"Compound ID"	"Compound name"	"Original SMILES"	"Prepared SMILES"	"Target ID"	"Protein name"	"Protein family"	"Gene symbol"	"Gene ID"	Organism	Score	Rank
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P35368	"Alpha-1B adrenergic receptor (Alpha-1B adrenoreceptor) (Alpha-1B adrenoceptor)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1B sub-subfamily"	ADRA1B	147;	"Homo sapiens (Human)"	2.90062	1
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P25100	"Alpha-1D adrenergic receptor (Alpha-1A adrenergic receptor) (Alpha-1D adrenoreceptor) (Alpha-1D adrenoceptor) (Alpha-adrenergic receptor 1a)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1D sub-subfamily"	ADRA1D	146;	"Homo sapiens (Human)"	2.63125	2
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P23975	"Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 member 2)"	"Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamily"	SLC6A2	6530;	"Homo sapiens (Human)"	2.36366	Known
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P35348	"Alpha-1A adrenergic receptor (Alpha-1A adrenoreceptor) (Alpha-1A adrenoceptor) (Alpha-1C adrenergic receptor) (Alpha-adrenergic receptor 1c)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1A sub-subfamily"	ADRA1A	148;	"Homo sapiens (Human)"	2.20427	3
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P35462	"D(3) dopamine receptor (Dopamine D3 receptor)"	"G-protein coupled receptor 1 family"	DRD3	1814;	"Homo sapiens (Human)"	2.09317	4
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	Q01959	"Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 member 3)"	"Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamily"	SLC6A3	6531;	"Homo sapiens (Human)"	1.91921	Known
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P50406	"5-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)"	"G-protein coupled receptor 1 family"	HTR6	3362;	"Homo sapiens (Human)"	1.90661	5
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P35367	"Histamine H1 receptor (H1R) (HH1R)"	"G-protein coupled receptor 1 family"	HRH1	3269;	"Homo sapiens (Human)"	1.83577	6
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P28335	"5-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) (5-HT1C) (Serotonin receptor 2C)"	"G-protein coupled receptor 1 family"	HTR2C	3358;	"Homo sapiens (Human)"	1.79957	7
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)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)"	1.69788	8
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P34969	"5-hydroxytryptamine receptor 7 (5-HT-7) (5-HT7) (5-HT-X) (Serotonin receptor 7)"	"G-protein coupled receptor 1 family"	HTR7	3363;	"Homo sapiens (Human)"	1.55229	9
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P0DMS8	"Adenosine receptor A3"	"G-protein coupled receptor 1 family"	ADORA3	140;	"Homo sapiens (Human)"	1.47351	10
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P14416	"D(2) dopamine receptor (Dopamine D2 receptor)"	"G-protein coupled receptor 1 family"	DRD2	1813;	"Homo sapiens (Human)"	1.46481	11
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P11229	"Muscarinic acetylcholine receptor M1"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 sub-subfamily"	CHRM1	1128;	"Homo sapiens (Human)"	1.38646	12
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P08912	"Muscarinic acetylcholine receptor M5"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM5 sub-subfamily"	CHRM5	1133;	"Homo sapiens (Human)"	1.29423	13
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	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)"	1.25962	14
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P20309	"Muscarinic acetylcholine receptor M3"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 sub-subfamily"	CHRM3	1131;	"Homo sapiens (Human)"	1.246	15
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P31645	"Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family 6 member 4)"	"Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamily"	SLC6A4	6532;	"Homo sapiens (Human)"	1.20588	Known
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P18825	"Alpha-2C adrenergic receptor (Alpha-2 adrenergic receptor subtype C4) (Alpha-2C adrenoreceptor) (Alpha-2C adrenoceptor) (Alpha-2CAR)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2C sub-subfamily"	ADRA2C	152;	"Homo sapiens (Human)"	1.19985	Known
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	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)"	1.18247	16
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P08172	"Muscarinic acetylcholine receptor M2"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 sub-subfamily"	CHRM2	1129;	"Homo sapiens (Human)"	1.14869	17
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	Q13490	"Baculoviral IAP repeat-containing protein 2 (EC 2.3.2.27) (Cellular inhibitor of apoptosis 1) (C-IAP1) (IAP homolog B) (Inhibitor of apoptosis protein 2) (hIAP-2) (hIAP2) (RING finger protein 48) (RING-type E3 ubiquitin transferase BIRC2) (TNFR2-TRAF-signaling complex protein 2)"	"IAP family"	BIRC2	329;	"Homo sapiens (Human)"	1.11784	18
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	Q9Y2I1	"Nischarin (Imidazoline receptor 1) (I-1) (IR1) (Imidazoline receptor antisera-selected protein) (hIRAS) (Imidazoline-1 receptor) (I1R) (Imidazoline-1 receptor candidate protein) (I-1 receptor candidate protein) (I1R candidate protein)"		NISCH	11188;	"Homo sapiens (Human)"	1.10519	19
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P41595	"5-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)"	"G-protein coupled receptor 1 family"	HTR2B	3357;	"Homo sapiens (Human)"	1.10294	20
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P21917	"D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)"	"G-protein coupled receptor 1 family"	DRD4	1815;	"Homo sapiens (Human)"	1.09493	21
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P28221	"5-hydroxytryptamine receptor 1D (5-HT-1D) (5-HT1D) (Serotonin 1D alpha receptor) (5-HT-1D-alpha) (Serotonin receptor 1D)"	"G-protein coupled receptor 1 family"	HTR1D	3352;	"Homo sapiens (Human)"	1.08311	22
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P18089	"Alpha-2B adrenergic receptor (Alpha-2 adrenergic receptor subtype C2) (Alpha-2B adrenoreceptor) (Alpha-2B adrenoceptor) (Alpha-2BAR)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2B sub-subfamily"	ADRA2B	151;	"Homo sapiens (Human)"	1.06883	Known
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)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)"	1.04963	23
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)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)"	1.03814	24
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P21728	"D(1A) dopamine receptor (Dopamine D1 receptor)"	"G-protein coupled receptor 1 family"	DRD1	1812;	"Homo sapiens (Human)"	0.999442	25
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	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)"	0.971157	26
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	Q96RJ0	"Trace amine-associated receptor 1 (TaR-1) (Trace amine receptor 1)"	"G-protein coupled receptor 1 family"	TAAR1	134864;	"Homo sapiens (Human)"	0.929235	27
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	Q12809	"Potassium voltage-gated channel subfamily H member 2 (Eag homolog) (Ether-a-go-go-related gene potassium channel 1) (ERG-1) (Eag-related protein 1) (Ether-a-go-go-related protein 1) (H-ERG) (hERG-1) (hERG1) (Voltage-gated potassium channel subunit Kv11.1)"	"Potassium channel family, H (Eag) (TC 1.A.1.20) subfamily, Kv11.1/KCNH2 sub-subfamily"	KCNH2	3757;	"Homo sapiens (Human)"	0.926899	28
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P98170	"E3 ubiquitin-protein ligase XIAP (EC 2.3.2.27) (Baculoviral IAP repeat-containing protein 4) (IAP-like protein) (ILP) (hILP) (Inhibitor of apoptosis protein 3) (IAP-3) (hIAP-3) (hIAP3) (RING-type E3 ubiquitin transferase XIAP) (X-linked inhibitor of apoptosis protein) (X-linked IAP)"	"IAP family"	XIAP	331;	"Homo sapiens (Human)"	0.858155	29
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	Q9Y5N1	"Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)"	"G-protein coupled receptor 1 family"	HRH3	11255;	"Homo sapiens (Human)"	0.85066	30
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	Q13489	"Baculoviral IAP repeat-containing protein 3 (EC 2.3.2.27) (Apoptosis inhibitor 2) (API2) (Cellular inhibitor of apoptosis 2) (C-IAP2) (IAP homolog C) (Inhibitor of apoptosis protein 1) (hIAP-1) (hIAP1) (RING finger protein 49) (RING-type E3 ubiquitin transferase BIRC3) (TNFR2-TRAF-signaling complex protein 1)"	"IAP family"	BIRC3	330;	"Homo sapiens (Human)"	0.846411	31
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P25021	"Histamine H2 receptor (H2R) (HH2R) (Gastric receptor I)"	"G-protein coupled receptor 1 family"	HRH2	3274;	"Homo sapiens (Human)"	0.820484	32
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P08173	"Muscarinic acetylcholine receptor M4"	"G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM4 sub-subfamily"	CHRM4	1132;	"Homo sapiens (Human)"	0.795891	33
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	Q06520	"Bile salt sulfotransferase (EC 2.8.2.14) (Dehydroepiandrosterone sulfotransferase) (DHEA-ST) (Hydroxysteroid Sulfotransferase) (HST) (ST2) (ST2A3) (Sulfotransferase 2A1) (ST2A1)"	"Sulfotransferase 1 family"	SULT2A1	6822;	"Homo sapiens (Human)"	0.790634	34
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P13945	"Beta-3 adrenergic receptor (Beta-3 adrenoreceptor) (Beta-3 adrenoceptor)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB3 sub-subfamily"	ADRB3	155;	"Homo sapiens (Human)"	0.780927	35
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P11086	"Phenylethanolamine N-methyltransferase (PNMTase) (EC 2.1.1.28) (Noradrenaline N-methyltransferase)"	"Class I-like SAM-binding methyltransferase superfamily, NNMT/PNMT/TEMT family"	PNMT	5409;	"Homo sapiens (Human)"	0.732993	36
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P10635	"Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) (Debrisoquine 4-hydroxylase)"	"Cytochrome P450 family"	CYP2D6	1565;	"Homo sapiens (Human)"	0.710275	37
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P41143	"Delta-type opioid receptor (D-OR-1) (DOR-1)"	"G-protein coupled receptor 1 family"	OPRD1	4985;	"Homo sapiens (Human)"	0.699092	38
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P21397	"Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) (MAO-A)"	"Flavin monoamine oxidase family"	MAOA	4128;	"Homo sapiens (Human)"	0.680349	39
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P08913	"Alpha-2A adrenergic receptor (Alpha-2 adrenergic receptor subtype C10) (Alpha-2A adrenoreceptor) (Alpha-2A adrenoceptor) (Alpha-2AAR)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2A sub-subfamily"	ADRA2A	150;	"Homo sapiens (Human)"	0.66596	Known
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P28222	"5-hydroxytryptamine receptor 1B (5-HT-1B) (5-HT1B) (S12) (Serotonin 1D beta receptor) (5-HT-1D-beta) (Serotonin receptor 1B)"	"G-protein coupled receptor 1 family"	HTR1B	3351;	"Homo sapiens (Human)"	0.645726	40
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P28566	"5-hydroxytryptamine receptor 1E (5-HT-1E) (5-HT1E) (S31) (Serotonin receptor 1E)"	"G-protein coupled receptor 1 family"	HTR1E	3354;	"Homo sapiens (Human)"	0.630454	41
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P21918	"D(1B) dopamine receptor (D(5) dopamine receptor) (D1beta dopamine receptor) (Dopamine D5 receptor)"	"G-protein coupled receptor 1 family"	DRD5	1816;	"Homo sapiens (Human)"	0.627204	42
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P07305	"Histone H1.0 (Histone H1') (Histone H1(0)) [Cleaved into: Histone H1.0, N-terminally processed]"	"Histone H1/H5 family"	H1F0	3005;	"Homo sapiens (Human)"	0.625768	43
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P46098	"5-hydroxytryptamine receptor 3A (5-HT3-A) (5-HT3A) (5-hydroxytryptamine receptor 3) (5-HT-3) (5-HT3R) (Serotonin receptor 3A) (Serotonin-gated ion channel receptor)"	"Ligand-gated ion channel (TC 1.A.9) family, 5-hydroxytryptamine receptor (TC 1.A.9.2) subfamily, HTR3A sub-subfamily"	HTR3A	3359;	"Homo sapiens (Human)"	0.594339	44
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P08588	"Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor)"	"G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamily"	ADRB1	153;	"Homo sapiens (Human)"	0.587142	45
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)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)"	0.564023	46
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	P50225	"Sulfotransferase 1A1 (ST1A1) (EC 2.8.2.1) (Aryl sulfotransferase 1) (HAST1/HAST2) (Phenol sulfotransferase 1) (Phenol-sulfating phenol sulfotransferase 1) (P-PST 1) (ST1A3) (Thermostable phenol sulfotransferase) (Ts-PST)"	"Sulfotransferase 1 family"	SULT1A1	6817;	"Homo sapiens (Human)"	0.55962	47
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	Q96P09	"Baculoviral IAP repeat-containing protein 8 (Inhibitor of apoptosis-like protein 2) (IAP-like protein 2) (ILP-2) (Testis-specific inhibitor of apoptosis)"	"IAP family"	BIRC8	112401;	"Homo sapiens (Human)"	0.54144	48
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	Q15125	"3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (EC 5.3.3.5) (Cholestenol Delta-isomerase) (Delta(8)-Delta(7) sterol isomerase) (D8-D7 sterol isomerase) (Emopamil-binding protein)"	"EBP family"	EBP	10682;	"Homo sapiens (Human)"	0.484833	49
1	Untitled	CC(CC1=CC=CC=C1)NC.Cl	CNC(Cc1ccccc1)C	Q13936	"Voltage-dependent L-type calcium channel subunit alpha-1C (Calcium channel, L type, alpha-1 polypeptide, isoform 1, cardiac muscle) (Voltage-gated calcium channel subunit alpha Cav1.2)"	"Calcium channel alpha-1 subunit (TC 1.A.1.11) family, CACNA1C subfamily"	CACNA1C	775;	"Homo sapiens (Human)"	0.466166	50