"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	2.86879	1
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)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)"	2.80807	2
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)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)"	2.64707	3
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)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)"	2.59872	4
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)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)"	2.41001	5
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	2.2336	6
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)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)"	2.22595	7
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	2.17115	8
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	Q15391	"P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)"	"G-protein coupled receptor 1 family"	P2RY14	9934;	"Homo sapiens (Human)"	2.16695	9
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	P25105	"Platelet-activating factor receptor (PAF-R) (PAFr)"	"G-protein coupled receptor 1 family"	PTAFR	5724;	"Homo sapiens (Human)"	2.08553	10
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)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)"	1.89672	11
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)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)"	1.83897	12
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	P04150	"Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member 1)"	"Nuclear hormone receptor family, NR3 subfamily"	NR3C1	2908;	"Homo sapiens (Human)"	1.7316	13
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)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)"	1.7196	14
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.67369	15
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)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)"	1.64012	16
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	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)"	1.63826	17
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)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)"	1.56	18
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	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)"	1.54557	19
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)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)"	1.53624	20
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	P47775	"G-protein coupled receptor 12"	"G-protein coupled receptor 1 family"	GPR12	2835;	"Homo sapiens (Human)"	1.52619	21
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)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)"	1.50306	22
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	P49768	"Presenilin-1 (PS-1) (EC 3.4.23.-) (Protein S182) [Cleaved into: Presenilin-1 NTF subunit; Presenilin-1 CTF subunit; Presenilin-1 CTF12 (PS1-CTF12)]"	"Peptidase A22A family"	PSEN1	5663;	"Homo sapiens (Human)"	1.50129	23
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	P25103	"Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1)"	"G-protein coupled receptor 1 family"	TACR1	6869;	"Homo sapiens (Human)"	1.38667	24
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	1.35672	25
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	Q15077	"P2Y purinoceptor 6 (P2Y6)"	"G-protein coupled receptor 1 family"	P2RY6	5031;	"Homo sapiens (Human)"	1.30205	26
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	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)"	1.27488	27
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	1.21974	28
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	P51582	"P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR)"	"G-protein coupled receptor 1 family"	P2RY4	5030;	"Homo sapiens (Human)"	1.19605	29
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	Q92769	"Histone deacetylase 2 (HD2) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC2	3066;	"Homo sapiens (Human)"	1.19267	30
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	Q13639	"5-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)"	"G-protein coupled receptor 1 family"	HTR4	3360;	"Homo sapiens (Human)"	1.17864	31
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	P21554	"Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)"	"G-protein coupled receptor 1 family"	CNR1	1268;	"Homo sapiens (Human)"	1.16773	32
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)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)"	1.16318	33
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	P0DMS8	"Adenosine receptor A3"	"G-protein coupled receptor 1 family"	ADORA3	140;	"Homo sapiens (Human)"	1.15849	34
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)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)"	1.15804	35
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)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)"	1.15402	36
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	Q9HBX9	"Relaxin receptor 1 (Leucine-rich repeat-containing G-protein coupled receptor 7) (Relaxin family peptide receptor 1)"	"G-protein coupled receptor 1 family"	RXFP1	59350;	"Homo sapiens (Human)"	1.15308	37
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	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)"	1.15277	38
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	O95822	"Malonyl-CoA decarboxylase, mitochondrial (MCD) (EC 4.1.1.9)"		MLYCD	23417;	"Homo sapiens (Human)"	1.14435	39
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	Q01668	"Voltage-dependent L-type calcium channel subunit alpha-1D (Calcium channel, L type, alpha-1 polypeptide, isoform 2) (Voltage-gated calcium channel subunit alpha Cav1.3)"	"Calcium channel alpha-1 subunit (TC 1.A.1.11) family, CACNA1D subfamily"	CACNA1D	776;	"Homo sapiens (Human)"	1.10546	40
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)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)"	1.07779	41
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)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)"	1.07721	42
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	Q14416	"Metabotropic glutamate receptor 2 (mGluR2)"	"G-protein coupled receptor 3 family"	GRM2	2912;	"Homo sapiens (Human)"	1.06959	43
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	O75469	"Nuclear receptor subfamily 1 group I member 2 (Orphan nuclear receptor PAR1) (Orphan nuclear receptor PXR) (Pregnane X receptor) (Steroid and xenobiotic receptor) (SXR)"	"Nuclear hormone receptor family, NR1 subfamily"	NR1I2	8856;	"Homo sapiens (Human)"	1.06953	44
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	P45452	"Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)"	"Peptidase M10A family"	MMP13	4322;	"Homo sapiens (Human)"	1.06897	45
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	Q92731	"Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A member 2)"	"Nuclear hormone receptor family, NR3 subfamily"	ESR2	2100;	"Homo sapiens (Human)"	1.04655	46
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	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)"	1.04298	47
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	P11597	"Cholesteryl ester transfer protein (Lipid transfer protein I)"	"BPI/LBP/Plunc superfamily, BPI/LBP family"	CETP	1071;	"Homo sapiens (Human)"	1.01651	48
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)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)"	1.00693	49
1	Untitled	CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	P47901	"Vasopressin V1b receptor (V1bR) (AVPR V1b) (AVPR V3) (Antidiuretic hormone receptor 1b) (Vasopressin V3 receptor)"	"G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamily"	AVPR1B	553;	"Homo sapiens (Human)"	0.997398	50