"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P08253	"72 kDa type IV collagenase (EC 3.4.24.24) (72 kDa gelatinase) (Gelatinase A) (Matrix metalloproteinase-2) (MMP-2) (TBE-1) [Cleaved into: PEX]"	"Peptidase M10A family"	MMP2	4313;	"Homo sapiens (Human)"	3.71887	1
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P35270	"Sepiapterin reductase (SPR) (EC 1.1.1.153)"	"Sepiapterin reductase family"	SPR	6697;	"Homo sapiens (Human)"	2.93971	2
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	2.86879	3
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	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)"	2.77212	4
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P25105	"Platelet-activating factor receptor (PAF-R) (PAFr)"	"G-protein coupled receptor 1 family"	PTAFR	5724;	"Homo sapiens (Human)"	2.67469	5
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	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)"	2.64414	6
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P78536	"Disintegrin and metalloproteinase domain-containing protein 17 (ADAM 17) (EC 3.4.24.86) (Snake venom-like protease) (TNF-alpha convertase) (TNF-alpha-converting enzyme) (CD antigen CD156b)"		ADAM17	6868;	"Homo sapiens (Human)"	2.56442	7
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	Q16581	"C3a anaphylatoxin chemotactic receptor (C3AR) (C3a-R)"	"G-protein coupled receptor 1 family"	C3AR1	719;	"Homo sapiens (Human)"	2.46959	8
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P45452	"Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)"	"Peptidase M10A family"	MMP13	4322;	"Homo sapiens (Human)"	2.3982	9
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	2.30351	10
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P14780	"Matrix metalloproteinase-9 (MMP-9) (EC 3.4.24.35) (92 kDa gelatinase) (92 kDa type IV collagenase) (Gelatinase B) (GELB) [Cleaved into: 67 kDa matrix metalloproteinase-9; 82 kDa matrix metalloproteinase-9]"	"Peptidase M10A family"	MMP9	4318;	"Homo sapiens (Human)"	2.28915	11
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	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	12
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	2.2336	13
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P08254	"Stromelysin-1 (SL-1) (EC 3.4.24.17) (Matrix metalloproteinase-3) (MMP-3) (Transin-1)"	"Peptidase M10A family"	MMP3	4314;	"Homo sapiens (Human)"	2.18569	14
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P22894	"Neutrophil collagenase (EC 3.4.24.34) (Matrix metalloproteinase-8) (MMP-8) (PMNL collagenase) (PMNL-CL)"	"Peptidase M10A family"	MMP8	4317;	"Homo sapiens (Human)"	2.1117	15
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	Q13547	"Histone deacetylase 1 (HD1) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC1	3065;	"Homo sapiens (Human)"	1.96577	16
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	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)"	1.79946	17
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P43119	"Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid IP receptor)"	"G-protein coupled receptor 1 family"	PTGIR	5739;	"Homo sapiens (Human)"	1.7755	18
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P06734	"Low affinity immunoglobulin epsilon Fc receptor (BLAST-2) (C-type lectin domain family 4 member J) (Fc-epsilon-RII) (Immunoglobulin E-binding factor) (Lymphocyte IgE receptor) (CD antigen CD23) [Cleaved into: Low affinity immunoglobulin epsilon Fc receptor membrane-bound form; Low affinity immunoglobulin epsilon Fc receptor soluble form]"		FCER2	2208;	"Homo sapiens (Human)"	1.7256	19
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.67946	20
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P09237	"Matrilysin (EC 3.4.24.23) (Matrin) (Matrix metalloproteinase-7) (MMP-7) (Pump-1 protease) (Uterine metalloproteinase)"	"Peptidase M10A family"	MMP7	4316;	"Homo sapiens (Human)"	1.67406	21
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P51677	"C-C chemokine receptor type 3 (C-C CKR-3) (CC-CKR-3) (CCR-3) (CCR3) (CKR3) (Eosinophil eotaxin receptor) (CD antigen CD193)"	"G-protein coupled receptor 1 family"	CCR3	1232;	"Homo sapiens (Human)"	1.65731	22
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P00734	"Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide fragment 1; Activation peptide fragment 2; Thrombin light chain; Thrombin heavy chain]"	"Peptidase S1 family"	F2	2147;	"Homo sapiens (Human)"	1.59871	23
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P50281	"Matrix metalloproteinase-14 (MMP-14) (EC 3.4.24.80) (MMP-X1) (Membrane-type matrix metalloproteinase 1) (MT-MMP 1) (MTMMP1) (Membrane-type-1 matrix metalloproteinase) (MT1-MMP) (MT1MMP)"	"Peptidase M10A family"	MMP14	4323;	"Homo sapiens (Human)"	1.58237	24
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	Q13363	"C-terminal-binding protein 1 (CtBP1) (EC 1.1.1.-)"	"D-isomer specific 2-hydroxyacid dehydrogenase family"	CTBP1	1487;	"Homo sapiens (Human)"	1.57707	25
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	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)"	1.5368	26
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P47775	"G-protein coupled receptor 12"	"G-protein coupled receptor 1 family"	GPR12	2835;	"Homo sapiens (Human)"	1.52619	27
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P10275	"Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C member 4)"	"Nuclear hormone receptor family, NR3 subfamily"	AR	367;	"Homo sapiens (Human)"	1.52378	28
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	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)"	1.49019	29
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	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)"	1.4809	30
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P0DMS8	"Adenosine receptor A3"	"G-protein coupled receptor 1 family"	ADORA3	140;	"Homo sapiens (Human)"	1.47096	31
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	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)"	1.46277	32
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	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)"	1.23553	33
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	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)"	1.22551	34
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P25021	"Histamine H2 receptor (H2R) (HH2R) (Gastric receptor I)"	"G-protein coupled receptor 1 family"	HRH2	3274;	"Homo sapiens (Human)"	1.22067	35
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	1.20999	36
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	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)"	1.19536	37
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	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)"	1.18562	38
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	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)"	1.15759	39
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	Q13258	"Prostaglandin D2 receptor (PGD receptor) (PGD2 receptor) (Prostanoid DP receptor)"	"G-protein coupled receptor 1 family"	PTGDR	5729;	"Homo sapiens (Human)"	1.15596	40
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P51582	"P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR)"	"G-protein coupled receptor 1 family"	P2RY4	5030;	"Homo sapiens (Human)"	1.15045	41
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P32246	"C-C chemokine receptor type 1 (C-C CKR-1) (CC-CKR-1) (CCR-1) (CCR1) (HM145) (LD78 receptor) (Macrophage inflammatory protein 1-alpha receptor) (MIP-1alpha-R) (RANTES-R) (CD antigen CD191)"	"G-protein coupled receptor 1 family"	CCR1	1230;	"Homo sapiens (Human)"	1.10005	42
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P07339	"Cathepsin D (EC 3.4.23.5) [Cleaved into: Cathepsin D light chain; Cathepsin D heavy chain]"	"Peptidase A1 family"	CTSD	1509;	"Homo sapiens (Human)"	1.07842	43
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P41143	"Delta-type opioid receptor (D-OR-1) (DOR-1)"	"G-protein coupled receptor 1 family"	OPRD1	4985;	"Homo sapiens (Human)"	1.07838	44
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	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)"	1.07201	45
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	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)"	1.04887	46
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P25103	"Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1)"	"G-protein coupled receptor 1 family"	TACR1	6869;	"Homo sapiens (Human)"	1.03949	47
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P32245	"Melanocortin receptor 4 (MC4-R)"	"G-protein coupled receptor 1 family"	MC4R	4160;	"Homo sapiens (Human)"	1.00434	48
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	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)"	1.00269	49
1	Untitled	CNC(=O)CSP(=O)(OC)OC	CNC(=O)CSP(=O)(OC)OC	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	0.99106	50