(C[C@@H]2[C@]1([C@@H]([C@@H]([C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)O)O)CO)(C)C)OC(=O)/C(=C\\C)/C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	B42YUD	2,4,6-Tri-furan-2-yl-pyridine	Investigative	44276082	C17H11NO3	277.27	C1=COC(=C1)C2=CC(=NC(=C2)C3=CC=CO3)C4=CC=CO4	IC50 = 500000 nM	Non binder
T09826	DNA topoisomerase I	B4CWS0	6H-Purin-6-one, 2-((3,4-dichlorophenyl)amino)-1,9-dihydro-	Investigative	135435051	C11H7Cl2N5O	296.11	C1=CC(=C(C=C1NC2=NC3=C(C(=O)N2)NC=N3)Cl)Cl	IC50 > 200000 nM	Non binder
T09826	DNA topoisomerase I	B4Z6KB	N~2~-(3,4-Dichlorophenyl)-9H-purine-2,6-diamine	Investigative	496192	C11H8Cl2N6	295.12	C1=CC(=C(C=C1NC2=NC(=C3C(=N2)N=CN3)N)Cl)Cl	IC50 > 200000 nM	Non binder
T09826	DNA topoisomerase I	B54JCM	Ethyl 2-[4-[(E)-(2-oxo-1-benzofuran-3-ylidene)methyl]phenyl]acetate	Investigative	44401288	C19H16O4	308.3	CCOC(=O)CC1=CC=C(C=C1)/C=C/2\\C3=CC=CC=C3OC2=O	IC50 > 1000000 nM	Non binder
T09826	DNA topoisomerase I	B59MAD	20(S)-Ginsenoside Rg2	Investigative	12912322	C42H72O13	785	C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3C[C@@]4([C@H](C[C@H]([C@H]5[C@]4(CC[C@@H]5[C@](C)(CCC=C(C)C)O)C)O)[C@@]6([C@@H]3C([C@H](CC6)O)(C)C)C)C)CO)O)O)O)O)O	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	B5D3VB	Gypenoside VIII	Investigative	11679800	C48H82O18	947.2	CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	B5OGC8	Ginsenoside F2	Investigative	9918692	C42H72O13	785	CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	B63ZPM	[(3R,4R,4Ar,5R,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-4,5,10-trihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (Z)-2-methylbut-2-enoate	Investigative	46888299	C35H56O7	588.8	C/C=C(/C)\\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)C)[C@@H]2CC1(C)C)C)O)CO)O	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	B68FMR	2, 3-Dihydroxy-12-ursen-28-oic acid	Investigative	46887586	C30H46O6	502.7	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@H]1C)C(=O)O)C(=O)O	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	B6SBY8	Eryngioside 94A	Investigative	46888260	C52H82O22	1059.2	C/C=C(/C)\\C(=O)O[C@H]1[C@@H]([C@]2([C@@H](CC1(C)C)C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3([C@H]([C@H]2O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)CO)O	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	B73JBR	20(R)-Ginsenoside Rg2	Investigative	46887679	C42H72O13	785	C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3C[C@@]4([C@H](C[C@H]([C@H]5[C@]4(CC[C@@H]5[C@@](C)(CCC=C(C)C)O)C)O)[C@@]6([C@@H]3C([C@H](CC6)O)(C)C)C)C)CO)O)O)O)O)O	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	B73QUJ	Quinovic acid 3-O-beta-D-glucoside	Investigative	14194006	C36H56O10	648.8	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)[C@@H]2[C@H]1C)C(=O)O)C(=O)O	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	B7JW2G	Elaidic acid	Investigative	637517	C18H34O2	282.5	CCCCCCCC/C=C/CCCCCCCC(=O)O	IC50 > 1000000 nM	Non binder
T09826	DNA topoisomerase I	B8I7CF	Eryngioside E	Investigative	46888301	C52H82O22	1059.2	C/C=C(/C)\\C(=O)O[C@H]1[C@@H](C(C[C@@H]2[C@]1([C@@H]([C@@H]([C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C)O)O)CO)(C)C)O	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	B8VL6E	Eryngiioside L	Investigative	46888255	C54H84O22	1085.2	C/C=C(/C)\\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	B97INB	Gypenoside XVII	Investigative	44584555	C48H82O18	947.2	CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BAV8P1	3-[(E)-4-Hydroxybenzylidene]benzofuran-2(3H)-one	Investigative	44401681	C15H10O3	238.24	C1=CC=C2C(=C1)/C(=C\\C3=CC=C(C=C3)O)/C(=O)O2	IC50 = 250000 nM	Non binder
T09826	DNA topoisomerase I	BBCU85	2,4-Pyrimidinediamine, 6-chloro-N4-(3,4-dichlorophenyl)-	Investigative	238747	C10H7Cl3N4	289.5	C1=CC(=C(C=C1NC2=CC(=NC(=N2)N)Cl)Cl)Cl	IC50 > 200000 nM	Non binder
T09826	DNA topoisomerase I	BBG46M	(3E)-5-Hydroxy-3-[(4-hydroxyphenyl)methylidene]-1-benzofuran-2-one	Investigative	14804068	C15H10O4	254.24	C1=CC(=CC=C1/C=C/2\\C3=C(C=CC(=C3)O)OC2=O)O	IC50 = 555000 nM	Non binder
T09826	DNA topoisomerase I	BBM18F	(1S,2R,4As,6aR,6bR,8aR,10S,12aR,12bR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4a-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-6a-carboxylic acid	Investigative	14194010	C42H66O15	811	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)[C@@H]2[C@H]1C)C(=O)O)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BBW75R	Eryngioside F	Investigative	46888300	C52H82O21	1043.2	C/C=C(/C)\\C(=O)O[C@H]1[C@@H](C(C[C@@H]2[C@]1([C@@H](C[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C)O)CO)(C)C)O	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BC70WL	4-Furan-2-yl-2-thiophen-2-yl-pyridine	Investigative	44276312	C13H9NOS	227.28	C1=COC(=C1)C2=CC(=NC=C2)C3=CC=CS3	IC50 = 400000 nM	Non binder
T09826	DNA topoisomerase I	BDR1V8	Aesculioside IIk	Investigative	46888257	C54H84O22	1085.2	C/C=C(/C)\\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BE2XK5	(E)-3-Benzylidenebenzofuran-2(3H)-one	Investigative	10933039	C15H10O2	222.24	C1=CC=C(C=C1)/C=C/2\\C3=CC=CC=C3OC2=O	IC50 > 1000000 nM	Non binder
T09826	DNA topoisomerase I	BEAV61	(3E)-3-[(4-Hydroxy-3-methoxyphenyl)methylidene]-1-benzofuran-2-one	Investigative	44401925	C16H12O4	268.26	COC1=C(C=CC(=C1)/C=C/2\\C3=CC=CC=C3OC2=O)O	IC50 = 630000 nM	Non binder
T09826	DNA topoisomerase I	BELT36	(1S,2R,4As,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,2,6b,9,9,12a-hexamethyl-4a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid	Investigative	46888323	C48H76O19	957.1	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)O)C)C)[C@@H]2[C@H]1C)C(=O)O)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BFZ2W3	Saniculasaponin III	Investigative	46888254	C55H86O23	1115.3	CC/C(=C/C)/C(=O)O[C@H]1[C@@H]([C@]2([C@@H](CC1(C)C)C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3([C@H]([C@H]2O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)CO)OC(=O)C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BG3N6L	Aesculioside IIf	Investigative	46888312	C54H84O23	1101.2	C/C=C(\\C)/C(=O)O[C@H]1[C@@H]([C@]2([C@@H](CC1(C)C)C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3([C@H]([C@H]2O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)C)CO)OC(=O)C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BH0ZK7	Ginsenoside F3	Investigative	46887678	C41H70O13	771	CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O)O)O)O)C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BI5M3Y	Kaempferol 3-O-alpha-L-arabinopyranosyl-7-O-alpha-L-rhamnopyranoside	Investigative	57401109	C26H28O14	564.5	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@H](CO4)O)O)O)C5=CC=C(C=C5)O)O)O)O)O	IC50 = 250000 nM	Non binder
T09826	DNA topoisomerase I	BIC5L6	(3E)-3-[(4-Fluorophenyl)methylidene]-1-benzofuran-2-one	Investigative	44401260	C15H9FO2	240.23	C1=CC=C2C(=C1)/C(=C\\C3=CC=C(C=C3)F)/C(=O)O2	IC50 = 392000 nM	Non binder
T09826	DNA topoisomerase I	BIFJ14	21beta-O,22alpha-O-Diangeloylbarringtogenol C	Investigative	21636448	C40H62O7	654.9	C/C=C(/C)\\C(=O)O[C@H]1[C@@H](C(C[C@@H]2[C@]1([C@@H](C[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)O)CO)(C)C)OC(=O)/C(=C\\C)/C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BIL1D6	(1S,2R,4As,6aR,6aR,6bR,8aR,10S,12aR,14bS)-4a-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxycarbonyl-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid	Investigative	46888324	C47H74O19	943.1	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)[C@@H]2[C@H]1C)C(=O)O)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BJ5T8Z	[(3R,4R,4Ar,5R,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-5,10-dihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-(2-methylpropanoyloxy)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (Z)-2-methylbut-2-enoate	Investigative	46888250	C39H62O8	658.9	C/C=C(/C)\\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C(C)C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BL8JR0	Unii-W6V49A8fjq	Investigative	12912363	C53H90O22	1079.3	CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O)O)C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BN8X4G	Ginsenoside-F5	Investigative	46224647	C41H70O13	771	CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@@H]6[C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BO1ST5	Kaempferol 3-O-[alpha-L-rhamnopyranosyl(1->2)-beta-D-glucopyranosyl]-7-O-alpha-L-rhamnopyranoside	Investigative	10485148	C33H40O19	740.7	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)C6=CC=C(C=C6)O)CO)O)O)O)O)O	IC50 = 220000 nM	Non binder
T09826	DNA topoisomerase I	BOR9A1	(20R)-Ginsenoside Rg3	Investigative	46887680	C42H72O13	785	CC(=CCC[C@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O)C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BQ61WC	(3E)-3-[(4-Methoxyphenyl)methylidene]-1-benzofuran-2-one	Investigative	21350957	C16H12O3	252.26	COC1=CC=C(C=C1)/C=C/2\\C3=CC=CC=C3OC2=O	IC50 > 1000000 nM	Non binder
T09826	DNA topoisomerase I	BQ8T2D	[(3R,4R,4Ar,5R,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-5,10-dihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (Z)-2-methylbut-2-enoate	Investigative	46888244	C40H62O8	670.9	C/C=C(/C)\\C(=O)O[C@H]1[C@@H](C(C[C@@H]2[C@]1([C@@H](C[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)C)C)O)CO)(C)C)OC(=O)/C(=C\\C)/C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BQB60A	Kaempferol 3-O-[alpha-L-rhamnopyranosyl(1->2)-beta-D-galactopyranosyl]-7-O-alpha-L-rhamnopyranoside	Investigative	57397583	C33H40O19	740.7	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)C6=CC=C(C=C6)O)CO)O)O)O)O)O	IC50 = 260000 nM	Non binder
T09826	DNA topoisomerase I	BQN8R9	alpha-Amyrin	Investigative	73170	C30H50O	426.7	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BS53ML	3-[(E)-4-Hydroxybenzylidene]-6-hydroxybenzofuran-2(3H)-one	Investigative	9837937	C15H10O4	254.24	C1=CC(=CC=C1/C=C/2\\C3=C(C=C(C=C3)O)OC2=O)O	IC50 = 307000 nM	Non binder
T09826	DNA topoisomerase I	BTA1V9	Damara-20(22), 24-dien-3, 6, 12-trine	Investigative	46887682	C30H50O3	458.7	CC(=CC/C=C(/C)\\[C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)O)C)C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BTI42V	Aesculioside IIg	Investigative	46888256	C54H84O23	1101.2	C/C=C(/C)\\C(=O)O[C@H]1[C@@H]([C@]2([C@@H](CC1(C)C)C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3([C@H]([C@H]2O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)C)CO)OC(=O)C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BV70SR	Eryngiioside J	Investigative	46888253	C54H84O23	1101.2	C/C=C(/C)\\C(=O)O[C@H]1[C@@H]([C@]2([C@@H](CC1(C)C)C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3([C@H]([C@H]2O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)CO)OC(=O)C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BVL7T8	[(1R)-1-(5,8-Dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate	Investigative	10099547	C36H42O6	570.7	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O[C@H](CC=C(C)C)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O)/C)/C	IC50 > 625000 nM	Non binder
T09826	DNA topoisomerase I	BVM1C0	(3E)-3-[(3-Hydroxyphenyl)methylidene]-1-benzofuran-2-one	Investigative	44401784	C15H10O3	238.24	C1=CC=C2C(=C1)/C(=C\\C3=CC(=CC=C3)O)/C(=O)O2	IC50 = 262000 nM	Non binder
T09826	DNA topoisomerase I	BXO30Z	Ginsenoside rb1	Investigative	9898279	C54H92O23	1109.3	CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BXS89G	Aesculioside III	Investigative	46888252	C54H84O23	1101.2	C/C=C(/C)\\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	BZ6EK3	3-O-alpha-L-Rhamnopyranosyl quinovic acid	Investigative	46888322	C36H56O9	632.8	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)C)C)[C@@H]2[C@H]1C)C(=O)O)C(=O)O	IC50 > 250000 nM	Non binder
T09826	DNA topoisomerase I	D01BKS	ginsenoside Rg3	Investigative	9918693	C42H72O13	785	CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O)C	IC50 > 250000 nM	Non binder