"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	O75388	"Probable G-protein coupled receptor 32"	"G-protein coupled receptor 1 family"	GPR32	2854;	"Homo sapiens (Human)"	3.57238	1
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	Q9Y2T6	"G-protein coupled receptor 55"	"G-protein coupled receptor 1 family"	GPR55	9290;	"Homo sapiens (Human)"	3.04711	2
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	Q9NS75	"Cysteinyl leukotriene receptor 2 (CysLTR2) (G-protein coupled receptor GPCR21) (hGPCR21) (G-protein coupled receptor HG57) (HPN321)"	"G-protein coupled receptor 1 family"	CYSLTR2	57105;	"Homo sapiens (Human)"	3.0426	3
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	Q9NPC1	"Leukotriene B4 receptor 2 (LTB4-R 2) (LTB4-R2) (LTB4 receptor JULF2) (Leukotriene B4 receptor BLT2) (Seven transmembrane receptor BLTR2)"	"G-protein coupled receptor 1 family"	LTB4R2	56413;	"Homo sapiens (Human)"	2.84261	4
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	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)"	2.463	5
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	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)"	2.29417	6
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	P43088	"Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)"	"G-protein coupled receptor 1 family"	PTGFR	5737;	"Homo sapiens (Human)"	2.27633	7
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	P21731	"Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)"	"G-protein coupled receptor 1 family"	TBXA2R	6915;	"Homo sapiens (Human)"	2.27101	8
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	P16233	"Pancreatic triacylglycerol lipase (PL) (PTL) (Pancreatic lipase) (EC 3.1.1.3)"	"AB hydrolase superfamily, Lipase family"	PNLIP	5406;	"Homo sapiens (Human)"	2.20891	9
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	Q9Y271	"Cysteinyl leukotriene receptor 1 (CysLTR1) (Cysteinyl leukotriene D4 receptor) (LTD4 receptor) (G-protein coupled receptor HG55) (HMTMF81)"	"G-protein coupled receptor 1 family"	CYSLTR1	10800;	"Homo sapiens (Human)"	2.15157	10
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)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)"	1.94881	11
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)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)"	1.92132	12
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	Q15722	"Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) (G-protein coupled receptor 16) (P2Y purinoceptor 7) (P2Y7)"	"G-protein coupled receptor 1 family"	LTB4R	1241;	"Homo sapiens (Human)"	1.91405	13
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	Q9HBW0	"Lysophosphatidic acid receptor 2 (LPA receptor 2) (LPA-2) (Lysophosphatidic acid receptor Edg-4)"	"G-protein coupled receptor 1 family"	LPAR2	9170;	"Homo sapiens (Human)"	1.85307	14
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)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)"	1.85243	15
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	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)"	1.823	16
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	Q01469	"Fatty acid-binding protein 5 (Epidermal-type fatty acid-binding protein) (E-FABP) (Fatty acid-binding protein, epidermal) (Psoriasis-associated fatty acid-binding protein homolog) (PA-FABP)"	"Calycin superfamily, Fatty-acid binding protein (FABP) family"	FABP5	2171;	"Homo sapiens (Human)"	1.73069	17
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	Q07869	"Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group C member 1)"	"Nuclear hormone receptor family, NR1 subfamily"	PPARA	5465;	"Homo sapiens (Human)"	1.66552	18
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	Q13547	"Histone deacetylase 1 (HD1) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC1	3065;	"Homo sapiens (Human)"	1.66059	19
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	Q13822	"Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (E-NPP 2) (EC 3.1.4.39) (Autotaxin) (Extracellular lysophospholipase D) (LysoPLD)"	"Nucleotide pyrophosphatase/phosphodiesterase family"	ENPP2	5168;	"Homo sapiens (Human)"	1.63373	20
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)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)"	1.59762	21
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	P28074	"Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic endopeptidase complex epsilon chain) (Proteasome chain 6) (Proteasome epsilon chain) (Proteasome subunit MB1) (Proteasome subunit X)"	"Peptidase T1B family"	PSMB5	5693;	"Homo sapiens (Human)"	1.59474	22
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	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)"	1.58866	23
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	Q99677	"Lysophosphatidic acid receptor 4 (LPA receptor 4) (LPA-4) (G-protein coupled receptor 23) (P2Y purinoceptor 9) (P2Y9) (P2Y5-like receptor) (Purinergic receptor 9)"	"G-protein coupled receptor 1 family"	LPAR4	2846;	"Homo sapiens (Human)"	1.5296	24
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	P29466	"Caspase-1 (CASP-1) (EC 3.4.22.36) (Interleukin-1 beta convertase) (IL-1BC) (Interleukin-1 beta-converting enzyme) (ICE) (IL-1 beta-converting enzyme) (p45) [Cleaved into: Caspase-1 subunit p20; Caspase-1 subunit p10]"	"Peptidase C14A family"	CASP1	834;	"Homo sapiens (Human)"	1.49337	25
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)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)"	1.37341	26
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	P21554	"Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)"	"G-protein coupled receptor 1 family"	CNR1	1268;	"Homo sapiens (Human)"	1.36745	27
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	P25105	"Platelet-activating factor receptor (PAF-R) (PAFr)"	"G-protein coupled receptor 1 family"	PTAFR	5724;	"Homo sapiens (Human)"	1.35622	28
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)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)"	1.33591	29
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	P43116	"Prostaglandin E2 receptor EP2 subtype (PGE receptor EP2 subtype) (PGE2 receptor EP2 subtype) (Prostanoid EP2 receptor)"	"G-protein coupled receptor 1 family"	PTGER2	5732;	"Homo sapiens (Human)"	1.2925	30
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)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)"	1.28664	31
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)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)"	1.21011	32
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	Q9BZJ6	"Probable G-protein coupled receptor 63 (PSP24-2) (PSP24-beta)"	"G-protein coupled receptor 1 family"	GPR63	81491;	"Homo sapiens (Human)"	1.2024	33
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	Q92769	"Histone deacetylase 2 (HD2) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC2	3066;	"Homo sapiens (Human)"	1.19822	34
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)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)"	1.1934	35
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)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)"	1.18615	36
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)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)"	1.17529	37
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	1.17396	38
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	Q92633	"Lysophosphatidic acid receptor 1 (LPA receptor 1) (LPA-1) (Lysophosphatidic acid receptor Edg-2)"	"G-protein coupled receptor 1 family"	LPAR1	1902;	"Homo sapiens (Human)"	1.15294	39
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)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)"	1.14673	40
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	Q04760	"Lactoylglutathione lyase (EC 4.4.1.5) (Aldoketomutase) (Glyoxalase I) (Glx I) (Ketone-aldehyde mutase) (Methylglyoxalase) (S-D-lactoylglutathione methylglyoxal lyase)"	"Glyoxalase I family"	GLO1	2739;	"Homo sapiens (Human)"	1.11746	41
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)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)"	1.1121	42
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	P43115	"Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 receptor EP3 subtype) (PGE2-R) (Prostanoid EP3 receptor)"	"G-protein coupled receptor 1 family"	PTGER3	5733;	"Homo sapiens (Human)"	1.10979	43
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	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)"	1.10148	44
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	P43119	"Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid IP receptor)"	"G-protein coupled receptor 1 family"	PTGIR	5739;	"Homo sapiens (Human)"	1.08882	45
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	1.07406	46
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	P37268	"Squalene synthase (SQS) (SS) (EC 2.5.1.21) (FPP:FPP farnesyltransferase) (Farnesyl-diphosphate farnesyltransferase)"	"Phytoene/squalene synthase family"	FDFT1	2222;	"Homo sapiens (Human)"	1.05311	47
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	P41145	"Kappa-type opioid receptor (K-OR-1) (KOR-1)"	"G-protein coupled receptor 1 family"	OPRK1	4986;	"Homo sapiens (Human)"	1.02549	48
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)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)"	1.02435	49
1	Untitled	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)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)"	1.01698	50