"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P39086	"Glutamate receptor ionotropic, kainate 1 (GluK1) (Excitatory amino acid receptor 3) (EAA3) (Glutamate receptor 5) (GluR-5) (GluR5)"	"Glutamate-gated ion channel (TC 1.A.10.1) family, GRIK1 subfamily"	GRIK1	2897;	"Homo sapiens (Human)"	2.91573	1
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	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)"	2.88974	2
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	Q99538	"Legumain (EC 3.4.22.34) (Asparaginyl endopeptidase) (Protease, cysteine 1)"	"Peptidase C13 family"	LGMN	5641;	"Homo sapiens (Human)"	2.81243	3
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P13866	"Sodium/glucose cotransporter 1 (Na(+)/glucose cotransporter 1) (High affinity sodium-glucose cotransporter) (Solute carrier family 5 member 1)"	"Sodium:solute symporter (SSF) (TC 2.A.21) family"	SLC5A1	6523;	"Homo sapiens (Human)"	2.76247	4
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	Q13002	"Glutamate receptor ionotropic, kainate 2 (GluK2) (Excitatory amino acid receptor 4) (EAA4) (Glutamate receptor 6) (GluR-6) (GluR6)"	"Glutamate-gated ion channel (TC 1.A.10.1) family, GRIK2 subfamily"	GRIK2	2898;	"Homo sapiens (Human)"	2.47637	5
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	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)"	2.47187	6
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	O94760	"N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (DDAH-1) (Dimethylarginine dimethylaminohydrolase 1) (EC 3.5.3.18) (DDAHI) (Dimethylargininase-1)"	"DDAH family"	DDAH1	23576;	"Homo sapiens (Human)"	2.27849	7
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P41143	"Delta-type opioid receptor (D-OR-1) (DOR-1)"	"G-protein coupled receptor 1 family"	OPRD1	4985;	"Homo sapiens (Human)"	2.26139	8
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	Q9Y2Q3	"Glutathione S-transferase kappa 1 (EC 2.5.1.18) (GST 13-13) (GST class-kappa) (GSTK1-1) (hGSTK1) (Glutathione S-transferase subunit 13)"	"GST superfamily, Kappa family"	GSTK1	373156;	"Homo sapiens (Human)"	2.17022	9
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	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)"	2.08914	10
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P09960	"Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)"	"Peptidase M1 family"	LTA4H	4048;	"Homo sapiens (Human)"	2.01415	11
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	O00222	"Metabotropic glutamate receptor 8 (mGluR8)"	"G-protein coupled receptor 3 family"	GRM8	2918;	"Homo sapiens (Human)"	1.91805	12
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P00480	"Ornithine carbamoyltransferase, mitochondrial (EC 2.1.3.3) (Ornithine transcarbamylase) (OTCase)"	"ATCase/OTCase family"	OTC	5009;	"Homo sapiens (Human)"	1.82919	13
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P48058	"Glutamate receptor 4 (GluR-4) (GluR4) (AMPA-selective glutamate receptor 4) (GluR-D) (Glutamate receptor ionotropic, AMPA 4) (GluA4)"	"Glutamate-gated ion channel (TC 1.A.10.1) family, GRIA4 subfamily"	GRIA4	2893;	"Homo sapiens (Human)"	1.77016	14
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	Q9UBS5	"Gamma-aminobutyric acid type B receptor subunit 1 (GABA-B receptor 1) (GABA-B-R1) (GABA-BR1) (GABABR1) (Gb1)"	"G-protein coupled receptor 3 family, GABA-B receptor subfamily"	GABBR1	2550;	"Homo sapiens (Human)"	1.74625	15
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P42262	"Glutamate receptor 2 (GluR-2) (AMPA-selective glutamate receptor 2) (GluR-B) (GluR-K2) (Glutamate receptor ionotropic, AMPA 2) (GluA2)"	"Glutamate-gated ion channel (TC 1.A.10.1) family, GRIA2 subfamily"	GRIA2	2891;	"Homo sapiens (Human)"	1.70037	16
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	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)"	1.68719	17
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	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)"	1.59565	18
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P05089	"Arginase-1 (EC 3.5.3.1) (Liver-type arginase) (Type I arginase)"	"Arginase family"	ARG1	383;	"Homo sapiens (Human)"	1.59542	19
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	Q8IU80	"Transmembrane protease serine 6 (EC 3.4.21.-) (Matriptase-2)"	"Peptidase S1 family"	TMPRSS6	164656;	"Homo sapiens (Human)"	1.56517	20
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P32929	"Cystathionine gamma-lyase (EC 4.4.1.1) (Cysteine-protein sulfhydrase) (Gamma-cystathionase)"	"Trans-sulfuration enzymes family"	CTH	1491;	"Homo sapiens (Human)"	1.55523	21
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P10828	"Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A member 2) (c-erbA-2) (c-erbA-beta)"	"Nuclear hormone receptor family, NR1 subfamily"	THRB	7068;	"Homo sapiens (Human)"	1.54537	22
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	Q04609	"Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) (Folate hydrolase 1) (Folylpoly-gamma-glutamate carboxypeptidase) (FGCP) (Glutamate carboxypeptidase II) (GCPII) (Membrane glutamate carboxypeptidase) (mGCP) (N-acetylated-alpha-linked acidic dipeptidase I) (NAALADase I) (Prostate-specific membrane antigen) (PSM) (PSMA) (Pteroylpoly-gamma-glutamate carboxypeptidase)"	"Peptidase M28 family, M28B subfamily"	FOLH1	2346;	"Homo sapiens (Human)"	1.50929	23
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	Q16478	"Glutamate receptor ionotropic, kainate 5 (GluK5) (Excitatory amino acid receptor 2) (EAA2) (Glutamate receptor KA-2) (KA2)"	"Glutamate-gated ion channel (TC 1.A.10.1) family, GRIK5 subfamily"	GRIK5	2901;	"Homo sapiens (Human)"	1.50917	24
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P28223	"5-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)"	"G-protein coupled receptor 1 family"	HTR2A	3356;	"Homo sapiens (Human)"	1.41198	25
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	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)"	1.38483	26
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	Q13547	"Histone deacetylase 1 (HD1) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC1	3065;	"Homo sapiens (Human)"	1.36937	27
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	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)"	1.34522	28
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P07288	"Prostate-specific antigen (PSA) (EC 3.4.21.77) (Gamma-seminoprotein) (Seminin) (Kallikrein-3) (P-30 antigen) (Semenogelase)"	"Peptidase S1 family, Kallikrein subfamily"	KLK3	354;	"Homo sapiens (Human)"	1.27933	29
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P78540	"Arginase-2, mitochondrial (EC 3.5.3.1) (Arginase II) (Kidney-type arginase) (Non-hepatic arginase) (Type II arginase)"	"Arginase family"	ARG2	384;	"Homo sapiens (Human)"	1.26753	30
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P35354	"Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) (Prostaglandin H2 synthase 2) (PGH synthase 2) (PGHS-2) (Prostaglandin-endoperoxide synthase 2)"	"Prostaglandin G/H synthase family"	PTGS2	5743;	"Homo sapiens (Human)"	1.24486	31
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P07384	"Calpain-1 catalytic subunit (EC 3.4.22.52) (Calcium-activated neutral proteinase 1) (CANP 1) (Calpain mu-type) (Calpain-1 large subunit) (Cell proliferation-inducing gene 30 protein) (Micromolar-calpain) (muCANP)"	"Peptidase C2 family"	CAPN1	823;	"Homo sapiens (Human)"	1.21508	32
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P09211	"Glutathione S-transferase P (EC 2.5.1.18) (GST class-pi) (GSTP1-1)"	"GST superfamily, Pi family"	GSTP1	2950;	"Homo sapiens (Human)"	1.20995	33
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P10827	"Thyroid hormone receptor alpha (Nuclear receptor subfamily 1 group A member 1) (V-erbA-related protein 7) (EAR-7) (c-erbA-1) (c-erbA-alpha)"	"Nuclear hormone receptor family, NR1 subfamily"	THRA	7067;	"Homo sapiens (Human)"	1.19686	34
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	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)"	1.19632	35
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	1.19615	36
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	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)"	1.17749	37
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P42263	"Glutamate receptor 3 (GluR-3) (AMPA-selective glutamate receptor 3) (GluR-C) (GluR-K3) (Glutamate receptor ionotropic, AMPA 3) (GluA3)"	"Glutamate-gated ion channel (TC 1.A.10.1) family, GRIA3 subfamily"	GRIA3	2892;	"Homo sapiens (Human)"	1.16995	38
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	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)"	1.15543	39
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P43003	"Excitatory amino acid transporter 1 (Sodium-dependent glutamate/aspartate transporter 1) (GLAST-1) (Solute carrier family 1 member 3)"	"Dicarboxylate/amino acid:cation symporter (DAACS) (TC 2.A.23) family, SLC1A3 subfamily"	SLC1A3	6507;	"Homo sapiens (Human)"	1.12379	40
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	Q16099	"Glutamate receptor ionotropic, kainate 4 (GluK4) (Excitatory amino acid receptor 1) (EAA1) (Glutamate receptor KA-1) (KA1)"	"Glutamate-gated ion channel (TC 1.A.10.1) family, GRIK4 subfamily"	GRIK4	2900;	"Homo sapiens (Human)"	1.12304	41
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	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)"	1.12244	42
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	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)"	1.11465	43
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	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)"	1.10798	44
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P21731	"Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)"	"G-protein coupled receptor 1 family"	TBXA2R	6915;	"Homo sapiens (Human)"	1.10298	45
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P14324	"Farnesyl pyrophosphate synthase (FPP synthase) (FPS) (EC 2.5.1.10) ((2E,6E)-farnesyl diphosphate synthase) (Dimethylallyltranstransferase) (EC 2.5.1.1) (Farnesyl diphosphate synthase) (Geranyltranstransferase)"	"FPP/GGPP synthase family"	FDPS	2224;	"Homo sapiens (Human)"	1.0964	46
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P62993	"Growth factor receptor-bound protein 2 (Adapter protein GRB2) (Protein Ash) (SH2/SH3 adapter GRB2)"	"GRB2/sem-5/DRK family"	GRB2	2885;	"Homo sapiens (Human)"	1.08598	47
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P08473	"Neprilysin (EC 3.4.24.11) (Atriopeptidase) (Common acute lymphocytic leukemia antigen) (CALLA) (Enkephalinase) (Neutral endopeptidase 24.11) (NEP) (Neutral endopeptidase) (Skin fibroblast elastase) (SFE) (CD antigen CD10)"	"Peptidase M13 family"	MME	4311;	"Homo sapiens (Human)"	1.08429	48
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	1.0771	49
1	Untitled	C(C(C(=O)O)N)C(=O)N	NC(=O)CC(C(=O)O)N	P43004	"Excitatory amino acid transporter 2 (Glutamate/aspartate transporter II) (Sodium-dependent glutamate/aspartate transporter 2) (Solute carrier family 1 member 2)"	"Dicarboxylate/amino acid:cation symporter (DAACS) (TC 2.A.23) family, SLC1A2 subfamily"	SLC1A2	6506;	"Homo sapiens (Human)"	1.06039	50