"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	3.0492	1
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	2.87805	2
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P10275	"Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C member 4)"	"Nuclear hormone receptor family, NR3 subfamily"	AR	367;	"Homo sapiens (Human)"	2.43681	3
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P41595	"5-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)"	"G-protein coupled receptor 1 family"	HTR2B	3357;	"Homo sapiens (Human)"	2.22926	4
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P25105	"Platelet-activating factor receptor (PAF-R) (PAFr)"	"G-protein coupled receptor 1 family"	PTAFR	5724;	"Homo sapiens (Human)"	2.18882	5
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	2.17644	6
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	2.14097	7
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	2.13113	8
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	2.11421	9
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	O00519	"Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide hydrolase 1)"	"Amidase family"	FAAH	2166;	"Homo sapiens (Human)"	2.05765	10
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	2.05104	11
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P35462	"D(3) dopamine receptor (Dopamine D3 receptor)"	"G-protein coupled receptor 1 family"	DRD3	1814;	"Homo sapiens (Human)"	1.97711	12
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	1.90612	13
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	1.89925	14
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	1.87313	15
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	1.85396	16
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	1.8363	17
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	1.82918	18
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	1.74678	19
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P48449	"Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)"	"Terpene cyclase/mutase family"	LSS	4047;	"Homo sapiens (Human)"	1.64373	20
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	1.62673	21
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P47775	"G-protein coupled receptor 12"	"G-protein coupled receptor 1 family"	GPR12	2835;	"Homo sapiens (Human)"	1.52619	22
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P21397	"Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) (MAO-A)"	"Flavin monoamine oxidase family"	MAOA	4128;	"Homo sapiens (Human)"	1.49961	23
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P15538	"Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid 11-beta-hydroxylase) (EC 1.14.15.4)"	"Cytochrome P450 family"	CYP11B1	1584;	"Homo sapiens (Human)"	1.47647	24
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P0DMS8	"Adenosine receptor A3"	"G-protein coupled receptor 1 family"	ADORA3	140;	"Homo sapiens (Human)"	1.46567	25
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	1.458	26
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	1.43927	27
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	1.41344	28
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P35367	"Histamine H1 receptor (H1R) (HH1R)"	"G-protein coupled receptor 1 family"	HRH1	3269;	"Homo sapiens (Human)"	1.40835	29
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P41594	"Metabotropic glutamate receptor 5 (mGluR5)"	"G-protein coupled receptor 3 family"	GRM5	2915;	"Homo sapiens (Human)"	1.38862	30
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	Q13363	"C-terminal-binding protein 1 (CtBP1) (EC 1.1.1.-)"	"D-isomer specific 2-hydroxyacid dehydrogenase family"	CTBP1	1487;	"Homo sapiens (Human)"	1.3668	31
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	1.32586	32
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P21917	"D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)"	"G-protein coupled receptor 1 family"	DRD4	1815;	"Homo sapiens (Human)"	1.3247	33
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.30676	34
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P34972	"Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)"	"G-protein coupled receptor 1 family"	CNR2	1269;	"Homo sapiens (Human)"	1.30044	35
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	Q03181	"Peroxisome proliferator-activated receptor delta (PPAR-delta) (NUCI) (Nuclear hormone receptor 1) (NUC1) (Nuclear receptor subfamily 1 group C member 2) (Peroxisome proliferator-activated receptor beta) (PPAR-beta)"	"Nuclear hormone receptor family, NR1 subfamily"	PPARD	5467;	"Homo sapiens (Human)"	1.29126	36
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	1.28519	37
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P21554	"Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)"	"G-protein coupled receptor 1 family"	CNR1	1268;	"Homo sapiens (Human)"	1.27658	38
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	1.26413	39
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	1.24947	40
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P12821	"Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) (Kininase II) (CD antigen CD143) [Cleaved into: Angiotensin-converting enzyme, soluble form]"	"Peptidase M2 family"	ACE	1636;	"Homo sapiens (Human)"	1.24368	41
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P31644	"Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A) receptor subunit alpha-5)"	"Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC 1.A.9.5) subfamily, GABRA5 sub-subfamily"	GABRA5	2558;	"Homo sapiens (Human)"	1.23966	42
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	1.23837	43
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P35348	"Alpha-1A adrenergic receptor (Alpha-1A adrenoreceptor) (Alpha-1A adrenoceptor) (Alpha-1C adrenergic receptor) (Alpha-adrenergic receptor 1c)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1A sub-subfamily"	ADRA1A	148;	"Homo sapiens (Human)"	1.22477	44
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	1.20629	45
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P11511	"Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen synthase)"	"Cytochrome P450 family"	CYP19A1	1588;	"Homo sapiens (Human)"	1.19207	46
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	Q13547	"Histone deacetylase 1 (HD1) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC1	3065;	"Homo sapiens (Human)"	1.18578	47
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	1.16808	48
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	P14867	"Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) receptor subunit alpha-1)"	"Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC 1.A.9.5) subfamily, GABRA1 sub-subfamily"	GABRA1	2554;	"Homo sapiens (Human)"	1.15616	49
1	Untitled	CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl	CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC	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)"	1.12962	50