"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\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P43490	"Nicotinamide phosphoribosyltransferase (NAmPRTase) (Nampt) (EC 2.4.2.12) (Pre-B-cell colony-enhancing factor 1) (Pre-B cell-enhancing factor) (Visfatin)"	"NAPRTase family"	NAMPT	10135;	"Homo sapiens (Human)"	3.75206	1
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	3.5798	2
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	3.57659	3
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	3.18756	4
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P30411	"B2 bradykinin receptor (B2R) (BK-2 receptor)"	"G-protein coupled receptor 1 family, Bradykinin receptor subfamily, BDKRB2 sub-subfamily"	BDKRB2	624;	"Homo sapiens (Human)"	3.10608	5
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	3.08543	6
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	2.76434	7
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	Q13547	"Histone deacetylase 1 (HD1) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC1	3065;	"Homo sapiens (Human)"	2.67596	8
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P49286	"Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)"	"G-protein coupled receptor 1 family"	MTNR1B	4544;	"Homo sapiens (Human)"	2.66792	9
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P45452	"Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)"	"Peptidase M10A family"	MMP13	4322;	"Homo sapiens (Human)"	2.62499	10
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	2.57766	11
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	2.55674	12
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P10275	"Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C member 4)"	"Nuclear hormone receptor family, NR3 subfamily"	AR	367;	"Homo sapiens (Human)"	2.52664	13
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	2.45413	14
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P25105	"Platelet-activating factor receptor (PAF-R) (PAFr)"	"G-protein coupled receptor 1 family"	PTAFR	5724;	"Homo sapiens (Human)"	2.42225	15
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	2.38694	16
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	2.28518	17
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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	18
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	2.27201	19
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	2.07849	20
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	Q92769	"Histone deacetylase 2 (HD2) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC2	3066;	"Homo sapiens (Human)"	2.00956	21
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P41143	"Delta-type opioid receptor (D-OR-1) (DOR-1)"	"G-protein coupled receptor 1 family"	OPRD1	4985;	"Homo sapiens (Human)"	1.97681	22
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	1.7877	23
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	1.76187	24
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	1.73905	25
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	1.72728	26
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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	27
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	1.52405	28
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	1.48726	29
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	O15379	"Histone deacetylase 3 (HD3) (EC 3.5.1.98) (RPD3-2) (SMAP45)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC3	8841;	"Homo sapiens (Human)"	1.37919	30
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P30542	"Adenosine receptor A1"	"G-protein coupled receptor 1 family"	ADORA1	134;	"Homo sapiens (Human)"	1.36398	31
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	1.3433	32
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	1.33209	33
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P32245	"Melanocortin receptor 4 (MC4-R)"	"G-protein coupled receptor 1 family"	MC4R	4160;	"Homo sapiens (Human)"	1.27776	34
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	1.27192	35
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P41145	"Kappa-type opioid receptor (K-OR-1) (KOR-1)"	"G-protein coupled receptor 1 family"	OPRK1	4986;	"Homo sapiens (Human)"	1.2671	36
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	1.24058	37
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P31213	"3-oxo-5-alpha-steroid 4-dehydrogenase 2 (EC 1.3.1.22) (5 alpha-SR2) (SR type 2) (Steroid 5-alpha-reductase 2) (S5AR 2) (Type II 5-alpha reductase)"	"Steroid 5-alpha reductase family"	SRD5A2	6716;	"Homo sapiens (Human)"	1.18025	38
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P08908	"5-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A)"	"G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamily"	HTR1A	3350;	"Homo sapiens (Human)"	1.17983	39
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	1.16918	40
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	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)"	1.16306	41
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P06401	"Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member 3)"	"Nuclear hormone receptor family, NR3 subfamily"	PGR	5241;	"Homo sapiens (Human)"	1.13294	42
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P0DMS8	"Adenosine receptor A3"	"G-protein coupled receptor 1 family"	ADORA3	140;	"Homo sapiens (Human)"	1.12572	43
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P25103	"Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1)"	"G-protein coupled receptor 1 family"	TACR1	6869;	"Homo sapiens (Human)"	1.10084	44
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P47775	"G-protein coupled receptor 12"	"G-protein coupled receptor 1 family"	GPR12	2835;	"Homo sapiens (Human)"	1.09794	45
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	Q9UBN7	"Histone deacetylase 6 (HD6) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 2 subfamily"	HDAC6	10013;	"Homo sapiens (Human)"	1.08416	46
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P35968	"Vascular endothelial growth factor receptor 2 (VEGFR-2) (EC 2.7.10.1) (Fetal liver kinase 1) (FLK-1) (Kinase insert domain receptor) (KDR) (Protein-tyrosine kinase receptor flk-1) (CD antigen CD309)"	"Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamily"	KDR	3791;	"Homo sapiens (Human)"	1.08004	47
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	1.07836	48
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P29274	"Adenosine receptor A2a"	"G-protein coupled receptor 1 family"	ADORA2A	135;	"Homo sapiens (Human)"	1.06175	49
1	Untitled	"C/C(=C\C(=O)NC)/OP(=O)(OC)OC"	"CNC(=O)/C=C(/OP(=O)(OC)OC)\C"	P01375	"Tumor necrosis factor (Cachectin) (TNF-alpha) (Tumor necrosis factor ligand superfamily member 2) (TNF-a) [Cleaved into: Tumor necrosis factor, membrane form (N-terminal fragment) (NTF); Intracellular domain 1 (ICD1); Intracellular domain 2 (ICD2); C-domain 1; C-domain 2; Tumor necrosis factor, soluble form]"	"Tumor necrosis factor family"	TNF	7124;	"Homo sapiens (Human)"	1.05986	50