"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P00918	"Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase C) (CAC) (Carbonic anhydrase II) (CA-II)"	"Alpha-carbonic anhydrase family"	CA2	760;	"Homo sapiens (Human)"	2.98301	1
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	O43570	"Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase XII) (CA-XII) (Tumor antigen HOM-RCC-3.1.3)"	"Alpha-carbonic anhydrase family"	CA12	771;	"Homo sapiens (Human)"	2.97274	2
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	Q9UBL9	"P2X purinoceptor 2 (P2X2) (ATP receptor) (Purinergic receptor)"	"P2X receptor family"	P2RX2	22953;	"Homo sapiens (Human)"	2.69561	3
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	Q16790	"Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase IX) (CA-IX) (CAIX) (Membrane antigen MN) (P54/58N) (Renal cell carcinoma-associated antigen G250) (RCC-associated antigen G250) (pMW1)"	"Alpha-carbonic anhydrase family"	CA9	768;	"Homo sapiens (Human)"	2.55419	4
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	Q9H244	"P2Y purinoceptor 12 (P2Y12) (ADP-glucose receptor) (ADPG-R) (P2T(AC)) (P2Y(AC)) (P2Y(cyc)) (P2Y12 platelet ADP receptor) (P2Y(ADP)) (SP1999)"	"G-protein coupled receptor 1 family"	P2RY12	64805;	"Homo sapiens (Human)"	2.46211	5
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P47900	"P2Y purinoceptor 1 (P2Y1) (ADP receptor) (Purinergic receptor)"	"G-protein coupled receptor 1 family"	P2RY1	5028;	"Homo sapiens (Human)"	2.45426	6
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P51149	"Ras-related protein Rab-7a"	"Small GTPase superfamily, Rab family"	RAB7A	7879;	"Homo sapiens (Human)"	2.34751	7
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	2.2336	8
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	Q9UBY5	"Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid receptor Edg-7)"	"G-protein coupled receptor 1 family"	LPAR3	23566;	"Homo sapiens (Human)"	2.18915	9
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P56373	"P2X purinoceptor 3 (P2X3) (ATP receptor) (Purinergic receptor)"	"P2X receptor family"	P2RX3	5024;	"Homo sapiens (Human)"	2.16454	10
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P41231	"P2Y purinoceptor 2 (P2Y2) (ATP receptor) (P2U purinoceptor 1) (P2U1) (P2U receptor 1) (Purinergic receptor)"	"G-protein coupled receptor 1 family"	P2RY2	5029;	"Homo sapiens (Human)"	2.08266	11
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	Q13304	"Uracil nucleotide/cysteinyl leukotriene receptor (UDP/CysLT receptor) (G-protein coupled receptor 17) (P2Y-like receptor) (R12)"	"G-protein coupled receptor 1 family"	GPR17	2840;	"Homo sapiens (Human)"	2.01225	12
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	Q9H1C0	"Lysophosphatidic acid receptor 5 (LPA receptor 5) (LPA-5) (G-protein coupled receptor 92) (G-protein coupled receptor 93)"	"G-protein coupled receptor 1 family"	LPAR5	57121;	"Homo sapiens (Human)"	1.91948	13
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P51582	"P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR)"	"G-protein coupled receptor 1 family"	P2RY4	5030;	"Homo sapiens (Human)"	1.84719	14
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	Q15077	"P2Y purinoceptor 6 (P2Y6)"	"G-protein coupled receptor 1 family"	P2RY6	5031;	"Homo sapiens (Human)"	1.78494	15
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P00915	"Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase B) (CAB) (Carbonic anhydrase I) (CA-I)"	"Alpha-carbonic anhydrase family"	CA1	759;	"Homo sapiens (Human)"	1.75313	16
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P41143	"Delta-type opioid receptor (D-OR-1) (DOR-1)"	"G-protein coupled receptor 1 family"	OPRD1	4985;	"Homo sapiens (Human)"	1.71573	17
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	Q9BXC1	"Probable G-protein coupled receptor 174"	"G-protein coupled receptor 1 family"	GPR174	84636;	"Homo sapiens (Human)"	1.58534	18
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P53602	"Diphosphomevalonate decarboxylase (EC 4.1.1.33) (Mevalonate (diphospho)decarboxylase) (MDDase) (Mevalonate pyrophosphate decarboxylase)"	"Diphosphomevalonate decarboxylase family"	MVD	4597;	"Homo sapiens (Human)"	1.53658	19
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P14324	"Farnesyl pyrophosphate synthase (FPP synthase) (FPS) (EC 2.5.1.10) ((2E,6E)-farnesyl diphosphate synthase) (Dimethylallyltranstransferase) (EC 2.5.1.1) (Farnesyl diphosphate synthase) (Geranyltranstransferase)"	"FPP/GGPP synthase family"	FDPS	2224;	"Homo sapiens (Human)"	1.52999	20
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	1.46573	21
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P51575	"P2X purinoceptor 1 (P2X1) (ATP receptor) (Purinergic receptor)"	"P2X receptor family"	P2RX1	5023;	"Homo sapiens (Human)"	1.46417	22
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	O95749	"Geranylgeranyl pyrophosphate synthase (GGPP synthase) (GGPPSase) (EC 2.5.1.-) ((2E,6E)-farnesyl diphosphate synthase) (Dimethylallyltranstransferase) (EC 2.5.1.1) (Farnesyl diphosphate synthase) (Farnesyltranstransferase) (EC 2.5.1.29) (Geranylgeranyl diphosphate synthase) (Geranyltranstransferase) (EC 2.5.1.10)"	"FPP/GGPP synthase family"	GGPS1	9453;	"Homo sapiens (Human)"	1.41169	23
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P43166	"Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase VII) (CA-VII)"	"Alpha-carbonic anhydrase family"	CA7	766;	"Homo sapiens (Human)"	1.32025	24
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	Q9UPC5	"Probable G-protein coupled receptor 34"	"G-protein coupled receptor 1 family"	GPR34	2857;	"Homo sapiens (Human)"	1.31058	25
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	Q86WV6	"Stimulator of interferon genes protein (hSTING) (Endoplasmic reticulum interferon stimulator) (ERIS) (Mediator of IRF3 activation) (hMITA) (Transmembrane protein 173)"	"TMEM173 family"	TMEM173	340061;	"Homo sapiens (Human)"	1.28683	26
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P20839	"Inosine-5'-monophosphate dehydrogenase 1 (IMP dehydrogenase 1) (IMPD 1) (IMPDH 1) (EC 1.1.1.205) (IMPDH-I)"	"IMPDH/GMPR family"	IMPDH1	3614;	"Homo sapiens (Human)"	1.28059	27
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	Q15391	"P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)"	"G-protein coupled receptor 1 family"	P2RY14	9934;	"Homo sapiens (Human)"	1.27402	28
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	Q9Y2T6	"G-protein coupled receptor 55"	"G-protein coupled receptor 1 family"	GPR55	9290;	"Homo sapiens (Human)"	1.22081	29
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	Q8NET8	"Transient receptor potential cation channel subfamily V member 3 (TrpV3) (Vanilloid receptor-like 3) (VRL-3)"	"Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV3 sub-subfamily"	TRPV3	162514;	"Homo sapiens (Human)"	1.15397	30
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P11511	"Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen synthase)"	"Cytochrome P450 family"	CYP19A1	1588;	"Homo sapiens (Human)"	1.12693	31
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	1.12691	32
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P35372	"Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid receptor) (MOP) (hMOP)"	"G-protein coupled receptor 1 family"	OPRM1	4988;	"Homo sapiens (Human)"	1.09951	33
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	1.088	34
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P23141	"Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) (Carboxylesterase 1) (CE-1) (hCE-1) (EC 3.1.1.1) (Cocaine carboxylesterase) (Egasyn) (HMSE) (Methylumbelliferyl-acetate deacetylase 1) (EC 3.1.1.56) (Monocyte/macrophage serine esterase) (Retinyl ester hydrolase) (REH) (Serine esterase 1) (Triacylglycerol hydrolase) (TGH)"	"Type-B carboxylesterase/lipase family"	CES1	1066;	"Homo sapiens (Human)"	1.058	35
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	Q13363	"C-terminal-binding protein 1 (CtBP1) (EC 1.1.1.-)"	"D-isomer specific 2-hydroxyacid dehydrogenase family"	CTBP1	1487;	"Homo sapiens (Human)"	1.0231	36
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P22748	"Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase IV) (CA-IV)"	"Alpha-carbonic anhydrase family"	CA4	762;	"Homo sapiens (Human)"	1.01683	37
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	Q5R387	"Putative inactive group IIC secretory phospholipase A2 (Phosphatidylcholine 2-acylhydrolase-like protein GIIC)"	"Phospholipase A2 family"	PLA2G2C		"Homo sapiens (Human)"	1	38
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P28845	"Corticosteroid 11-beta-dehydrogenase isozyme 1 (EC 1.1.1.146) (11-beta-hydroxysteroid dehydrogenase 1) (11-DH) (11-beta-HSD1) (Short chain dehydrogenase/reductase family 26C member 1)"	"Short-chain dehydrogenases/reductases (SDR) family"	HSD11B1	3290;	"Homo sapiens (Human)"	0.994254	39
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	O15554	"Intermediate conductance calcium-activated potassium channel protein 4 (SK4) (SKCa 4) (SKCa4) (IKCa1) (IK1) (KCa3.1) (KCa4) (Putative Gardos channel)"	"Potassium channel KCNN family, KCa3.1/KCNN4 subfamily"	KCNN4	3783;	"Homo sapiens (Human)"	0.9793	40
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P34913	"Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) (EC 3.3.2.10) (Epoxide hydratase) (Soluble epoxide hydrolase) (SEH); Lipid-phosphate phosphatase (EC 3.1.3.76)]"	"AB hydrolase superfamily, Epoxide hydrolase family"	EPHX2	2053;	"Homo sapiens (Human)"	0.941298	41
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P52732	"Kinesin-like protein KIF11 (Kinesin-like protein 1) (Kinesin-like spindle protein HKSP) (Kinesin-related motor protein Eg5) (Thyroid receptor-interacting protein 5) (TR-interacting protein 5) (TRIP-5)"	"TRAFAC class myosin-kinesin ATPase superfamily, Kinesin family, BimC subfamily"	KIF11	3832;	"Homo sapiens (Human)"	0.908832	42
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P08908	"5-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A)"	"G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamily"	HTR1A	3350;	"Homo sapiens (Human)"	0.88738	43
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	O00748	"Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) (Methylumbelliferyl-acetate deacetylase 2) (EC 3.1.1.56)"	"Type-B carboxylesterase/lipase family"	CES2	8824;	"Homo sapiens (Human)"	0.884846	44
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P19099	"Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC 1.14.15.5) (Aldosterone-synthesizing enzyme) (CYPXIB2) (Cytochrome P-450Aldo) (Cytochrome P-450C18) (Steroid 18-hydroxylase)"	"Cytochrome P450 family"	CYP11B2	1585;	"Homo sapiens (Human)"	0.879717	45
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P21728	"D(1A) dopamine receptor (Dopamine D1 receptor)"	"G-protein coupled receptor 1 family"	DRD1	1812;	"Homo sapiens (Human)"	0.870695	46
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P10275	"Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C member 4)"	"Nuclear hormone receptor family, NR3 subfamily"	AR	367;	"Homo sapiens (Human)"	0.867694	47
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P00742	"Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved into: Factor X light chain; Factor X heavy chain; Activated factor Xa heavy chain]"	"Peptidase S1 family"	F10	2159;	"Homo sapiens (Human)"	0.858378	48
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	Q92633	"Lysophosphatidic acid receptor 1 (LPA receptor 1) (LPA-1) (Lysophosphatidic acid receptor Edg-2)"	"G-protein coupled receptor 1 family"	LPAR1	1902;	"Homo sapiens (Human)"	0.838472	49
1	Untitled	COP(=O)(N)SC	COP(=O)(SC)N	P41145	"Kappa-type opioid receptor (K-OR-1) (KOR-1)"	"G-protein coupled receptor 1 family"	OPRK1	4986;	"Homo sapiens (Human)"	0.826785	50