"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	4.67439	1
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	3.01627	2
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	2.80322	3
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	P34972	"Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)"	"G-protein coupled receptor 1 family"	CNR2	1269;	"Homo sapiens (Human)"	2.75055	4
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	2.66602	5
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	2.5118	6
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	2.43169	7
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	2.40065	8
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	2.34583	9
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	2.24089	10
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	P11511	"Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen synthase)"	"Cytochrome P450 family"	CYP19A1	1588;	"Homo sapiens (Human)"	2.15533	11
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	P41595	"5-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)"	"G-protein coupled receptor 1 family"	HTR2B	3357;	"Homo sapiens (Human)"	1.95412	12
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	P27338	"Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) (MAO-B)"	"Flavin monoamine oxidase family"	MAOB	4129;	"Homo sapiens (Human)"	1.82893	13
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	P41594	"Metabotropic glutamate receptor 5 (mGluR5)"	"G-protein coupled receptor 3 family"	GRM5	2915;	"Homo sapiens (Human)"	1.80018	14
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	1.79605	15
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	Q15722	"Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) (G-protein coupled receptor 16) (P2Y purinoceptor 7) (P2Y7)"	"G-protein coupled receptor 1 family"	LTB4R	1241;	"Homo sapiens (Human)"	1.74531	16
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	1.72011	17
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	1.67697	18
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	Q8N1Q1	"Carbonic anhydrase 13 (EC 4.2.1.1) (Carbonate dehydratase XIII) (Carbonic anhydrase XIII) (CA-XIII)"	"Alpha-carbonic anhydrase family"	CA13	377677;	"Homo sapiens (Human)"	1.67653	19
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	O00519	"Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide hydrolase 1)"	"Amidase family"	FAAH	2166;	"Homo sapiens (Human)"	1.65867	20
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	P35367	"Histamine H1 receptor (H1R) (HH1R)"	"G-protein coupled receptor 1 family"	HRH1	3269;	"Homo sapiens (Human)"	1.6552	21
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	1.62927	22
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	P10275	"Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C member 4)"	"Nuclear hormone receptor family, NR3 subfamily"	AR	367;	"Homo sapiens (Human)"	1.61883	23
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.59122	24
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	P00748	"Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: Coagulation factor XIIa heavy chain; Beta-factor XIIa part 1; Coagulation factor XIIa light chain (Beta-factor XIIa part 2)]"	"Peptidase S1 family"	F12	2161;	"Homo sapiens (Human)"	1.58295	25
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	P35462	"D(3) dopamine receptor (Dopamine D3 receptor)"	"G-protein coupled receptor 1 family"	DRD3	1814;	"Homo sapiens (Human)"	1.52847	26
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	1.44928	27
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	Q15391	"P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)"	"G-protein coupled receptor 1 family"	P2RY14	9934;	"Homo sapiens (Human)"	1.43655	28
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	Q13639	"5-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)"	"G-protein coupled receptor 1 family"	HTR4	3360;	"Homo sapiens (Human)"	1.37062	29
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	P41145	"Kappa-type opioid receptor (K-OR-1) (KOR-1)"	"G-protein coupled receptor 1 family"	OPRK1	4986;	"Homo sapiens (Human)"	1.3461	30
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	1.32688	31
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	1.28445	32
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	1.25821	33
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	1.24996	34
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	P27487	"Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein 2) (ADCP-2) (Dipeptidyl peptidase IV) (DPP IV) (T-cell activation antigen CD26) (TP103) (CD antigen CD26) [Cleaved into: Dipeptidyl peptidase 4 membrane form (Dipeptidyl peptidase IV membrane form); Dipeptidyl peptidase 4 soluble form (Dipeptidyl peptidase IV soluble form)]"	"Peptidase S9B family, DPPIV subfamily"	DPP4	1803;	"Homo sapiens (Human)"	1.24299	35
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	1.23529	36
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	1.23144	37
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	1.21542	38
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	1.17836	39
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	P50406	"5-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)"	"G-protein coupled receptor 1 family"	HTR6	3362;	"Homo sapiens (Human)"	1.1764	40
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	1.16946	41
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	1.15844	42
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	1.15276	43
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	1.14306	44
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	1.12133	45
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	1.12096	46
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	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)"	1.1086	47
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	Q13547	"Histone deacetylase 1 (HD1) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC1	3065;	"Homo sapiens (Human)"	1.10825	48
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	P08913	"Alpha-2A adrenergic receptor (Alpha-2 adrenergic receptor subtype C10) (Alpha-2A adrenoreceptor) (Alpha-2A adrenoceptor) (Alpha-2AAR)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2A sub-subfamily"	ADRA2A	150;	"Homo sapiens (Human)"	1.0487	49
1	Untitled	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	Q9HBW0	"Lysophosphatidic acid receptor 2 (LPA receptor 2) (LPA-2) (Lysophosphatidic acid receptor Edg-4)"	"G-protein coupled receptor 1 family"	LPAR2	9170;	"Homo sapiens (Human)"	0.993058	50