"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)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)"	3.2515	1
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	P25105	"Platelet-activating factor receptor (PAF-R) (PAFr)"	"G-protein coupled receptor 1 family"	PTAFR	5724;	"Homo sapiens (Human)"	3.07818	2
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	O43193	"Motilin receptor (G-protein coupled receptor 38)"	"G-protein coupled receptor 1 family"	MLNR	2862;	"Homo sapiens (Human)"	2.77835	3
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	Q03426	"Mevalonate kinase (MK) (EC 2.7.1.36)"	"GHMP kinase family, Mevalonate kinase subfamily"	MVK	4598;	"Homo sapiens (Human)"	2.2336	4
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	P48039	"Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)"	"G-protein coupled receptor 1 family"	MTNR1A	4543;	"Homo sapiens (Human)"	2.19577	5
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	P12872	"Promotilin [Cleaved into: Motilin; Motilin-associated peptide (MAP)]"	"Motilin family"	MLN	4295;	"Homo sapiens (Human)"	1.99688	6
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)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)"	1.7451	7
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	Q9HBX9	"Relaxin receptor 1 (Leucine-rich repeat-containing G-protein coupled receptor 7) (Relaxin family peptide receptor 1)"	"G-protein coupled receptor 1 family"	RXFP1	59350;	"Homo sapiens (Human)"	1.68852	8
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	P47901	"Vasopressin V1b receptor (V1bR) (AVPR V1b) (AVPR V3) (Antidiuretic hormone receptor 1b) (Vasopressin V3 receptor)"	"G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamily"	AVPR1B	553;	"Homo sapiens (Human)"	1.68571	9
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	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)"	1.68423	10
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	Q05655	"Protein kinase C delta type (EC 2.7.11.13) (Tyrosine-protein kinase PRKCD) (EC 2.7.10.2) (nPKC-delta) [Cleaved into: Protein kinase C delta type regulatory subunit; Protein kinase C delta type catalytic subunit (Sphingosine-dependent protein kinase-1) (SDK1)]"	"Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamily"	PRKCD	5580;	"Homo sapiens (Human)"	1.67444	11
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	P22303	"Acetylcholinesterase (AChE) (EC 3.1.1.7)"	"Type-B carboxylesterase/lipase family"	ACHE	43;	"Homo sapiens (Human)"	1.67369	12
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	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)"	1.6491	13
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	P17252	"Protein kinase C alpha type (PKC-A) (PKC-alpha) (EC 2.7.11.13)"	"Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamily"	PRKCA	5578;	"Homo sapiens (Human)"	1.62639	14
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	Q9Y263	"Phospholipase A-2-activating protein (PLA2P) (PLAP)"	"WD repeat PLAP family"	PLAA	9373;	"Homo sapiens (Human)"	1.604	15
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)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)"	1.52699	16
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	P47775	"G-protein coupled receptor 12"	"G-protein coupled receptor 1 family"	GPR12	2835;	"Homo sapiens (Human)"	1.52619	17
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	P29475	"Nitric oxide synthase, brain (EC 1.14.13.39) (Constitutive NOS) (NC-NOS) (NOS type I) (Neuronal NOS) (N-NOS) (nNOS) (Peptidyl-cysteine S-nitrosylase NOS1) (bNOS)"	"NOS family"	NOS1	4842;	"Homo sapiens (Human)"	1.46192	18
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	Q13363	"C-terminal-binding protein 1 (CtBP1) (EC 1.1.1.-)"	"D-isomer specific 2-hydroxyacid dehydrogenase family"	CTBP1	1487;	"Homo sapiens (Human)"	1.44536	19
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	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)"	1.42647	20
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	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)"	1.42563	21
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	Q8WXD0	"Relaxin receptor 2 (G-protein coupled receptor 106) (G-protein coupled receptor affecting testicular descent) (Leucine-rich repeat-containing G-protein coupled receptor 8) (Relaxin family peptide receptor 2)"	"G-protein coupled receptor 1 family"	RXFP2	122042;	"Homo sapiens (Human)"	1.39476	22
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	P08238	"Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 kDa) (HSP 84) (HSP84)"	"Heat shock protein 90 family"	HSP90AB1	3326;	"Homo sapiens (Human)"	1.39109	23
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	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)"	1.33705	24
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	P34998	"Corticotropin-releasing factor receptor 1 (CRF-R-1) (CRF-R1) (CRFR-1) (Corticotropin-releasing hormone receptor 1) (CRH-R-1) (CRH-R1)"	"G-protein coupled receptor 2 family"	CRHR1	104909134;1394;	"Homo sapiens (Human)"	1.23566	25
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	P35228	"Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible NO synthase) (Inducible NOS) (iNOS) (NOS type II) (Peptidyl-cysteine S-nitrosylase NOS2)"	"NOS family"	NOS2	4843;	"Homo sapiens (Human)"	1.22973	26
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)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)"	1.18541	27
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	1.1775	28
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)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)"	1.09903	29
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)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)"	1.07477	30
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	Q99705	"Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein coupled receptor 24) (MCH-1R) (MCH1R) (MCHR) (SLC-1) (Somatostatin receptor-like protein)"	"G-protein coupled receptor 1 family"	MCHR1	2847;	"Homo sapiens (Human)"	1.06103	31
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)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)"	1.0329	32
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	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)"	0.968149	33
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)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)"	0.963094	34
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	P0DMS8	"Adenosine receptor A3"	"G-protein coupled receptor 1 family"	ADORA3	140;	"Homo sapiens (Human)"	0.936735	35
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	Q9NUW8	"Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)"	"Tyrosyl-DNA phosphodiesterase family"	TDP1	55775;	"Homo sapiens (Human)"	0.930842	36
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	P51582	"P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR)"	"G-protein coupled receptor 1 family"	P2RY4	5030;	"Homo sapiens (Human)"	0.911988	37
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	Q13547	"Histone deacetylase 1 (HD1) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC1	3065;	"Homo sapiens (Human)"	0.882504	38
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	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)"	0.880386	39
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	O00519	"Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide hydrolase 1)"	"Amidase family"	FAAH	2166;	"Homo sapiens (Human)"	0.835086	40
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	Q92769	"Histone deacetylase 2 (HD2) (EC 3.5.1.98)"	"Histone deacetylase family, HD type 1 subfamily"	HDAC2	3066;	"Homo sapiens (Human)"	0.818716	41
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	Q15119	"[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (EC 2.7.11.2) (Pyruvate dehydrogenase kinase isoform 2) (PDH kinase 2) (PDKII)"	"PDK/BCKDK protein kinase family"	PDK2	5164;	"Homo sapiens (Human)"	0.808312	42
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	Q13304	"Uracil nucleotide/cysteinyl leukotriene receptor (UDP/CysLT receptor) (G-protein coupled receptor 17) (P2Y-like receptor) (R12)"	"G-protein coupled receptor 1 family"	GPR17	2840;	"Homo sapiens (Human)"	0.764442	43
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	P78527	"DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC 2.7.11.1) (DNPK1) (p460)"	"PI3/PI4-kinase family"	PRKDC	5591;	"Homo sapiens (Human)"	0.76233	44
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	Q15077	"P2Y purinoceptor 6 (P2Y6)"	"G-protein coupled receptor 1 family"	P2RY6	5031;	"Homo sapiens (Human)"	0.759688	45
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)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)"	0.747288	46
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	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)"	0.732662	47
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	P11511	"Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen synthase)"	"Cytochrome P450 family"	CYP19A1	1588;	"Homo sapiens (Human)"	0.725997	48
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	P31749	"RAC-alpha serine/threonine-protein kinase (EC 2.7.11.1) (Protein kinase B) (PKB) (Protein kinase B alpha) (PKB alpha) (Proto-oncogene c-Akt) (RAC-PK-alpha)"	"Protein kinase superfamily, AGC Ser/Thr protein kinase family, RAC subfamily"	AKT1	207;	"Homo sapiens (Human)"	0.723206	49
1	Untitled	CCC(C)SP(=O)(OCC)SC(C)CC	CCOP(=O)(SC(CC)C)SC(CC)C	P31644	"Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A) receptor subunit alpha-5)"	"Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC 1.A.9.5) subfamily, GABRA5 sub-subfamily"	GABRA5	2558;	"Homo sapiens (Human)"	0.706144	50