"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	4.06588	1
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	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)"	3.98132	2
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P45452	"Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)"	"Peptidase M10A family"	MMP13	4322;	"Homo sapiens (Human)"	3.96056	3
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	3.8505	4
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	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)"	3.04701	5
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P39900	"Macrophage metalloelastase (MME) (EC 3.4.24.65) (Macrophage elastase) (ME) (hME) (Matrix metalloproteinase-12) (MMP-12)"	"Peptidase M10A family"	MMP12	4321;	"Homo sapiens (Human)"	2.63364	6
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	2.61327	7
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	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)"	2.26736	8
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	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)"	2.26242	9
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	Q12882	"Dihydropyrimidine dehydrogenase [NADP(+)] (DHPDHase) (DPD) (EC 1.3.1.2) (Dihydrothymine dehydrogenase) (Dihydrouracil dehydrogenase)"	"Dihydropyrimidine dehydrogenase family"	DPYD	1806;	"Homo sapiens (Human)"	2.25572	10
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P21917	"D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)"	"G-protein coupled receptor 1 family"	DRD4	1815;	"Homo sapiens (Human)"	2.11488	11
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	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)"	2.0556	12
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	2.0168	13
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P42261	"Glutamate receptor 1 (GluR-1) (AMPA-selective glutamate receptor 1) (GluR-A) (GluR-K1) (Glutamate receptor ionotropic, AMPA 1) (GluA1)"	"Glutamate-gated ion channel (TC 1.A.10.1) family, GRIA1 subfamily"	GRIA1	2890;	"Homo sapiens (Human)"	2.01643	14
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	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)"	1.84952	15
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	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)"	1.78923	16
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P04818	"Thymidylate synthase (TS) (TSase) (EC 2.1.1.45)"	"Thymidylate synthase family"	TYMS	7298;	"Homo sapiens (Human)"	1.73341	17
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	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)"	1.65474	18
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	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)"	1.65084	19
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	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)"	1.61546	20
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P10275	"Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C member 4)"	"Nuclear hormone receptor family, NR3 subfamily"	AR	367;	"Homo sapiens (Human)"	1.56392	21
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	Q92731	"Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A member 2)"	"Nuclear hormone receptor family, NR3 subfamily"	ESR2	2100;	"Homo sapiens (Human)"	1.52878	22
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P04183	"Thymidine kinase, cytosolic (EC 2.7.1.21)"	"Thymidine kinase family"	TK1	7083;	"Homo sapiens (Human)"	1.51867	23
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P15121	"Aldo-keto reductase family 1 member B1 (EC 1.1.1.300) (EC 1.1.1.372) (EC 1.1.1.54) (Aldehyde reductase) (Aldose reductase) (AR) (EC 1.1.1.21)"	"Aldo/keto reductase family"	AKR1B1	231;	"Homo sapiens (Human)"	1.49248	24
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P0DMS8	"Adenosine receptor A3"	"G-protein coupled receptor 1 family"	ADORA3	140;	"Homo sapiens (Human)"	1.4757	25
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	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)"	1.44406	26
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P34972	"Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)"	"G-protein coupled receptor 1 family"	CNR2	1269;	"Homo sapiens (Human)"	1.38676	27
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	Q9NUW8	"Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)"	"Tyrosyl-DNA phosphodiesterase family"	TDP1	55775;	"Homo sapiens (Human)"	1.36178	28
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	Q15391	"P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)"	"G-protein coupled receptor 1 family"	P2RY14	9934;	"Homo sapiens (Human)"	1.32619	29
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P35462	"D(3) dopamine receptor (Dopamine D3 receptor)"	"G-protein coupled receptor 1 family"	DRD3	1814;	"Homo sapiens (Human)"	1.31837	30
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P00748	"Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: Coagulation factor XIIa heavy chain; Beta-factor XIIa part 1; Coagulation factor XIIa light chain (Beta-factor XIIa part 2)]"	"Peptidase S1 family"	F12	2161;	"Homo sapiens (Human)"	1.31216	31
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	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)"	1.28908	32
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	O00519	"Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide hydrolase 1)"	"Amidase family"	FAAH	2166;	"Homo sapiens (Human)"	1.27606	33
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	Q15077	"P2Y purinoceptor 6 (P2Y6)"	"G-protein coupled receptor 1 family"	P2RY6	5031;	"Homo sapiens (Human)"	1.24046	34
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	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)"	1.23983	35
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P11172	"Uridine 5'-monophosphate synthase (UMP synthase) [Includes: Orotate phosphoribosyltransferase (OPRT) (OPRTase) (EC 2.4.2.10); Orotidine 5'-phosphate decarboxylase (ODC) (EC 4.1.1.23) (OMPdecase)]"	"Purine/pyrimidine phosphoribosyltransferase family; OMP decarboxylase family"	UMPS	7372;	"Homo sapiens (Human)"	1.20727	36
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P41594	"Metabotropic glutamate receptor 5 (mGluR5)"	"G-protein coupled receptor 3 family"	GRM5	2915;	"Homo sapiens (Human)"	1.20047	37
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	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)"	1.16343	38
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	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)"	1.15703	39
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	Q15910	"Histone-lysine N-methyltransferase EZH2 (EC 2.1.1.43) (ENX-1) (Enhancer of zeste homolog 2) (Lysine N-methyltransferase 6)"	"Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, EZ subfamily"	EZH2	2146;	"Homo sapiens (Human)"	1.09899	40
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P29275	"Adenosine receptor A2b"	"G-protein coupled receptor 1 family"	ADORA2B	136;	"Homo sapiens (Human)"	1.08688	41
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	O15554	"Intermediate conductance calcium-activated potassium channel protein 4 (SK4) (SKCa 4) (SKCa4) (IKCa1) (IK1) (KCa3.1) (KCa4) (Putative Gardos channel)"	"Potassium channel KCNN family, KCa3.1/KCNN4 subfamily"	KCNN4	3783;	"Homo sapiens (Human)"	1.08507	42
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P09874	"Poly [ADP-ribose] polymerase 1 (PARP-1) (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like 1) (ARTD1) (DNA ADP-ribosyltransferase PARP1) (EC 2.4.2.-) (NAD(+) ADP-ribosyltransferase 1) (ADPRT 1) (Poly[ADP-ribose] synthase 1) (Protein poly-ADP-ribosyltransferase PARP1) (EC 2.4.2.-)"		PARP1	142;	"Homo sapiens (Human)"	1.04499	43
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P11511	"Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen synthase)"	"Cytochrome P450 family"	CYP19A1	1588;	"Homo sapiens (Human)"	1.00487	44
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	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)"	0.980292	45
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	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)"	0.977323	46
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P07550	"Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamily"	ADRB2	154;	"Homo sapiens (Human)"	0.963445	47
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	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)"	0.949965	48
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P49841	"Glycogen synthase kinase-3 beta (GSK-3 beta) (EC 2.7.11.26) (Serine/threonine-protein kinase GSK3B) (EC 2.7.11.1)"	"Protein kinase superfamily, CMGC Ser/Thr protein kinase family, GSK-3 subfamily"	GSK3B	2932;	"Homo sapiens (Human)"	0.930195	49
1	Untitled	C1=C(C(=O)NC(=C1Cl)Cl)Cl	Clc1[nH]c(=O)c(cc1Cl)Cl	P19971	"Thymidine phosphorylase (TP) (EC 2.4.2.4) (Gliostatin) (Platelet-derived endothelial cell growth factor) (PD-ECGF) (TdRPase)"	"Thymidine/pyrimidine-nucleoside phosphorylase family"	TYMP	1890;	"Homo sapiens (Human)"	0.925488	50