"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	3.08543	1
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	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)"	2.96146	2
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	P41252	"Isoleucine--tRNA ligase, cytoplasmic (EC 6.1.1.5) (Isoleucyl-tRNA synthetase) (IRS) (IleRS)"	"Class-I aminoacyl-tRNA synthetase family"	IARS	3376;	"Homo sapiens (Human)"	2.87222	3
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	Q13936	"Voltage-dependent L-type calcium channel subunit alpha-1C (Calcium channel, L type, alpha-1 polypeptide, isoform 1, cardiac muscle) (Voltage-gated calcium channel subunit alpha Cav1.2)"	"Calcium channel alpha-1 subunit (TC 1.A.1.11) family, CACNA1C subfamily"	CACNA1C	775;	"Homo sapiens (Human)"	2.84491	4
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	O75388	"Probable G-protein coupled receptor 32"	"G-protein coupled receptor 1 family"	GPR32	2854;	"Homo sapiens (Human)"	2.57489	5
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	P41145	"Kappa-type opioid receptor (K-OR-1) (KOR-1)"	"G-protein coupled receptor 1 family"	OPRK1	4986;	"Homo sapiens (Human)"	2.41688	6
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	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)"	2.287	7
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	Q15391	"P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)"	"G-protein coupled receptor 1 family"	P2RY14	9934;	"Homo sapiens (Human)"	2.28385	8
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	2.2336	9
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	2.23101	10
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	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)"	2.17105	11
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	P25105	"Platelet-activating factor receptor (PAF-R) (PAFr)"	"G-protein coupled receptor 1 family"	PTAFR	5724;	"Homo sapiens (Human)"	2.03503	12
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	P11511	"Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen synthase)"	"Cytochrome P450 family"	CYP19A1	1588;	"Homo sapiens (Human)"	2.02041	13
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	P10275	"Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C member 4)"	"Nuclear hormone receptor family, NR3 subfamily"	AR	367;	"Homo sapiens (Human)"	1.93389	14
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	P25090	"N-formyl peptide receptor 2 (FMLP-related receptor I) (FMLP-R-I) (Formyl peptide receptor-like 1) (HM63) (Lipoxin A4 receptor) (LXA4 receptor) (RFP)"	"G-protein coupled receptor 1 family"	FPR2	2358;	"Homo sapiens (Human)"	1.76087	15
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.74838	16
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	P50579	"Methionine aminopeptidase 2 (MAP 2) (MetAP 2) (EC 3.4.11.18) (Initiation factor 2-associated 67 kDa glycoprotein) (p67) (p67eIF2) (Peptidase M)"	"Peptidase M24A family, Methionine aminopeptidase eukaryotic type 2 subfamily"	METAP2	10988;	"Homo sapiens (Human)"	1.68623	17
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	P54707	"Potassium-transporting ATPase alpha chain 2 (EC 7.2.2.19) (Non-gastric H(+)/K(+) ATPase subunit alpha) (Proton pump)"	"Cation transport ATPase (P-type) (TC 3.A.3) family, Type IIC subfamily"	ATP12A	479;	"Homo sapiens (Human)"	1.65946	18
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	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)"	1.6546	19
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	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)"	1.64887	20
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	Q13547	"Histone deacetylase 1 (HD1) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC1	3065;	"Homo sapiens (Human)"	1.62889	21
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	P43119	"Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid IP receptor)"	"G-protein coupled receptor 1 family"	PTGIR	5739;	"Homo sapiens (Human)"	1.59995	22
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	1.57195	23
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	P47775	"G-protein coupled receptor 12"	"G-protein coupled receptor 1 family"	GPR12	2835;	"Homo sapiens (Human)"	1.52619	24
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	Q8TDS4	"Hydroxycarboxylic acid receptor 2 (G-protein coupled receptor 109A) (G-protein coupled receptor HM74A) (Niacin receptor 1) (Nicotinic acid receptor)"	"G-protein coupled receptor 1 family"	HCAR2	338442;	"Homo sapiens (Human)"	1.52022	25
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	P04150	"Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member 1)"	"Nuclear hormone receptor family, NR3 subfamily"	NR3C1	2908;	"Homo sapiens (Human)"	1.51735	26
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	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)"	1.51267	27
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	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)"	1.50175	28
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	Q13363	"C-terminal-binding protein 1 (CtBP1) (EC 1.1.1.-)"	"D-isomer specific 2-hydroxyacid dehydrogenase family"	CTBP1	1487;	"Homo sapiens (Human)"	1.41012	29
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	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)"	1.39379	30
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	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)"	1.38713	31
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	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)"	1.30399	32
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	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)"	1.30256	33
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	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)"	1.30054	34
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	Q92769	"Histone deacetylase 2 (HD2) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC2	3066;	"Homo sapiens (Human)"	1.29302	35
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	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)"	1.28979	36
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	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)"	1.25516	37
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	P29371	"Neuromedin-K receptor (NKR) (NK-3 receptor) (NK-3R) (Neurokinin B receptor) (Tachykinin receptor 3)"	"G-protein coupled receptor 1 family"	TACR3	6870;	"Homo sapiens (Human)"	1.24205	38
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	P35408	"Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 receptor EP4 subtype) (Prostanoid EP4 receptor)"	"G-protein coupled receptor 1 family"	PTGER4	5734;	"Homo sapiens (Human)"	1.23055	39
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	Q16236	"Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related factor 2) (HEBP1) (Nuclear factor, erythroid derived 2, like 2)"	"BZIP family, CNC subfamily"	NFE2L2	4780;	"Homo sapiens (Human)"	1.22091	40
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	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)"	1.21346	41
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	P41143	"Delta-type opioid receptor (D-OR-1) (DOR-1)"	"G-protein coupled receptor 1 family"	OPRD1	4985;	"Homo sapiens (Human)"	1.19443	42
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	O00519	"Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide hydrolase 1)"	"Amidase family"	FAAH	2166;	"Homo sapiens (Human)"	1.17811	43
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	Q9NUW8	"Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)"	"Tyrosyl-DNA phosphodiesterase family"	TDP1	55775;	"Homo sapiens (Human)"	1.16528	44
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	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)"	1.16188	45
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	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)"	1.15632	46
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	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)"	1.14447	47
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	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)"	1.13144	48
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	P08172	"Muscarinic acetylcholine receptor M2"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 sub-subfamily"	CHRM2	1129;	"Homo sapiens (Human)"	1.12328	49
1	Untitled	CC(=CC(=O)OC)OP(=O)(OC)OC	COC(=O)C=C(OP(=O)(OC)OC)C	Q9Y570	"Protein phosphatase methylesterase 1 (PME-1) (EC 3.1.1.89)"	"AB hydrolase superfamily"	PPME1	51400;	"Homo sapiens (Human)"	1.11584	50