"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P51681	"C-C chemokine receptor type 5 (C-C CKR-5) (CC-CKR-5) (CCR-5) (CCR5) (CHEMR13) (HIV-1 fusion coreceptor) (CD antigen CD195)"	"G-protein coupled receptor 1 family"	CCR5	1234;	"Homo sapiens (Human)"	3.44291	1
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P34998	"Corticotropin-releasing factor receptor 1 (CRF-R-1) (CRF-R1) (CRFR-1) (Corticotropin-releasing hormone receptor 1) (CRH-R-1) (CRH-R1)"	"G-protein coupled receptor 2 family"	CRHR1	104909134;1394;	"Homo sapiens (Human)"	3.34725	2
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	Q8TDV5	"Glucose-dependent insulinotropic receptor (G-protein coupled receptor 119)"	"G-protein coupled receptor 1 family"	GPR119	139760;	"Homo sapiens (Human)"	2.89728	3
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P35462	"D(3) dopamine receptor (Dopamine D3 receptor)"	"G-protein coupled receptor 1 family"	DRD3	1814;	"Homo sapiens (Human)"	2.78841	4
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P25105	"Platelet-activating factor receptor (PAF-R) (PAFr)"	"G-protein coupled receptor 1 family"	PTAFR	5724;	"Homo sapiens (Human)"	2.76508	5
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	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)"	2.69322	6
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)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)"	2.65118	7
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	O43614	"Orexin receptor type 2 (Ox-2-R) (Ox2-R) (Ox2R) (Hypocretin receptor type 2)"	"G-protein coupled receptor 1 family"	HCRTR2	3062;	"Homo sapiens (Human)"	2.58525	8
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	2.46561	9
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	Q9H9B1	"Histone-lysine N-methyltransferase EHMT1 (EC 2.1.1.-) (EC 2.1.1.43) (Euchromatic histone-lysine N-methyltransferase 1) (Eu-HMTase1) (G9a-like protein 1) (GLP) (GLP1) (Histone H3-K9 methyltransferase 5) (H3-K9-HMTase 5) (Lysine N-methyltransferase 1D)"	"Class V-like SAM-binding methyltransferase superfamily"	EHMT1	79813;	"Homo sapiens (Human)"	2.4565	10
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	2.22878	11
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P30556	"Type-1 angiotensin II receptor (AT1AR) (AT1BR) (Angiotensin II type-1 receptor) (AT1)"	"G-protein coupled receptor 1 family"	AGTR1	185;	"Homo sapiens (Human)"	2.22658	12
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	Q00796	"Sorbitol dehydrogenase (EC 1.1.1.14) (L-iditol 2-dehydrogenase)"	"Zinc-containing alcohol dehydrogenase family"	SORD	6652;	"Homo sapiens (Human)"	2.20481	13
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P41594	"Metabotropic glutamate receptor 5 (mGluR5)"	"G-protein coupled receptor 3 family"	GRM5	2915;	"Homo sapiens (Human)"	2.09958	14
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P43235	"Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X)"	"Peptidase C1 family"	CTSK	1513;	"Homo sapiens (Human)"	1.98574	15
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)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)"	1.93475	16
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)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)"	1.92902	17
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)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)"	1.92466	18
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)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)"	1.81224	19
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)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)"	1.79898	20
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	1.6749	21
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	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)"	1.58749	22
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P47775	"G-protein coupled receptor 12"	"G-protein coupled receptor 1 family"	GPR12	2835;	"Homo sapiens (Human)"	1.52619	23
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P08172	"Muscarinic acetylcholine receptor M2"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 sub-subfamily"	CHRM2	1129;	"Homo sapiens (Human)"	1.52353	24
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.49071	25
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)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)"	1.47586	26
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P0DMS8	"Adenosine receptor A3"	"G-protein coupled receptor 1 family"	ADORA3	140;	"Homo sapiens (Human)"	1.47028	27
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)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)"	1.40713	28
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	O43613	"Orexin receptor type 1 (Ox-1-R) (Ox1-R) (Ox1R) (Hypocretin receptor type 1)"	"G-protein coupled receptor 1 family"	HCRTR1	3061;	"Homo sapiens (Human)"	1.40523	29
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P11229	"Muscarinic acetylcholine receptor M1"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 sub-subfamily"	CHRM1	1128;	"Homo sapiens (Human)"	1.40113	30
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P30542	"Adenosine receptor A1"	"G-protein coupled receptor 1 family"	ADORA1	134;	"Homo sapiens (Human)"	1.39122	31
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	1.38965	32
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)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)"	1.29769	33
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P46098	"5-hydroxytryptamine receptor 3A (5-HT3-A) (5-HT3A) (5-hydroxytryptamine receptor 3) (5-HT-3) (5-HT3R) (Serotonin receptor 3A) (Serotonin-gated ion channel receptor)"	"Ligand-gated ion channel (TC 1.A.9) family, 5-hydroxytryptamine receptor (TC 1.A.9.2) subfamily, HTR3A sub-subfamily"	HTR3A	3359;	"Homo sapiens (Human)"	1.28066	34
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P45452	"Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)"	"Peptidase M10A family"	MMP13	4322;	"Homo sapiens (Human)"	1.28046	35
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	Q13363	"C-terminal-binding protein 1 (CtBP1) (EC 1.1.1.-)"	"D-isomer specific 2-hydroxyacid dehydrogenase family"	CTBP1	1487;	"Homo sapiens (Human)"	1.26857	36
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)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)"	1.25808	37
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)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)"	1.25618	38
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)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)"	1.24786	39
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	1.24091	40
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P35367	"Histamine H1 receptor (H1R) (HH1R)"	"G-protein coupled receptor 1 family"	HRH1	3269;	"Homo sapiens (Human)"	1.18457	41
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)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)"	1.17194	42
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P50052	"Type-2 angiotensin II receptor (Angiotensin II type-2 receptor) (AT2)"	"G-protein coupled receptor 1 family"	AGTR2	186;	"Homo sapiens (Human)"	1.15588	43
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P08173	"Muscarinic acetylcholine receptor M4"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM4 sub-subfamily"	CHRM4	1132;	"Homo sapiens (Human)"	1.15216	44
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	O76074	"cGMP-specific 3',5'-cyclic phosphodiesterase (EC 3.1.4.35) (cGMP-binding cGMP-specific phosphodiesterase) (CGB-PDE)"	"Cyclic nucleotide phosphodiesterase family"	PDE5A	8654;	"Homo sapiens (Human)"	1.14441	45
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P35968	"Vascular endothelial growth factor receptor 2 (VEGFR-2) (EC 2.7.10.1) (Fetal liver kinase 1) (FLK-1) (Kinase insert domain receptor) (KDR) (Protein-tyrosine kinase receptor flk-1) (CD antigen CD309)"	"Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamily"	KDR	3791;	"Homo sapiens (Human)"	1.1355	46
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	Q9Y5Y4	"Prostaglandin D2 receptor 2 (Chemoattractant receptor-homologous molecule expressed on Th2 cells) (G-protein coupled receptor 44) (CD antigen CD294)"	"G-protein coupled receptor 1 family"	PTGDR2	11251;	"Homo sapiens (Human)"	1.13078	47
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	P20309	"Muscarinic acetylcholine receptor M3"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 sub-subfamily"	CHRM3	1131;	"Homo sapiens (Human)"	1.09248	48
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	Q9H3N8	"Histamine H4 receptor (H4R) (HH4R) (AXOR35) (G-protein coupled receptor 105) (GPRv53) (Pfi-013) (SP9144)"	"G-protein coupled receptor 1 family"	HRH4	59340;	"Homo sapiens (Human)"	1.09179	49
1	Untitled	CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	Q13535	"Serine/threonine-protein kinase ATR (EC 2.7.11.1) (Ataxia telangiectasia and Rad3-related protein) (FRAP-related protein 1)"	"PI3/PI4-kinase family, ATM subfamily"	ATR	545;	"Homo sapiens (Human)"	1.08623	50