"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P60484	"Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN (EC 3.1.3.16) (EC 3.1.3.48) (EC 3.1.3.67) (Mutated in multiple advanced cancers 1) (Phosphatase and tensin homolog)"	"PTEN phosphatase protein family"	PTEN	5728;	"Homo sapiens (Human)"	0.00126883	1
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P34972	"Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)"	"G-protein coupled receptor 1 family"	CNR2	1269;	"Homo sapiens (Human)"	0.000999768	2
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	0.000772954	3
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	O00519	"Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide hydrolase 1)"	"Amidase family"	FAAH	2166;	"Homo sapiens (Human)"	0.000717609	4
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P23975	"Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 member 2)"	"Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamily"	SLC6A2	6530;	"Homo sapiens (Human)"	0.000692052	5
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P31645	"Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family 6 member 4)"	"Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamily"	SLC6A4	6532;	"Homo sapiens (Human)"	0.000662007	6
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	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)"	0.000641308	7
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P41145	"Kappa-type opioid receptor (K-OR-1) (KOR-1)"	"G-protein coupled receptor 1 family"	OPRK1	4986;	"Homo sapiens (Human)"	0.000635479	8
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	Q01959	"Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 member 3)"	"Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamily"	SLC6A3	6531;	"Homo sapiens (Human)"	0.000628064	9
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	Q8NER1	"Transient receptor potential cation channel subfamily V member 1 (TrpV1) (Capsaicin receptor) (Osm-9-like TRP channel 1) (OTRPC1) (Vanilloid receptor 1)"	"Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamily"	TRPV1	7442;	"Homo sapiens (Human)"	0.000623965	10
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P21554	"Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)"	"G-protein coupled receptor 1 family"	CNR1	1268;	"Homo sapiens (Human)"	0.000616041	11
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P41143	"Delta-type opioid receptor (D-OR-1) (DOR-1)"	"G-protein coupled receptor 1 family"	OPRD1	4985;	"Homo sapiens (Human)"	0.000615037	12
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	0.000576674	13
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	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)"	0.000559585	14
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P28223	"5-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)"	"G-protein coupled receptor 1 family"	HTR2A	3356;	"Homo sapiens (Human)"	0.000547812	15
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P10635	"Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) (Debrisoquine 4-hydroxylase)"	"Cytochrome P450 family"	CYP2D6	1565;	"Homo sapiens (Human)"	0.0005148	16
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P35462	"D(3) dopamine receptor (Dopamine D3 receptor)"	"G-protein coupled receptor 1 family"	DRD3	1814;	"Homo sapiens (Human)"	0.000508368	17
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P41146	"Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor)"	"G-protein coupled receptor 1 family"	OPRL1	4987;	"Homo sapiens (Human)"	0.000492946	18
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	Q12809	"Potassium voltage-gated channel subfamily H member 2 (Eag homolog) (Ether-a-go-go-related gene potassium channel 1) (ERG-1) (Eag-related protein 1) (Ether-a-go-go-related protein 1) (H-ERG) (hERG-1) (hERG1) (Voltage-gated potassium channel subunit Kv11.1)"	"Potassium channel family, H (Eag) (TC 1.A.1.20) subfamily, Kv11.1/KCNH2 sub-subfamily"	KCNH2	3757;	"Homo sapiens (Human)"	0.000492816	19
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	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)"	0.000487719	20
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P21917	"D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)"	"G-protein coupled receptor 1 family"	DRD4	1815;	"Homo sapiens (Human)"	0.000483462	21
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	Q99720	"Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding protein) (SR-BP) (Sigma 1-type opioid receptor) (SIG-1R) (Sigma1-receptor) (Sigma1R) (hSigmaR1)"	"ERG2 family"	SIGMAR1	10280;	"Homo sapiens (Human)"	0.000475162	22
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	Q9NUW8	"Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)"	"Tyrosyl-DNA phosphodiesterase family"	TDP1	55775;	"Homo sapiens (Human)"	0.00047213	23
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P28335	"5-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) (5-HT1C) (Serotonin receptor 2C)"	"G-protein coupled receptor 1 family"	HTR2C	3358;	"Homo sapiens (Human)"	0.000468803	24
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P35367	"Histamine H1 receptor (H1R) (HH1R)"	"G-protein coupled receptor 1 family"	HRH1	3269;	"Homo sapiens (Human)"	0.000468315	25
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P35354	"Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) (Prostaglandin H2 synthase 2) (PGH synthase 2) (PGHS-2) (Prostaglandin-endoperoxide synthase 2)"	"Prostaglandin G/H synthase family"	PTGS2	5743;	"Homo sapiens (Human)"	0.000467323	26
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P04035	"3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)"	"HMG-CoA reductase family"	HMGCR	3156;	"Homo sapiens (Human)"	0.000459965	27
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P03372	"Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 group A member 1)"	"Nuclear hormone receptor family, NR3 subfamily"	ESR1	2099;	"Homo sapiens (Human)"	0.00044638	28
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	0.000443026	29
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P06276	"Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) (Pseudocholinesterase)"	"Type-B carboxylesterase/lipase family"	BCHE	590;	"Homo sapiens (Human)"	0.000440378	30
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P23467	"Receptor-type tyrosine-protein phosphatase beta (Protein-tyrosine phosphatase beta) (R-PTP-beta) (EC 3.1.3.48) (Vascular endothelial protein tyrosine phosphatase) (VE-PTP)"	"Protein-tyrosine phosphatase family, Receptor class 3 subfamily"	PTPRB	5787;	"Homo sapiens (Human)"	0.00043765	31
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P35228	"Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible NO synthase) (Inducible NOS) (iNOS) (NOS type II) (Peptidyl-cysteine S-nitrosylase NOS2)"	"NOS family"	NOS2	4843;	"Homo sapiens (Human)"	0.000428317	32
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	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)"	0.000426339	33
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	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)"	0.00042476	34
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	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)"	0.000414318	35
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	Q99705	"Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein coupled receptor 24) (MCH-1R) (MCH1R) (MCHR) (SLC-1) (Somatostatin receptor-like protein)"	"G-protein coupled receptor 1 family"	MCHR1	2847;	"Homo sapiens (Human)"	0.000411314	36
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	Q8TDS5	"Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor 170) (G-protein coupled receptor R527) (G-protein coupled receptor TG1019)"	"G-protein coupled receptor 1 family"	OXER1	165140;	"Homo sapiens (Human)"	0.000405433	37
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	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)"	0.000405196	38
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P09960	"Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)"	"Peptidase M1 family"	LTA4H	4048;	"Homo sapiens (Human)"	0.000401929	39
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	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)"	0.000399526	40
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P11229	"Muscarinic acetylcholine receptor M1"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 sub-subfamily"	CHRM1	1128;	"Homo sapiens (Human)"	0.000396241	41
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P08172	"Muscarinic acetylcholine receptor M2"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 sub-subfamily"	CHRM2	1129;	"Homo sapiens (Human)"	0.000394655	42
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P08684	"Cytochrome P450 3A4 (EC 1.14.14.-) (1,8-cineole 2-exo-monooxygenase) (EC 1.14.14.56) (Albendazole monooxygenase (sulfoxide-forming)) (EC 1.14.14.73) (Albendazole sulfoxidase) (CYPIIIA3) (CYPIIIA4) (Cholesterol 25-hydroxylase) (EC 1.14.14.-) (Cytochrome P450 3A3) (Cytochrome P450 HLp) (Cytochrome P450 NF-25) (Cytochrome P450-PCN1) (Nifedipine oxidase) (Quinine 3-monooxygenase) (EC 1.14.14.55) (Taurochenodeoxycholate 6-alpha-hydroxylase) (EC 1.14.14.-)"	"Cytochrome P450 family"	CYP3A4	1576;	"Homo sapiens (Human)"	0.000392065	43
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	Q96KQ7	"Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.43) (Euchromatic histone-lysine N-methyltransferase 2) (HLA-B-associated transcript 8) (Histone H3-K9 methyltransferase 3) (H3-K9-HMTase 3) (Lysine N-methyltransferase 1C) (Protein G9a)"	"Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamily"	EHMT2	10919;	"Homo sapiens (Human)"	0.000391506	44
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P29475	"Nitric oxide synthase, brain (EC 1.14.13.39) (Constitutive NOS) (NC-NOS) (NOS type I) (Neuronal NOS) (N-NOS) (nNOS) (Peptidyl-cysteine S-nitrosylase NOS1) (bNOS)"	"NOS family"	NOS1	4842;	"Homo sapiens (Human)"	0.000388067	45
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	Q04609	"Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) (Folate hydrolase 1) (Folylpoly-gamma-glutamate carboxypeptidase) (FGCP) (Glutamate carboxypeptidase II) (GCPII) (Membrane glutamate carboxypeptidase) (mGCP) (N-acetylated-alpha-linked acidic dipeptidase I) (NAALADase I) (Prostate-specific membrane antigen) (PSM) (PSMA) (Pteroylpoly-gamma-glutamate carboxypeptidase)"	"Peptidase M28 family, M28B subfamily"	FOLH1	2346;	"Homo sapiens (Human)"	0.000382748	46
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P30304	"M-phase inducer phosphatase 1 (EC 3.1.3.48) (Dual specificity phosphatase Cdc25A)"	"MPI phosphatase family"	CDC25A	993;	"Homo sapiens (Human)"	0.000381673	47
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	0.000378975	48
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P21728	"D(1A) dopamine receptor (Dopamine D1 receptor)"	"G-protein coupled receptor 1 family"	DRD1	1812;	"Homo sapiens (Human)"	0.000378288	49
1	Untitled	CCCCCCCC[Sn](=O)CCCCCCCC	CCCCCCCC[Sn](=O)CCCCCCCC	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	0.000375992	50