"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	3.2515	1
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	3.15847	2
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	P25105	"Platelet-activating factor receptor (PAF-R) (PAFr)"	"G-protein coupled receptor 1 family"	PTAFR	5724;	"Homo sapiens (Human)"	2.6953	3
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	2.62917	4
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	2.35112	5
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	Q13363	"C-terminal-binding protein 1 (CtBP1) (EC 1.1.1.-)"	"D-isomer specific 2-hydroxyacid dehydrogenase family"	CTBP1	1487;	"Homo sapiens (Human)"	2.32977	6
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	2.2336	7
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	2.19577	8
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	2.18915	9
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	2.17706	10
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	2.16927	11
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	2.0292	12
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	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)"	1.95915	13
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	1.83279	14
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	1.82669	15
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	P0DMS8	"Adenosine receptor A3"	"G-protein coupled receptor 1 family"	ADORA3	140;	"Homo sapiens (Human)"	1.77713	16
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	Q92769	"Histone deacetylase 2 (HD2) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC2	3066;	"Homo sapiens (Human)"	1.74294	17
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	1.69725	18
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.69144	19
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	P0DMS9	"Transmembrane domain-containing protein TMIGD3"		TMIGD3	57413;	"Homo sapiens (Human)"	1.58757	20
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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	21
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	P47775	"G-protein coupled receptor 12"	"G-protein coupled receptor 1 family"	GPR12	2835;	"Homo sapiens (Human)"	1.52619	22
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	1.48135	23
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	1.45925	24
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	1.45258	25
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	1.3974	26
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	1.39699	27
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	1.36651	28
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	Q13547	"Histone deacetylase 1 (HD1) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC1	3065;	"Homo sapiens (Human)"	1.28464	29
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	1.22649	30
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	1.21299	31
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	P48169	"Gamma-aminobutyric acid receptor subunit alpha-4 (GABA(A) receptor subunit alpha-4)"	"Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC 1.A.9.5) subfamily, GABRA4 sub-subfamily"	GABRA4	2557;	"Homo sapiens (Human)"	1.21085	32
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	1.18887	33
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	P51582	"P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR)"	"G-protein coupled receptor 1 family"	P2RY4	5030;	"Homo sapiens (Human)"	1.18348	34
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	1.17707	35
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	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)"	1.1653	36
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	1.15795	37
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	1.14355	38
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	P25101	"Endothelin-1 receptor (Endothelin receptor type A) (ET-A) (ETA-R) (hET-AR)"	"G-protein coupled receptor 1 family, Endothelin receptor subfamily, EDNRA sub-subfamily"	EDNRA	1909;	"Homo sapiens (Human)"	1.12698	39
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	P78527	"DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC 2.7.11.1) (DNPK1) (p460)"	"PI3/PI4-kinase family"	PRKDC	5591;	"Homo sapiens (Human)"	1.05618	40
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	Q99500	"Sphingosine 1-phosphate receptor 3 (S1P receptor 3) (S1P3) (Endothelial differentiation G-protein coupled receptor 3) (Sphingosine 1-phosphate receptor Edg-3) (S1P receptor Edg-3)"	"G-protein coupled receptor 1 family"	S1PR3	1903;	"Homo sapiens (Human)"	1.05367	41
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	P21453	"Sphingosine 1-phosphate receptor 1 (S1P receptor 1) (S1P1) (Endothelial differentiation G-protein coupled receptor 1) (Sphingosine 1-phosphate receptor Edg-1) (S1P receptor Edg-1) (CD antigen CD363)"	"G-protein coupled receptor 1 family"	S1PR1	1901;	"Homo sapiens (Human)"	1.02075	42
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	1.0126	43
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	P16499	"Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha (GMP-PDE alpha) (EC 3.1.4.35) (PDE V-B1)"	"Cyclic nucleotide phosphodiesterase family"	PDE6A	5145;	"Homo sapiens (Human)"	0.976095	44
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	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)"	0.968853	45
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	P03956	"Interstitial collagenase (EC 3.4.24.7) (Fibroblast collagenase) (Matrix metalloproteinase-1) (MMP-1) [Cleaved into: 22 kDa interstitial collagenase; 27 kDa interstitial collagenase]"	"Peptidase M10A family"	MMP1	4312;	"Homo sapiens (Human)"	0.962916	46
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	P41146	"Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor)"	"G-protein coupled receptor 1 family"	OPRL1	4987;	"Homo sapiens (Human)"	0.961714	47
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	0.961315	48
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)OCC	Q15077	"P2Y purinoceptor 6 (P2Y6)"	"G-protein coupled receptor 1 family"	P2RY6	5031;	"Homo sapiens (Human)"	0.95696	49
1	Untitled	CCCSP(=O)(OCC)SCCC	CCCSP(=O)(SCCC)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)"	0.930179	50