BrCa Raw Results (selection of active compounds)

Table containing selected collection of putative BrCa activity

molregno Avg(chemblActivityScoreC) Count(chemblActivityScoreC) Avg(CytotoxCombinedPrediction) Avg(predictionBrCaRFModelregression) UniqueConcatenate(proteinNameC) UniqueCount(proteinNameC) Count(proteinNameC) therapeuticIndex canonical_smiles.x
924 3.632408764 458 4.513259152 6.175169643 ATP binding cassette transporter Abc1p, Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Cytochrome P450 3A5, DNA polymerase kappa, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, FK506-binding protein 1A, FK506-binding protein 1B, Ferritin light chain, Geminin, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Nuclear receptor ROR-gamma, Nuclear receptor subfamily 1 group I member 2, Peptidyl-prolyl cis-trans isomerase FKBP5, Peripheral myelin protein 22, Phosphodiesterase 5A, Platelet activating factor receptor, Pregnane X receptor, Progesterone receptor, Protein kinase C alpha, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serine/threonine-protein kinase mTOR, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Solute carrier organic anion transporter family member 1B1, Splicing factor 3B subunit 3, Thromboxane-A synthase, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, UDP-glucuronosyltransferase 2B7, Ubiquitin carboxyl-terminal hydrolase 1, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor 122 458 1.66191049 CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)\[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)C\C(=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)\C)OC)[C@H](C[C@H]4C)OC
4775 5.413232342 1429 5.031382053 7.967625 ATPase family AAA domain-containing protein 5, Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldehyde dehydrogenase 1A1, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Alpha-galactosidase A, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Anthrax lethal factor, Arachidonate 15-lipoxygenase, Ataxin-2, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Chromobox protein homolog 1, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, DNA polymerase iota, DNA topoisomerase II, DNA-(apurinic or apyrimidinic site) lyase, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Geminin, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Human papillomavirus regulatory protein E2, Hypoxia-inducible factor 1 alpha, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Isocitrate dehydrogenase [NADP] cytoplasmic, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Niemann-Pick C1 protein, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Nuclear factor erythroid 2-related factor 2, Nuclear receptor subfamily 0 group B member 1, Paired box protein Pax-8, Peripheral myelin protein 22, Peroxisome proliferator-activated receptor delta, Phosphodiesterase 5A, Platelet activating factor receptor, Prelamin-A/C, Progesterone receptor, Protein kinase C alpha, Proto-oncogene c-JUN, Ras-related protein Rab-9A, Receptor protein-tyrosine kinase erbB-2, Regulatory protein E2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Solute carrier organic anion transporter family member 1B1, Solute carrier organic anion transporter family member 1B3, Survival motor neuron protein, Thromboxane-A synthase, Tubulin, Tubulin alpha chain, Tubulin beta chain, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Ubiquitin carboxyl-terminal hydrolase 1, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor 136 1429 2.936242947 COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24
5105 6.037659407 2634 3.625585747 7.066209974 15-hydroxyprostaglandin dehydrogenase [NAD+], ATPase family AAA domain-containing protein 5, Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldehyde dehydrogenase 1A1, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Alpha-galactosidase A, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Anthrax lethal factor, Arachidonate 15-lipoxygenase, Ataxin-2, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Beta-glucocerebrosidase, Bloom syndrome protein, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cellular tumor antigen p53, Cholecystokinin A receptor, Cholinesterase, Chromobox protein homolog 1, Cruzipain, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, DNA ligase, DNA polymerase iota, DNA topoisomerase, DNA topoisomerase 1, DNA topoisomerase I, DNA topoisomerase II alpha, DNA topoisomerase II beta, DNA topoisomerase type IB small subunit, Delta opioid receptor, Deoxyribonuclease-1, Deoxyribonuclease-2-alpha, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endoplasmic reticulum-associated amyloid beta-peptide-binding protein, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Eukaryotic translation initiation factor 2-alpha kinase 3, Ferritin light chain, Geminin, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Hemoglobin beta chain, Heterogeneous nuclear ribonucleoprotein A1, Histamine H1 receptor, Histamine H2 receptor, Histone acetyltransferase GCN5, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Human immunodeficiency virus type 1 integrase, Huntingtin, Hypoxia-inducible factor 1 alpha, Induced myeloid leukemia cell differentiation protein Mcl-1, Inositol monophosphatase 1, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, Lysine-specific demethylase 4D-like, Lysosomal alpha-glucosidase, M-phase phosphoprotein 8, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Muscleblind-like protein 1, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Nuclear factor NF-kappa-B p105 subunit, Nuclear factor erythroid 2-related factor 2, Nuclear receptor ROR-gamma, Os06g0676700 protein, Peripheral myelin protein 22, Phosphodiesterase 5A, Platelet activating factor receptor, Prelamin-A/C, Progesterone receptor, Protein kinase C alpha, Ras-related protein Rab-9A, Receptor protein-tyrosine kinase erbB-2, Regulator of G-protein signaling 4, Relaxin receptor 1, Ribonuclease pancreatic, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase mTOR, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Serotransferrin, Sigma opioid receptor, Solute carrier organic anion transporter family member 1B1, Somatostatin receptor, Survival motor neuron protein, Telomerase reverse transcriptase, Thioredoxin reductase 1- cytoplasmic, Thrombopoietin, Thromboxane-A synthase, Thyroid stimulating hormone receptor, Topoisomerase I, Type-2 restriction enzyme BamHI, Type-2 restriction enzyme EcoRI, Type-2 restriction enzyme HindIII, Type-2 restriction enzyme PstI, Type-2 restriction enzyme ScaI, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor 170 2634 3.440624227 CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O
5295 6.409762794 3334 4.779507906 6.09305442 Beta tubulin, DNA topoisomerase 1, Epidermal growth factor receptor erbB1, Fibroblast growth factor receptor 1, Mitogen-activated protein kinase; ERK1/ERK2, NotRecorded, P-glycoprotein 1, Phosphodiesterase 4, Tubulin, Tubulin alpha chain, Tubulin beta chain, Tubulin beta-1 chain, Tubulin beta-3 chain, Tyrosine-protein kinase ABL, Tyrosine-protein kinase SRC 15 3334 1.313546514 COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
6963 4.905288052 9 3.605883071 6.7230625 Tubulin 1 9 3.117179429 CCOc1cc2OCOc2cc1CCc3ccc(OC)cc3
7028 4.8992874 9 3.078916902 6.266415972 Tubulin 1 9 3.18749907 COc1ccc(Cc2cc3OCOc3cc2OC)cc1
7069 5.198180694 9 5.765653071 6.159242262 Tubulin 1 9 0.393589191 CCOc1cc2OCOc2cc1C\C=C\c3ccc(OC)cc3
7071 5.781703102 61 7.510156349 6.219355002 NotRecorded, Tubulin, Tubulin beta chain 3 61 -1.290801347 COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O
7103 4.937316548 9 3.592329512 6.2146 Tubulin 1 9 2.622270488 COc1ccc(CCCc2cc3OCOc3cc2OC)cc1
7104 4.628527442 9 5.186939925 6.422314583 Tubulin 1 9 1.235374658 COc1ccc(CCc2cc3OCOc3cc2OC)cc1
7176 5.370765404 9 4.54038075 6.375105754 Tubulin 1 9 1.834725004 CCOc1cc2OCOc2cc1Cc3ccc(OC)cc3
7183 4.956381951 9 5.5269993 6.015975 Tubulin 1 9 0.4889757 CCOc1cc2OCOc2cc1CCCc3ccc(OC)cc3
7203 4.915634026 9 3.605883071 6.58925 Tubulin 1 9 2.983366929 COc1ccc(\C=C\Cc2cc3OCOc3cc2OC)cc1
8062 6.130809518 4163 5.198343245 7.212 4′-phosphopantetheinyl transferase ffp, ATP-dependent DNA helicase Q1, ATPase family AAA domain-containing protein 5, Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Alpha-synuclein, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Anthrax lethal factor, Apoptosis regulator Bcl-2, Apoptosis regulator Bcl-X, Arachidonate 15-lipoxygenase, Ataxin-2, Beta tubulin, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Beta-lactamase AmpC, Bile salt export pump, Bloom syndrome protein, Botulinum neurotoxin type A, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cellular tumor antigen p53, Cholecystokinin A receptor, Chromobox protein homolog 1, Cruzipain, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endoplasmic reticulum-associated amyloid beta-peptide-binding protein, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Fibroblast growth factor receptor 1, Geminin, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Hepatitis C virus NS3 protease/helicase, Histamine H1 receptor, Histamine H2 receptor, Hypoxia-inducible factor 1 alpha, Insulin receptor, Integrin alpha-V/beta-3, Interleukin-8 receptor A, Interleukin-8 receptor B, Isocitrate dehydrogenase [NADP] cytoplasmic, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, Luciferin 4-monooxygenase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Menin/Histone-lysine N-methyltransferase MLL, Microtubule-associated protein tau, Monoamine oxidase A, Mothers against decapentaplegic homolog 3, Mu opioid receptor, Multidrug resistance-associated protein 1, Multidrug resistance-associated protein 7, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide S receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Niemann-Pick C1 protein, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Nonstructural protein 1, Norepinephrine transporter, NotRecorded, Nuclear factor erythroid 2-related factor 2, Nuclear receptor ROR-gamma, Nuclear receptor subfamily 1 group I member 2, P-glycoprotein 1, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Peripheral myelin protein 22, Peroxisome proliferator-activated receptor delta, Peroxisome proliferator-activated receptor gamma, Phosphodiesterase 5A, Platelet activating factor receptor, Prelamin-A/C, Progesterone receptor, Protein kinase C alpha, Ras-related protein Rab-9A, Receptor protein-tyrosine kinase erbB-2, Regulator of G-protein signaling 4, Retinoid X receptor alpha, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serine/threonine-protein kinase mTOR, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Solute carrier family 22 member 1, Solute carrier organic anion transporter family member 1B1, Solute carrier organic anion transporter family member 1B3, Solute carrier organic anion transporter family member 2B1, Survival motor neuron protein, Thioredoxin reductase 1- cytoplasmic, Thrombopoietin, Thromboxane-A synthase, Thyroid hormone receptor beta-1, Tubulin, Tubulin alpha chain, Tubulin beta chain, Tubulin beta-3 chain, Tyrosine-protein kinase ABL, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Tyrosine-protein kinase SRC, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor, Vitamin D receptor 167 4163 2.013656755 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
12272 8 5 4.874973937 6.99478125 NotRecorded 1 5 2.119807313 COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)[C@@](C)(O)C#Cc3ccccc3)cc1
12284 8 5 3.582174073 7.125875 NotRecorded 1 5 3.543700927 COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)C(OS(=O)(=O)C)C#Cc3ccccc3)cc1
12449 8 5 4.874973937 6.99478125 NotRecorded 1 5 2.119807313 COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)[C@](C)(O)C#Cc3ccccc3)cc1
12496 8 5 6.444994821 7.959294643 NotRecorded 1 5 1.514299822 COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)C(O)\C=C\c3ccccc3)cc1
12497 8 5 6.546762465 7.378473214 NotRecorded 1 5 0.831710749 COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)[C@@](C)(O)\C=C/c3ccccc3)cc1
12498 8 5 6.546762465 7.378473214 NotRecorded 1 5 0.831710749 COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)[C@](C)(O)\C=C/c3ccccc3)cc1
12513 8 5 6.192407923 6.898138393 NotRecorded 1 5 0.705730469 COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)C(O)\C=C\c3ccccc3)cc1
12554 8 5 6.25887986 6.410875 NotRecorded 1 5 0.15199514 COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)C(=O)\C=C/c3ccccc3)cc1
12555 8 5 6.25887986 6.410875 NotRecorded 1 5 0.15199514 COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)C(=O)\C=C\c3ccccc3)cc1
12563 8 5 6.880300577 8.833486607 NotRecorded 1 5 1.95318603 COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)C(=O)CCc3ccccc3)cc1
12582 8 5 6.587554921 7.373040179 NotRecorded 1 5 0.785485258 COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)C(O)CCc3ccccc3)cc1
12609 8 5 5.422213193 6.99478125 NotRecorded 1 5 1.572568057 COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)C(O)C#Cc3ccccc3)cc1
14440 5.403489419 3239 5.741598851 6.488481098 6-phospho-1-fructokinase, ATPase family AAA domain-containing protein 5, Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Anthrax lethal factor, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Beta-glucocerebrosidase, Beta-lactamase AmpC, Bile acid receptor FXR, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, CREB-binding protein, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cellular tumor antigen p53, Cholecystokinin A receptor, Cholinesterase, Chromobox protein homolog 1, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, DNA topoisomerase II, DNA-(apurinic or apyrimidinic site) lyase, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endonuclease 4, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Ferritin light chain, Flap endonuclease 1, Geminin, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 3, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Insulin receptor, Interleukin-8, Interleukin-8 receptor A, Interleukin-8 receptor B, Isocitrate dehydrogenase [NADP] cytoplasmic, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Monoamine oxidase B, Mothers against decapentaplegic homolog 3, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Muscleblind-like protein 1, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide S receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Nuclear factor erythroid 2-related factor 2, Nuclear receptor ROR-gamma, Nuclear receptor subfamily 0 group B member 1, Nuclear receptor subfamily 1 group I member 2, P-glycoprotein 1, P-glycoprotein 3, Paired box protein Pax-8, Peripheral myelin protein 22, Peroxisome proliferator-activated receptor delta, Peroxisome proliferator-activated receptor gamma, Phosphodiesterase 5A, Platelet activating factor receptor, Prelamin-A/C, Progesterone receptor, Protein kinase C alpha, Proto-oncogene c-JUN, Ras-related protein Rab-9A, Receptor protein-tyrosine kinase erbB-2, Retinoid X receptor alpha, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Solute carrier family 22 member 1, Solute carrier family 22 member 3, Solute carrier organic anion transporter family member 1B1, Solute carrier organic anion transporter family member 2B1, Thioredoxin reductase 1- cytoplasmic, Thrombopoietin, Thromboxane-A synthase, Thyroid hormone receptor beta-1, Thyroid stimulating hormone receptor, Tubulin, Tubulin alpha chain, Tubulin alpha-1 chain, Tubulin beta chain, Tubulin polymerization-promoting protein, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Ubiquitin carboxyl-terminal hydrolase 1, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor, Vitamin D receptor 161 3239 0.746882248 COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C
17225 5.813969158 9 6.067393352 5.271785913 NotRecorded, Tubulin 2 9 -0.795607439 Fc1ccc(cc1)C2CC(=O)c3cc4OCOc4cc3N2
19632 4.971903157 4 5.735491959 8.252517857 NotRecorded 1 4 2.517025898 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@@H](O)Cc6ccccc6)C(=C1C5(C)C)C
19666 4.395259042 4 5.469561323 8.009279762 NotRecorded 1 4 2.539718439 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)CNC(=O)c6ccccc6)C(=C1C5(C)C)C
19667 4.949972538 4 5.661982667 8.252517857 NotRecorded 1 4 2.59053519 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)Cc6ccccc6)C(=C1C5(C)C)C
22404 6.355051991 246 5.857915097 6.828009183 NotRecorded, Tubulin, Tubulin alpha chain, Tubulin beta chain 4 246 0.970094085 COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC
22627 5.911754156 49 7.307310434 6.131731232 NotRecorded, Tubulin, Tubulin alpha chain, Tubulin beta chain, Tubulin beta-1 chain 5 49 -1.175579203 COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1O)SC
22662 5.670080102 37 5.380753013 6.78531069 NotRecorded, Tubulin, Tubulin alpha chain, Tubulin beta chain 4 37 1.404557677 COc1c(O)cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c1OC)SC
23002 5.787285501 32 4.484178646 6.837118025 NotRecorded, Tubulin 2 32 2.352939379 COc1cc2CC[C@H](NC=O)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC
30698 5.80620791 15 5.329978338 7.967625 NotRecorded 1 15 2.637646662 COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](O)c4cc5OCOc5cc24
30847 5.432999799 22 5.508764704 7.967625 Acetylcholinesterase, Anthrax lethal factor, Chromobox protein homolog 1, DNA polymerase iota, NotRecorded, Nuclear factor erythroid 2-related factor 2 6 22 2.458860296 COc1cc(cc(OC)c1OC)[C@H]2[C@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24
36452 5.584726303 6 5.898091151 6.970725694 Geminin, NotRecorded, Peripheral myelin protein 22 3 6 1.072634543 CCC1OC(=O)C[C@@H](O)[C@H](C)[C@@H](OC2OC(C)CC(C2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\[C@]3(C)OC3C1C
39291 8.732 5 6.752664505 8.112352679 NotRecorded 1 5 1.359688173 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C([C@@H](O)C3=O)C5(C)C)C
39305 8.93 5 9.051527896 6.389540179 NotRecorded 1 5 -2.661987718 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C1C5(C)C)C
39544 5.760291355 19 4.642503067 6.835338816 NotRecorded, Tubulin, Tubulin beta chain 3 19 2.192835749 CCOC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13
39723 6.69019608 15 5.250449665 6.706241071 Tubulin 1 15 1.455791406 CCCC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13
39792 5.268845312 15 3.469013639 7.033620536 Tubulin 1 15 3.564606897 COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C(C)(C)C
40029 8.964 5 8.026046153 6.1669375 NotRecorded 1 5 -1.859108653 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C([C@@H](OC(=O)N6CCOCC6)C3=O)C5(C)C)C
40030 9.14 5 9.094263889 5.909 NotRecorded 1 5 -3.185263889 COC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C1C5(C)C)C
40518 9.04 5 8.510750945 5.996357143 NotRecorded 1 5 -2.514393802 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C([C@@H](OC(=O)C6CC6)C3=O)C5(C)C)C
40519 9.122 5 8.446325326 6.389540179 NotRecorded 1 5 -2.056785147 CN(C)C(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C1C5(C)C)C
41248 5.365276408 19 6.73754426 6.875085526 DNA topoisomerase II, DNA topoisomerase II alpha, Human immunodeficiency virus type 1 integrase, NotRecorded 4 19 0.137541266 COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24
41829 4.766433243 6 3.443353044 6.341620536 NotRecorded 1 6 2.898267492 COC(=O)[C@H]1[C@@H]2COC(=O)O[C@H]2c3cc4OCOc4cc3C1c5cc(OC)c(OC)c(OC)c5
41870 7.616039627 20 5.117005187 6.45328125 NotRecorded 1 20 1.336276063 COC(=O)[C@H]1[C@H](CO)[C@@H](O)c2cc3OCOc3cc2[C@H]1c4cc(OC)c(OC)c(OC)c4
42486 5.854557475 18 5.668742374 6.228403026 NotRecorded 1 18 0.559660652 CCOC(=O)[C@H]1[C@H](CO)[C@@H](O)c2cc3OCOc3cc2[C@H]1c4cc(OC)c(O)c(OC)c4
43837 6.29 5 6.069897708 6.8463 NotRecorded 1 5 0.776402292 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)[C@@H](OC(=O)[C@@H](O)C(NC(=O)c6ccccc6)c7ccccc7)[C@H](O)C(=C([C@@H](O)C3=O)C5(C)C)C
43838 8.128 5 7.42906571 5.981888393 NotRecorded 1 5 -1.447177317 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)C2[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccc7)C(=C([C@@H](O)C3=O)C6(C)C)C
43881 7.208 5 7.5214695 7.48271875 NotRecorded 1 5 -0.03875075 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)C2[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C([C@@H](O)C3=O)C6(C)C)C
44861 7.794837057 5 7.918849909 6.229763393 NotRecorded 1 5 -1.689086516 CC(=O)O[C@H]1[C@H](O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCc6ccccc6)c7ccccc7)C(=C1C5(C)C)C
45017 8.196393505 4 7.713328859 6.389540179 NotRecorded 1 4 -1.32378868 CC(C)OC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]4[C@@](C)([C@@H](O)C[C@H]5OC[C@@]45OC(=O)C)[C@@H](O)[C@H](OC(=O)C)C(=C1C)C2(C)C)c6ccccc6
45019 8.848203631 4 7.83216277 5.909 NotRecorded 1 4 -1.92316277 CC(=O)O[C@H]1[C@H](O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C
45051 7.432617485 4 7.671036597 6.1669375 NotRecorded 1 4 -1.504099097 CCOC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]4[C@@](C)([C@@H](O)C[C@H]5OC[C@@]45OC(=O)C)[C@@H](O)[C@H](OC(=O)C)C(=C1C)C2(C)C)c6ccccc6
45278 6.288745729 5 6.550030576 8.112352679 NotRecorded 1 5 1.562322103 CC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]4[C@@](C)([C@@H](O)C[C@H]5OC[C@@]45OC(=O)C)[C@@H](O)[C@H](OC(=O)C)C(=C1C)C2(C)C)c6ccccc6
45279 8.040851623 5 7.46861976 7.172633929 NotRecorded 1 5 -0.295985831 CC(=O)O[C@H]1[C@H](O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)CC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C
45744 7.498319811 4 6.080230313 7.55221875 NotRecorded 1 4 1.471988437 CC(=O)O[C@H]1[C@H](O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6occc6)c7ccccc7)C(=C1C5(C)C)C
45746 7.8048251 5 7.216380665 6.499053571 NotRecorded 1 5 -0.717327093 CC(=O)O[C@H]1[C@H](O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccc(C)cc6)c7ccccc7)C(=C1C5(C)C)C
45813 6.892379234 4 7.376504353 7.563571429 NotRecorded 1 4 0.187067075 CC(=O)O[C@H]1[C@H](O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C(C)(C)C)c6ccccc6)C(=C1C5(C)C)C
46135 6.561995239 4 4.181930754 6.21659375 NotRecorded 1 4 2.034662996 CC(=O)O[C@H]1[C@H](O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccc(O)cc6)c7ccccc7)C(=C1C5(C)C)C
56525 6.5 4 7.309467057 5.996357143 NotRecorded 1 4 -1.313109914 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](NC(=O)OCc4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C
56527 6.5 4 4.755625 5.996357143 NotRecorded 1 4 1.240732143 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](NC(=O)c4ccc(Cl)cc4)[C@]5(O)C[C@H](OC(=O)[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C
56838 6.5 4 7.381133724 6.193294643 NotRecorded 1 4 -1.187839081 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](NC(=O)c4ccc(cc4)[N+](=O)[O-])[C@]5(O)C[C@H](OC(=O)[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C
61142 6.683858859 11 6.203215278 5.811159091 Acetylcholinesterase, DNA topoisomerase I, NotRecorded 3 11 -0.392056187 CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc6OCCNc6c15)[C@@](O)(CC)C(=O)OC4
61315 6.581976643 199 7.445313119 8.085601759 ATP-binding cassette sub-family G member 2, Acetylcholinesterase, Cytochrome P450 3A4, DNA topoisomerase I, Histone deacetylase, NotRecorded, Solute carrier organic anion transporter family member 1B1, UDP-glucuronosyltransferase 1-1, UDP-glucuronosyltransferase 1-6, UDP-glucuronosyltransferase 1-7, UDP-glucuronosyltransferase 1-9, UDP-glucuronosyltransferase 1A4, UDP-glucuronosyltransferase 2B15 13 199 0.640288639 CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(O)cc15)[C@@](O)(CC)C(=O)OC4
65667 9.401666667 6 5.449165033 8.091717262 NotRecorded 1 6 2.642552229 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C6CC6)C(=C([C@@H](O)C3=O)C5(C)C)C
71516 6.162274173 1787 4.874904812 6.148457942 Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta tubulin, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bile salt export pump, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Canalicular multispecific organic anion transporter 1, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, DNA polymerase iota, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Geminin, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Menin/Histone-lysine N-methyltransferase MLL, Monoamine oxidase A, Monoamine oxidase B, Mothers against decapentaplegic homolog 3, Mu opioid receptor, Multidrug resistance-associated protein 1, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Nuclear receptor ROR-gamma, P-glycoprotein 1, P-glycoprotein 3, Peripheral myelin protein 22, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Putative uncharacterized protein, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Solute carrier family 22 member 1, Solute carrier organic anion transporter family member 1B1, Solute carrier organic anion transporter family member 1B3, Thioredoxin reductase 1- cytoplasmic, Thromboxane-A synthase, Tubulin, Tubulin alpha chain, Tubulin beta chain, Tubulin beta-5 chain, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Ubiquitin carboxyl-terminal hydrolase 1, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor, Vitamin D receptor 130 1787 1.27355313 CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1
73043 5.199874197 20 3.77356056 5.771004189 NotRecorded, Tubulin, Tubulin alpha chain 3 20 1.997443629 O=C1NC(=Nc2ccccc12)\C=C\c3ccccc3
73598 6.876 5 4.601666667 4.880275 NotRecorded, Tubulin alpha chain 2 5 0.278608333 COc1ccc2c(C=CCc3cc(OC)c(OC)c(OC)c23)c1
74134 5.499323391 13 4.791671462 5.21295091 NotRecorded, Tubulin, Tubulin alpha chain 3 13 0.421279448 Cc1ccc2c(O)cc(nc2n1)c3ccc(Br)s3
75128 5.986602517 18 2.683582263 7.065539583 NotRecorded, Tubulin, Tubulin alpha chain 3 18 4.38195732 COc1cc2CC[C@H](OC(=O)c3cccnc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC
81416 6.168796195 4 6.820162799 6.6781875 NotRecorded, Tubulin 2 4 -0.141975299 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccc(Cl)cc6)c7ccccc7)C(=C1C5(C)C)C
86102 5.604328575 216 4.732918819 7.551486541 Acetylcholinesterase, Cholinesterase, Heat shock factor protein 1, Heat shock protein HSP 90, Heat shock protein HSP 90-beta, Heat shock protein HSP90, Hsp90 co-chaperone Cdc37, NotRecorded, Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase 1C, Protein-tyrosine phosphatase 2C, Protein-tyrosine phosphatase LC-PTP, Solute carrier organic anion transporter family member 1B3, Telomerase reverse transcriptase 14 216 2.818567722 CC1=C(O)C(=O)C=C2C1=CC=C3[C@@]2(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@]34C)C(=O)O
92030 4.397940009 15 2 6.809625 Tubulin 1 15 4.809625 CSC1=CC=C2C(=CC1=O)[C@H](CCc3cc(O)c(O)c(O)c23)NC(=O)C45CCC(C)(C(=O)O4)C5(C)C
95046 5.702717651 19 5.711830279 5.697494361 NotRecorded, Tubulin 2 19 -0.014335918 COc1ccc(cc1O)[C@@H]2OCO[C@H]2c3cc(OC)c(OC)c(OC)c3
100937 5.686570558 7 5.1512431 6.193242985 NotRecorded 1 7 1.041999885 COCC(NC1CC(O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)OC(C)C1O)C#N
103903 6.656818846 214 5.378910525 8.319139603 Cytochrome P450 3A4, NotRecorded, Ornithine decarboxylase, Tubulin 4 214 2.940229078 COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)Cc4cc5OCOc5cc24
105565 5.571428571 7 5.061135102 6.57616301 NotRecorded 1 7 1.515027909 COc1cc(cc(OC)c1OC)[C@H]2[C@H]3C(CCO)OC[C@@H]3[C@@H](O)c4cc5OCOc5cc24
112161 5.882755718 5 5.302556572 5.9754375 NotRecorded, P-glycoprotein 1 2 5 0.672880928 CCCCCC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
112463 6.012749039 33 4.447841033 7.273450893 Ataxin-2, DNA polymerase iota, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear receptor ROR-gamma, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 9 33 2.82560986 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
112618 6.32892782 6 6.273805411 7.37453125 NotRecorded, Tubulin 2 6 1.100725839 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccc(Cl)cc7)C(=C1C5(C)C)C
112738 6.407070447 6 5.88692841 6.88235119 NotRecorded 1 6 0.99542278 C\C=C(/C)\C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
114210 5.22 4 6.439839908 7.381638393 NotRecorded 1 4 0.941798485 CCCC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCOc4ccc5nc6C7=CC8=C(COC(=O)C8(O)CC)C(=O)N7Cc6cc5c4)n(COC)c3)n(COC)c2)n1COC
114391 6.9825 8 6.529334651 7.125373621 DNA topoisomerase I, NotRecorded 2 8 0.596038969 CCC1(O)CC(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O
115089 5.524 5 6.42939081 7.381638393 DNA topoisomerase I, NotRecorded 2 5 0.952247583 CCOC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NOC(=O)COc4ccc5nc6C7=CC8=C(COC(=O)C8(O)CC)C(=O)N7Cc6cc5c4)cn3COC)cn2COC)cn1COC
115090 5.628 5 5.439484526 7.680071429 DNA topoisomerase I, NotRecorded 2 5 2.240586902 CCOC(=O)c1cc(NC(=O)c2cc(NOC(=O)COc3ccc4nc5C6=CC7=C(COC(=O)C7(O)CC)C(=O)N6Cc5cc4c3)cn2COC)cn1COC
120938 5.466448499 13 5.409997507 5.044419254 NotRecorded, Tubulin, Tubulin beta chain 3 13 -0.365578254 CCOc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3C=Cc2cc1O
128562 5.489959062 6 5.165326739 5.795317857 NotRecorded, Tubulin 2 6 0.629991119 CCOc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CCCc2cc1O
129626 5.258516385 69 4.058604154 6.6748125 Androgen Receptor, NotRecorded 2 69 2.616208346 CCC(C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC(=O)C)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C
130514 5.63 5 5.767717207 6.832989583 NotRecorded 1 5 1.065272376 COC(=O)[C@@H]1[C@@H](Cc2cc3OCOc3cc2[C@H]1c4cc(OC)c(OC)c(OC)c4)C=O
130582 6.505 4 6.207947183 6.675915179 NotRecorded 1 4 0.467967996 COC(=O)[C@@H]1[C@H](CO)[C@@H](O)c2cc3OCOc3cc2[C@H]1c4cc(OC)c(OC)c(OC)c4
131137 7.1425 4 4.742629436 6.341641741 NotRecorded 1 4 1.599012306 COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4c3cc(NC(=O)OCc5ccc(cc5OCC(O)CO)[N+](=O)[O-])c6ccccc46
131216 4.625705592 7 4.238053161 5.908339286 NotRecorded 1 7 1.670286125 COc1cc(cc(OC)c1OC)[C@H]2[C@H]3[C@H](COC3=O)C(=O)c4cc5OCOc5cc24
135825 7.134444444 9 4.627804574 6.290123264 NotRecorded 1 9 1.66231869 COc1ccc2N3C(=O)N(CCN(C)C)C(=O)c4ccc(NCCN(C)C)c(C(=O)c2c1)c34
137854 5.810394982 21 5.7185772 6.2442804 NotRecorded, Tubulin 2 21 0.5257032 COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C(F)(F)F
139409 6.282675308 11 7.342758144 6.025438068 NotRecorded, Tubulin 2 11 -1.317320076 COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(Cl)c1
139775 5.737795978 11 6.743436326 5.350117857 NotRecorded, Tubulin 2 11 -1.393318469 COc1cc(CCc2ccc(cc2)N(C)C)cc(OC)c1OC
140832 6.575678671 8 7.91777468 5.846947656 NotRecorded, Tubulin 2 8 -2.070827024 COc1cc(\C=C\c2ccc(cc2)N(C)C)cc(OC)c1OC
142037 5.688629171 15 2 6.252339286 Tubulin 1 15 4.252339286 COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)N(C)C(=O)C(F)(F)F
142253 5.549671922 15 3.292225159 5.81371875 Tubulin 1 15 2.521493591 COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC(=O)C)SC
142808 4.92850506 1043 4.812625672 6.0115 Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta tubulin, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Canalicular multispecific organic anion transporter 1, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Geminin, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Huntingtin, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Monoamine oxidase B, Mothers against decapentaplegic homolog 3, Mu opioid receptor, Multidrug resistance associated protein, Multidrug resistance-associated protein 1, Multidrug resistance-associated protein 7, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Ornithine decarboxylase, P-glycoprotein 1, Peripheral myelin protein 22, Phosphodiesterase 5A, Platelet activating factor receptor, Prelamin-A/C, Progesterone receptor, Protein kinase C alpha, Proto-oncogene c-JUN, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Solute carrier organic anion transporter family member 1B1, Solute carrier organic anion transporter family member 1B3, Solute carrier organic anion transporter family member 2B1, Thioredoxin reductase 1- cytoplasmic, Thromboxane-A synthase, Tubulin, Tubulin alpha chain, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor 126 1043 1.198874328 CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1
143047 8.688 5 7.429259315 7.273450893 NotRecorded 1 5 -0.155808422 CC(=C[C@H](NC(=O)c1ccccc1)[C@@H](O)C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)C5[C@@]6(CO[C@@H]6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(=O)C)C(=C2C)C3(C)C)OC(=O)C)C
143048 8.352 5 8.218814215 5.996357143 NotRecorded 1 5 -2.222457072 CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C4[C@@](C)([C@@H](O)C[C@H]5OC[C@@]45OC(=O)C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C
143050 8.916 5 6.799562609 6.389540179 NotRecorded 1 5 -0.410022431 C\C=C\[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C
152441 8.238 5 7.887793222 8.54296875 NotRecorded 1 5 0.655175528 CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](O)C(=C1C)C3(C)C)OC(=O)C
152442 7.208 5 7.584581701 7.37453125 NotRecorded 1 5 -0.210050451 CC(=O)O[C@@]12COC1C[C@H](O)[C@]3(C)C2[C@H](Oc4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C([C@@H](O)C3=O)C6(C)C)C
152443 8.034 5 5.961742851 6.50378125 NotRecorded 1 5 0.542038399 CCCCCC(=O)N[C@@H](C=C(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(=O)N(C)C)C(=C1C)C3(C)C)OC(=O)C
152461 7.630150588 4 4.887404593 6.518444196 NotRecorded 1 4 1.631039604 C[C@H]1CCC\C(=C/C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)c2ccc3sc(C)nc3c2)\C
152709 8.818 5 5.922684954 5.981888393 NotRecorded 1 5 0.059203439 CC(=O)O[C@@]12COC1C[C@H](O)[C@]3(C)C2[C@H](Oc4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7occc7)C(=C([C@@H](O)C3=O)C6(C)C)C
152710 8.23 5 4.669495906 8.508325893 NotRecorded 1 5 3.838829987 C\C=C/[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](O)C(=C1C)C3(C)C)OC(=O)C
152711 6.716 5 6.576625644 6.092 NotRecorded 1 5 -0.484625644 CCCCCC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](O)C(=C1C)C3(C)C)OC(=O)C)c7ccccc7
152886 8.91 5 7.430972095 6.50378125 NotRecorded 1 5 -0.927190845 CC(=C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(=O)C7CC7)C(=C1C)C3(C)C)OC(=O)C)C
152887 8.992 5 7.422916204 6.50378125 NotRecorded 1 5 -0.919134954 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)CC3OC[C@@]3(OC(=O)C)C2[C@H](Oc4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(C)C)C(=C1C6(C)C)C
152995 8.120841952 786 7.266482595 9.997229326 Geminin, NotRecorded, Nuclear receptor ROR-gamma, Nuclear receptor subfamily 1 group I member 2, Peripheral myelin protein 22, Pregnane X receptor, Tubulin beta-2 chain 7 786 2.73074673 C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C
153002 8.442 5 6.995255117 6.0309375 NotRecorded 1 5 -0.964317617 CC(=C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(=O)C)C(=C1C)C3(C)C)OC(=O)C)C
153045 8.634 5 7.334688643 6.50378125 NotRecorded 1 5 -0.830907393 CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(=O)C7CC7)C(=C1C)C3(C)C)OC(=O)C
153083 9.14095703 9 5.600052949 7.684722222 NotRecorded, Tubulin beta-2 chain 2 9 2.084669273 C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ccccn3)\C
153175 6.972 5 6.705712202 7.473308036 NotRecorded 1 5 0.767595833 CC(=O)O[C@@]12COC1C[C@H](O)[C@]3(C)C2[C@H](Oc4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C)C(=C([C@@H](O)C3=O)C6(C)C)C
153176 8.842 5 8.19804995 8.508325893 NotRecorded 1 5 0.310275943 CC(=C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](O)C(=C1C)C3(C)C)OC(=O)C)C
153444 8.084 5 5.036989935 8.508325893 NotRecorded 1 5 3.471335957 CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](O)C(=C1C)C3(C)C)OC(=O)C
153505 8.128 5 6.706682569 7.473308036 NotRecorded 1 5 0.766625466 CC(=O)O[C@@]12COC1C[C@H](O)[C@]3(C)C2[C@H](Oc4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccc7)C(=C([C@@H](O)C3=O)C6(C)C)C
153506 8.066 5 7.067066332 6.0309375 NotRecorded 1 5 -1.036128832 CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(=O)C)C(=C1C)C3(C)C)OC(=O)C
153625 8.922 5 4.494248335 6.50378125 NotRecorded 1 5 2.009532915 COC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)CC3OC[C@@]3(OC(=O)C)C2[C@H](Oc4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(C)C)C(=C1C6(C)C)C
153661 8.842 5 6.881520014 6.04678125 NotRecorded 1 5 -0.834738764 CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](Oc4ccccc4)C5[C@@]6(COC6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(=O)N(C)C)C(=C1C)C3(C)C)OC(=O)C
157695 6.984 5 8.337118475 6.125325893 NotRecorded 1 5 -2.211792582 CC(C)CC(NC(=O)OC(C)(C)C)C(O)C(=O)OC1CC2(O)C(OC(=O)C=C(C)C)C3C(C)(C(O)CC4OCC34OC(=O)C)C(=O)C(OC(=O)C)C(=C1C)C2(C)C
157696 8.734 5 8.341842111 6.125325893 NotRecorded 1 5 -2.216516218 CC(=CC(NC(=O)OC(C)(C)C)C(O)C(=O)OC1CC2(O)C(OC(=O)C=C(C)C)C3C(C)(C(O)CC4OCC34OC(=O)C)C(=O)C(OC(=O)C)C(=C1C)C2(C)C)C
157699 8.276 5 8.400229457 5.996357143 NotRecorded 1 5 -2.403872314 CC(=CC(=O)OC1C2C(C)(C(O)CC3OCC23OC(=O)C)C(=O)C(OC(=O)C)C4=C(C)C(CC1(O)C4(C)C)OC(=O)C(O)C(NC(=O)OC(C)(C)C)c5ccccc5)C
157819 7.988 5 8.55525168 6.0974375 NotRecorded 1 5 -2.45781418 CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(=O)C)C2C(OC(=O)C4CCCCC4)C5(O)CC(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C
157821 7.802 5 8.212323039 5.996357143 NotRecorded 1 5 -2.215965896 C\C=C\C(NC(=O)OC(C)(C)C)C(O)C(=O)OC1CC2(O)C(OC(=O)C3CCCCC3)C4C(C)(C(O)CC5OCC45OC(=O)C)C(=O)C(OC(=O)C)C(=C1C)C2(C)C
158055 8.166 5 9.110597222 6.062794643 NotRecorded 1 5 -3.047802579 CC(C)CC(NC(=O)OC(C)(C)C)C(O)C(=O)OC1CC2(O)C(OC(=O)C3CCCCC3)C4C(C)(C(O)CC5OCC45OC(=O)C)C(=O)C(OC(=O)C)C(=C1C)C2(C)C
158056 8.674 5 8.788801064 5.996357143 NotRecorded 1 5 -2.792443921 CC(=CC(NC(=O)OC(C)(C)C)C(O)C(=O)OC1CC2(O)C(OC(=O)C3CCCCC3)C4C(C)(C(O)CC5OCC45OC(=O)C)C(=O)C(OC(=O)C)C(=C1C)C2(C)C)C
158057 7.522 5 8.20164261 6.518508929 NotRecorded 1 5 -1.683133681 CC(C)CC(=O)OC1C2C(C)(C(O)CC3OCC23OC(=O)C)C(=O)C(OC(=O)C)C4=C(C)C(CC1(O)C4(C)C)OC(=O)C(O)C(NC(=O)OC(C)(C)C)C=C(C)C
158126 7.042 5 8.193883689 5.996357143 NotRecorded 1 5 -2.197526546 CC(C)CC(NC(=O)OC(C)(C)C)C(O)C(=O)OC1CC2(O)C(OC(=O)CC(C)C)C3C(C)(C(O)CC4OCC34OC(=O)C)C(=O)C(OC(=O)C)C(=C1C)C2(C)C
158360 7.228 5 8.530853385 5.97 NotRecorded 1 5 -2.560853385 CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(=O)C)C2C(OC(=O)C4CCCCC4)C5(O)CC(OC(=O)C(O)C(NC(=O)OC(C)(C)C)C6CCCCC6)C(=C1C5(C)C)C
168512 4.876764535 4 3.76997619 6.855816406 DNA topoisomerase I, NotRecorded 2 4 3.085840216 CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc(N)ccc5nc34)C2=O
168997 6.056072538 5 4.38645106 6.254134821 NotRecorded 1 5 1.867683761 C[C@H]1CCC\C=C/C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c2csc(C)n2)\C
172859 4.566877865 12 5.250666397 6.1141875 NotRecorded 1 12 0.863521103 COc1ccc2nc3cc(cc(NCCN(C)C)c3c(O)c2c1)C(=O)NCCCN(C)CCCNC(=O)c4ccc(NCCN(C)C)c5c(O)c6cc(OC)ccc6nc45
173447 4.640690234 14 4.659249333 6.626991071 NotRecorded 1 14 1.967741738 CN(C)CCNc1ccc(C(=O)NCCCN(C)CCCNC(=O)c2cc(NCCN(C)C)c3c(O)c4ccccc4nc3c2)c5nc6ccccc6c(O)c15
176690 5.559871634 21 6.134947965 6.706584184 NotRecorded 1 21 0.571636219 COc1cc(cc(OC)c1OC)C2C3=C(O)OCC3=Nc4cc5OCOc5cc24
176962 6.341703502 10 6.903872756 6.070440625 NotRecorded 1 10 -0.833432131 COc1cc(cc(OC)c1OC)C2C3=C(O)OCC3=Nc4cc5OCCOc5cc24
182338 7.4175 4 4.935707337 6.143454241 NotRecorded 1 4 1.207746904 CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\OCc5ccccc5)c6ccccc6nc34)C2=O
185370 4.411888245 10 6.020808264 6.531813839 NotRecorded, Tubulin 2 10 0.511005575 COC1=CC2=C(C=CC1=O)c3c(CCC2NC(=O)C(F)(F)F)cc(OC)c(OC)c3OC
185371 4.335377702 10 5.315 6.489285714 NotRecorded, Tubulin 2 10 1.174285714 COC1=CC2=C(C=CC1=O)c3c(CCC2NC(=O)C)cc(OC)c(OC)c3OC
185372 4.93755985 11 6.211746307 5.519213068 NotRecorded, Tubulin 2 11 -0.692533239 COc1cc2CCC(NC(=O)C(F)(F)F)C3=C(C=CC(=O)C(=C3)O)c2c(OC)c1OC
185379 5.368093398 17 4.652782902 5.653643382 NotRecorded, Tubulin 2 17 1.000860481 COc1cc2CCC(NC(=O)C)C3=C(C=CC(=N)C(=C3)O)c2c(OC)c1OC
185431 4.785188886 17 3.124154384 5.879632616 NotRecorded, Tubulin 2 17 2.755478232 COC1=CC=C2C(=CC1=O)C(CCc3cc(OC)c(O)c(OC)c23)NC(=O)C
187372 6.533387356 1320 5.677025068 7.382486674 26S proteosome, ADAM17, Alpha-chymotrypsin, Androgen Receptor, Beta-chymotrypsin, Calpain 1, Caspase-2, Caspase-3, Caspase-7, Cathepsin B, Cathepsin G, Cathepsin H, Cathepsin L, Cathepsin S, Cathepsin Z, Chymase, Coagulation factor VII, Coagulation factor X, Coagulation factor XII, Dipeptidyl peptidase 1, Dipeptidyl peptidase IV, Endothelin-converting enzyme 1, Gamma-secretase, Heat shock protein beta-1, Leukocyte elastase, Lysosomal protective protein, Matrix metalloproteinase 8, Matrix metalloproteinase-1, Neprilysin, NotRecorded, Nuclear factor NF-kappa-B complex, Nuclear factor erythroid 2-related factor 2, Peroxisome proliferator-activated receptor delta, Plasma kallikrein, Plasminogen, Proteasome Macropain subunit, Proteasome Macropain subunit MB1, Proteasome component C5, Proteasome subunit beta type-8, Thrombin, Tissue-type plasminogen activator, Trypsin, Ubl carboxyl-terminal hydrolase 18 43 1320 1.705461607 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O
189773 9.24 4 8.372098331 6.11871875 NotRecorded 1 4 -2.253379581 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=C1C5(C)C)C
189912 8.73 4 8.924493857 6.389540179 NotRecorded 1 4 -2.534953678 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
190202 8.54 4 8.917950473 5.8385 NotRecorded 1 4 -3.079450473 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC=C)NC(=O)OC(C)(C)C)C(=C1C5(C)C)C
190566 8.8825 4 6.153551552 5.996357143 NotRecorded 1 4 -0.15719441 COc1cccc(c1)C(=O)O[C@H]2C3[C@@](C)([C@@H](O)C[C@H]4OC[C@@]34OC(=O)C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(C)C
190760 8.5325 4 7.238764997 6.11871875 NotRecorded 1 4 -1.120046247 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CCC=C)NC(=O)OC(C)(C)C)C(=C1C5(C)C)C
194551 7.011960784 5 6.177634886 5.986609821 NotRecorded 1 5 -0.191025064 COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4c3cc(NC(=O)C(C)Nc5c(cc(cc5[N+](=O)[O-])C(=O)NCCN(C)C)[N+](=O)[O-])c6ccccc46
195009 4.93 5 4.657918414 4.81313506 NotRecorded, Tubulin 2 5 0.155216645 CCCCC1Cc2cc(O)ccc2c3c(C=O)c4cc(O)c(O)cc4n13
202081 7.533910216 5 7.149044238 7.381638393 NotRecorded 1 5 0.232594155 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](C(=O)c4ccsc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202082 7.429910216 5 7.166197015 6.229763393 NotRecorded 1 5 -0.936433622 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](C(=O)c4cccs4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202110 6.826032214 5 7.383953207 7.381638393 NotRecorded 1 5 -0.002314814 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccc(O)cc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202223 7.961666667 6 7.136577578 7.35528125 NotRecorded 1 6 0.218703672 CCOc1cccc(c1)C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)OC(=O)C
202260 7.473360179 6 7.998165926 7.48271875 NotRecorded 1 6 -0.515447176 CC(C)Oc1cccc(c1)C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)OC(=O)C
202427 7.134032214 5 7.120654163 5.988071429 NotRecorded 1 5 -1.132582734 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cc(cc(c4)[N+](=O)[O-])[N+](=O)[O-])[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202428 8.648 5 6.948207155 7.7978125 NotRecorded 1 5 0.849605345 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cc(Cl)cc(Cl)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202442 7.187910216 5 6.971989113 7.774821429 NotRecorded 1 5 0.802832316 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](C(=O)c4cocc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202443 6.985910216 5 6.733189113 7.916061012 NotRecorded 1 5 1.182871899 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](C(=O)c4occc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202541 8.715 4 5.284027334 7.466875 NotRecorded 1 4 2.182847666 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cc(F)cc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202558 7.83992518 6 7.332656748 6.6781875 NotRecorded 1 6 -0.654469248 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccc(F)c(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202699 7.681591846 6 7.730867081 7.22378125 NotRecorded 1 6 -0.507085831 COc1cc(OC)cc(c1)C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)OC(=O)C
202702 5.144094978 26 4.447870568 6.73921875 Androgen Receptor, NotRecorded 2 26 2.291348182 CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2
202712 7.908258513 6 7.499927424 7.29428125 NotRecorded 1 6 -0.205646174 COc1ccccc1C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)OC(=O)C
202737 6.716081179 5 6.657996853 6.229763393 NotRecorded 1 5 -0.428233461 COc1cc(cc(OC)c1OC)C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)OC(=O)C
202752 8.972 5 7.784286463 6.69403125 NotRecorded 1 5 -1.090255213 COc1cccc(c1)C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)OC(=O)C
202770 8.385 4 7.58298626 6.69403125 NotRecorded 1 4 -0.88895501 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(c4)C#N)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202850 6.982540268 4 7.314161021 7.4004375 NotRecorded 1 4 0.086276479 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4F)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202851 6.957540268 4 7.091982392 6.6781875 NotRecorded 1 4 -0.413794892 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccc(Cl)cc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202935 8.696 5 7.687297669 6.6781875 NotRecorded 1 5 -1.009110169 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cc(F)ccc4F)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202982 8.745 4 7.295681718 7.37453125 NotRecorded 1 4 0.078849532 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(Br)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
202983 8.66 5 4.1999113 7.37453125 NotRecorded 1 5 3.17461995 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(Cl)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
203002 8.5175 4 6.736023923 6.58584375 NotRecorded 1 4 -0.150180173 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccc(Cl)c(Cl)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
203042 8.452857143 7 7.560169016 7.381638393 NotRecorded 1 7 -0.178530623 COc1ccc(OC)c(c1)C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)OC(=O)C
203043 6.770081179 5 7.879834969 6.229763393 NotRecorded 1 5 -1.650071576 COc1cccc(C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)OC(=O)C)c1OC
203061 7.619910216 5 8.047611448 6.312044643 NotRecorded 1 5 -1.735566805 CSc1cccc(c1)C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)OC(=O)C
203122 7.856 5 6.951628602 6.61175 NotRecorded 1 5 -0.339878602 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
203511 7.081666667 6 4.682199643 5.932058036 NotRecorded 1 6 1.249858393 CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc(OC(=O)COc6ccc(F)cc6)ccc5nc34)C2=O
203647 7.791666667 6 6.708816599 6.912389286 NotRecorded 1 6 0.203572686 CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(COC(=O)COc5ccc(OC)cc5)c6ccccc6nc34)C2=O
203665 6.984184151 13 5.277342577 6.744603743 NotRecorded 1 13 1.467261167 CN(C)c1ccc2nc3C(=O)c4cccnc4c5nccc(c2c1)c35
203924 6.92 6 5.961049543 6.787901786 NotRecorded 1 6 0.826852243 CC[C@@]1(OC(=O)Cc2cc(OC)c(OC)c(OC)c2)C(=O)OCC3=C1C=C4N(Cc5c(COC(=O)Cc6cc(OC)c(OC)c(OC)c6)c7ccccc7nc45)C3=O
204683 6.177261074 13 5.221146134 6.825736538 NotRecorded 1 13 1.604590405 Clc1ccc2nc3C(=O)c4cccnc4c5nccc(c2c1)c35
206715 5.619725226 9 8.479906501 8.040044643 NotRecorded, Tubulin 2 9 -0.439861858 CCC(C)(C)OC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]4[C@@](C)([C@@H](O)C[C@H]5OC[C@@]45OC(=O)C)C(=O)[C@H](O)C(=C1C)C2(C)C)C(C)(C)C
207268 5.511994233 9 7.190222222 8.231464286 NotRecorded, Tubulin 2 9 1.041242063 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)C(C)(C)C)C(=C([C@@H](O)C3=O)C5(C)C)C
207269 5.407147095 8 5.761850945 8.262647321 NotRecorded, Tubulin 2 8 2.500796376 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)Oc6ccccc6)C(C)(C)C)C(=C([C@@H](O)C3=O)C5(C)C)C
207365 5.389318731 8 6.722235752 8.313245536 NotRecorded, Tubulin 2 8 1.591009784 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(C)(C)C)C(=C([C@@H](O)C3=O)C5(C)C)C
207392 5.710817939 9 7.839489834 7.779897321 NotRecorded, Tubulin 2 9 -0.059592512 CC(C)COC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]4[C@@](C)([C@@H](O)C[C@H]5OC[C@@]45OC(=O)C)C(=O)[C@H](O)C(=C1C)C2(C)C)C(C)(C)C
207521 5.463411895 9 8.775006 6.608075893 NotRecorded, Tubulin 2 9 -2.166930107 CCCCOC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]4[C@@](C)([C@@H](O)C[C@H]5OC[C@@]45OC(=O)C)C(=O)[C@H](O)C(=C1C)C2(C)C)C(C)(C)C
207522 5.660138731 9 8.123862105 8.395683036 NotRecorded, Tubulin 2 9 0.271820931 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=C([C@@H](O)C3=O)C5(C)C)C
207562 5.495959038 9 7.381035726 8.252517857 NotRecorded, Tubulin 2 9 0.871482131 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=C([C@@H](O)C3=O)C5(C)C)C
211126 4.494248894 9 5.047901952 6.009455357 NotRecorded 1 9 0.961553405 COC(=O)c1ccccc1S[C@@H]2CC(=O)O[C@@H](C)CCC\C=C\[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O
212332 4.440418873 4 4.89376803 6.03461734 NotRecorded 1 4 1.140849309 CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c3nc5ccc(O)cc5c4[Si](C)(C)CCCCl)C2=O
212380 3.953676656 4 4.768489537 6.436354665 NotRecorded 1 4 1.667865129 CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c3nc5ccccc5c4[Si](C)(C)CCCCl)C2=O
212827 7.0575 4 5.85762444 6.039580357 NotRecorded 1 4 0.181955917 CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(C=O)c5ccccc5nc34)C2=O
212936 6.173318939 4 7.173601769 7.915142857 NotRecorded 1 4 0.741541088 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)C(NC(=O)C6CCC6)c7ccccc7)C(=C1C5(C)C)C
218742 4.596666667 9 4.867727998 6.464122396 Tubulin 1 9 1.596394398 COc1cc2CCC(C3=CC(=O)C(=CC=C3)N)c2c(OC)c1OC
218769 5.237585833 12 5.769522534 5.754688244 NotRecorded, Tubulin 2 12 -0.01483429 COc1ccc(cc1O)C2CCc3cc(OC)c(OC)c(OC)c23
218800 4.2475 12 4.396509277 5.030955208 NotRecorded, Tubulin 2 12 0.634445931 COc1cc(ccc1O)C2CCc3cc(OC)c(OC)c(OC)c23
218883 4.566666667 9 5.705192695 6.212978571 Tubulin 1 9 0.507785876 COc1cc2CCC(C3=CC(=O)C(=CC=C3)Br)c2c(OC)c1OC
239829 7.635 4 5.06524552 6.01190625 NotRecorded 1 4 0.94666073 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@](C)(O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C1C6(C)C)C
240490 7.66 4 6.913884533 7.381638393 NotRecorded 1 4 0.46775386 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@](C)(O)[C@@H](NC(=O)c6ccccc6)c7occc7)C(=C1C5(C)C)C
252957 4.688401971 4 4.932806094 8.331375 Tubulin 1 4 3.398568906 COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3C(COC3=O)Cc4cc5OCOc5cc24
254992 4.925657052 6 4.865293357 8.331375 NotRecorded 1 6 3.466081643 COc1cc2CC3C(COC3=O)Cc4cc5OCOc5cc4c2c(OC)c1OC
255052 4.12496732 6 3.912654913 8.331375 Tubulin 1 6 4.418720087 COc1cc2C[C@H]3[C@@H](COC3=O)Cc4cc5OCOc5cc4c2c(OC)c1OC
255517 4.218533828 6 4.10564483 8.331375 NotRecorded 1 6 4.22573017 COc1cc2C[C@H]3[C@H](COC3=O)Cc4cc5OCOc5cc4c2c(OC)c1OC
255540 4.32658628 6 5.759961622 6.832771577 NotRecorded 1 6 1.072809956 COc1cc2C[C@@H]3[C@H](COC3=O)[C@H](OC(=O)C)c4cc5OCOc5cc4c2c(OC)c1OC
255580 4.937959116 4 5.016716219 8.331375 NotRecorded 1 4 3.314658781 COc1cc(cc(OC)c1OC)C2[C@@H]3C(COC3=O)Cc4cc5OCOc5cc24
255812 4.653911857 17 4.532860466 8.331375 NotRecorded 1 17 3.798514534 COc1cc2C[C@@H]3[C@H](COC3=O)Cc4cc5OCOc5cc4c2c(OC)c1OC
256030 4.527189458 10 4.524986415 8.331375 NotRecorded, Tubulin 2 10 3.806388585 COc1cc2C[C@@H]3[C@@H](COC3=O)Cc4cc5OCOc5cc4c2c(OC)c1OC
289629 5.89 15 2 7.25 Tubulin 1 15 5.25 COc1cc2CCC(OC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC
289939 5.96 15 2 7.25 Tubulin 1 15 5.25 COc1cc2CCC(OC(=O)c3ccncc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC
289949 6.06 15 2 7.25 Tubulin 1 15 5.25 COc1cc2CCC(OC(=O)c3cccnc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC
290166 5.433125614 18 3.180271685 6.988391865 NotRecorded, Tubulin, Tubulin alpha chain 3 18 3.80812018 COc1cc2CC[C@@H](OC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC
291812 5.982297679 20 4.6658095 5.95771 NotRecorded, Tubulin, Tubulin alpha chain 3 20 1.2919005 COc1cc2CCC(=O)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC
292468 5.92 15 5.700507337 8.89175 Tubulin 1 15 3.191242663 COc1cc2CCC(O)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC
307188 9.216 10 8.86138279 5.909 NotRecorded 1 10 -2.95238279 COc1cccc(c1)C(=O)O[C@H]2[C@H]3[C@@](C)([C@@H](O)C[C@H]4OC[C@@]34OC(=O)C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(C)C
311510 7.058227734 12 4.681251526 8.557558036 4′-phosphopantetheinyl transferase ffp, Geminin, NotRecorded, Nuclear receptor ROR-gamma, Peripheral myelin protein 22 5 12 3.87630651 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)C(O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
327954 9.111528263 7 6.870851701 8.684885842 NotRecorded, Tubulin beta-2 chain 2 7 1.814034141 C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ccc(C)cn3)\C
327961 7.253264261 7 5.898603169 8.684885842 NotRecorded, Tubulin beta-2 chain 2 7 2.786282673 C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3cccc(C)n3)\C
327969 9.103340701 7 6.484061666 8.607709821 NotRecorded, Tubulin beta-2 chain 2 7 2.123648155 C[C@H]1CCC[C@@]2(CF)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C
327970 7.511528263 7 5.899601165 6.223785714 NotRecorded, Tubulin beta-2 chain 2 7 0.324184549 CSc1nc(\C=C(/C)\[C@@H]2C\C=C/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1
327980 8.783333333 6 5.503040794 9.52971875 NotRecorded 1 6 4.026677956 C[C@H]1CCC[C@H]2C[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C
332293 6.758 10 6.837806276 8.045482143 NotRecorded 1 10 1.207675867 CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H](\C(=C(\O)/C(=O)C(=C1C)C2(C)C)\C)[C@@]4(CO[C@@H]4CCO)OC(=O)C
332380 7.149743318 17 6.688883127 6.06125 NotRecorded 1 17 -0.627633127 CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]23[C@@H](OC(=O)c4ccccc4)[C@@H]5[C@@]6(CO[C@@H]6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(=O)C)C(=C1C)C3(C)C)OC(=O)C
336736 5.780878757 32 6.690574477 6.381206473 NotRecorded, Tubulin 2 32 -0.309368003 COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc3cc(OC)cc(OC)c3
336766 4.680656478 17 6.336583333 5.688945483 NotRecorded, Tubulin 2 17 -0.64763785 CCOC(=O)c1[nH]c2ccc(OC)cc2c1Sc3ccc(OC)cc3
336806 4.948235294 17 6.316485439 5.650174895 NotRecorded, Tubulin 2 17 -0.666310544 CCOC(=O)c1[nH]c2ccc(OC)cc2c1Sc3ccccc3OC
336812 5.084503749 16 6.570485439 6.580324219 NotRecorded, Tubulin 2 16 0.00983878 CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1Sc3ccccc3
336847 4.660697508 16 5.872882963 5.934396484 NotRecorded, Tubulin 2 16 0.061513522 COC(=O)c1[nH]c2cc(OC)ccc2c1Sc3ccccc3
336875 4.680656478 17 6.811741879 6.153389535 NotRecorded, Tubulin 2 17 -0.658352344 CCOC(=O)c1[nH]c2ccccc2c1Sc3ccc(OC)cc3
336879 4.779532941 17 5.826770784 6.054727941 NotRecorded, Tubulin 2 17 0.227957157 COC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c3cccc(OC)c3
336884 5.075594523 32 7.425360386 6.258324526 NotRecorded, Tubulin 2 32 -1.16703586 COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc3ccccc3OC
336885 4.660697508 16 5.225852082 6.595123326 NotRecorded, Tubulin 2 16 1.369271244 COC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c3ccccc3OC
336887 4.660697508 16 5.735833333 6.308148438 NotRecorded, Tubulin 2 16 0.572315104 COC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c3ccc(OC)cc3
336889 4.660697508 16 6.532758101 6.768917969 NotRecorded, Tubulin 2 16 0.236159867 COC(=O)c1[nH]c2ccc(OC)cc2c1S(=O)(=O)c3ccccc3
336904 4.660697508 16 5.872882963 5.975590234 NotRecorded, Tubulin 2 16 0.102707272 COC(=O)c1[nH]c2cccc(OC)c2c1Sc3ccccc3
336917 5.432895943 32 7.379904146 5.7206741 NotRecorded, Tubulin 2 32 -1.659230046 COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc3cccc(OC)c3
336944 4.660697508 16 4.172479186 6.538378251 NotRecorded, Tubulin 2 16 2.365899064 CCCOC(=O)c1[nH]c2ccccc2c1Sc3ccccc3
336979 5.150128749 16 7.645792445 5.98930127 NotRecorded, Tubulin 2 16 -1.656491175 CCOC(=O)c1[nH]c2ccccc2c1Sc3ccccc3OC
336995 5.332142763 32 7.664598936 6.254256515 NotRecorded, Tubulin 2 32 -1.410342421 CCOC(=O)c1[nH]c2ccccc2c1Sc3cccc(OC)c3
336999 4.981378749 16 5.079972916 6.538378251 NotRecorded, Tubulin 2 16 1.458405334 CC(C)OC(=O)c1[nH]c2ccccc2c1Sc3ccccc3
337009 4.660697508 16 5.302051242 6.462729325 NotRecorded, Tubulin 2 16 1.160678082 CCCCOC(=O)c1[nH]c2ccccc2c1Sc3ccccc3
337010 4.660697508 16 5.330155272 6.551465751 NotRecorded, Tubulin 2 16 1.221310479 CCC(C)OC(=O)c1[nH]c2ccccc2c1Sc3ccccc3
337045 4.660697508 16 5.189140052 6.551465751 NotRecorded, Tubulin 2 16 1.362325699 CC(C)(C)OC(=O)c1[nH]c2ccccc2c1Sc3ccccc3
337183 4.660697508 16 5.260376708 6.538378251 NotRecorded, Tubulin 2 16 1.278001543 CC(C)CCOC(=O)c1[nH]c2ccccc2c1Sc3ccccc3
337190 4.660697508 16 5.4875 6.041497391 NotRecorded, Tubulin 2 16 0.553997391 O=C(OCc1ccccc1)c2[nH]c3ccccc3c2Sc4ccccc4
340290 5.528125 16 5.408667368 6.013825893 NotRecorded, Tubulin 2 16 0.605158525 CS(=O)(=O)Nc1ccc(CNc2ncccc2c3oc(Nc4ccc5OCOc5c4)nn3)cc1
343116 5.236364005 25 6.494 5.672457036 NotRecorded, Tubulin 2 25 -0.821542964 Nc1ccccc1C(=O)NC(=O)Nc2ccc(Sc3ncc(Br)cn3)cc2
345210 5.819363217 9 7.108729919 7.948625 NotRecorded 1 9 0.839895081 CC(C)[C@]12O[C@H]1[C@@H]3O[C@@]34[C@@]5(C)CCC6=C(COC6=O)[C@@H]5C[C@@H]7O[C@]47[C@H]2O
348864 5.585466448 49 7.440460124 5.25423852 NotRecorded, Tubulin 2 49 -2.186221603 COc1cc(\C=C/Cc2cc(O)c3ccoc3c2)cc(OC)c1OC
351365 6.37922086 5 5.209604595 6.07796875 NotRecorded 1 5 0.868364155 C[C@H]1CCC\C=C\[C@@H]2C[C@@H](C[C@H]2[C@H](O)\C=C\C(=O)O1)OC(=O)CCCC(=O)NCCCCCCO
353683 6.427267714 13 5.169108276 6.87231147 Heat shock protein 90 beta, Heat shock protein HSP90, NotRecorded 3 13 1.703203194 CO[C@H]1C[C@H](C)CC2=C(NC[C@H](O)CO)C(=O)C=C(NC(=O)\C(=C\C=C/[C@H](OC)[C@@H](OC(=O)N)\C(=C\[C@H](C)[C@H]1O)\C)\C)C2=O
355713 6.760847175 8 5.595559008 7.179875 NotRecorded 1 8 1.584315992 COc1cc2C(=O)N(CCNCCCNCCN3C(=O)c4cc(OC)c(OC)cc4C5=C3c6ccccc6C5=O)C7=C(C(=O)c8ccccc78)c2cc1OC
355714 5.601304038 8 6.607947679 6.950433036 NotRecorded 1 8 0.342485356 COc1cc2C(=O)N(CCCNCCCNCCCN3C(=O)c4cc(OC)c(OC)cc4C5=C3c6ccccc6C5=O)C7=C(C(=O)c8ccccc78)c2cc1OC
355717 6.524428283 8 6.502875668 7.662245536 NotRecorded 1 8 1.159369867 [O-][N+](=O)c1cc2C(=O)N(CCNCCCNCCN3C(=O)c4cc(c(cc4C5=C3c6ccccc6C5=O)[N+](=O)[O-])[N+](=O)[O-])C7=C(C(=O)c8ccccc78)c2cc1[N+](=O)[O-]
355718 5.757756676 8 6.524192664 7.45884375 NotRecorded 1 8 0.934651086 [O-][N+](=O)c1cc2C(=O)N(CCCNCCCNCCCN3C(=O)c4cc(c(cc4C5=C3c6ccccc6C5=O)[N+](=O)[O-])[N+](=O)[O-])C7=C(C(=O)c8ccccc78)c2cc1[N+](=O)[O-]
355917 6.125412975 318 5.121274678 6.177424241 ATP-dependent DNA helicase Q1, ATPase family AAA domain-containing protein 5, Acetylcholinesterase, Androgen Receptor, Ataxin-2, Cholinesterase, Geminin, Heat shock protein beta-1, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Huntingtin, Hypoxia-inducible factor 1 alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Lysine-specific demethylase 4A, Lysine-specific demethylase 4D-like, Menin/Histone-lysine N-methyltransferase MLL, Microtubule-associated protein tau, Mothers against decapentaplegic homolog 3, Niemann-Pick C1 protein, NotRecorded, Nuclear factor NF-kappa-B p105 subunit, Nuclear factor erythroid 2-related factor 2, Nuclear receptor subfamily 0 group B member 1, Paired box protein Pax-8, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Peroxisome proliferator-activated receptor delta, Prelamin-A/C, Proto-oncogene c-JUN, Ras-related protein Rab-9A, Thioredoxin reductase 1- cytoplasmic, Tubulin 30 318 1.056149563 CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.OS(=O)(=O)O
355983 4.8125 16 7.325161411 6.597680455 NotRecorded, Tubulin 2 16 -0.727480956 COc1cc(cc(OC)c1OC)c2cocc2c3ccc4OCOc4c3
356591 5.100625 16 6.041781535 6.703854818 NotRecorded, Tubulin 2 16 0.662073282 COc1cc(cc(OC)c1OC)c2cocc2c3ccc(OC)c(c3)[N+](=O)[O-]
356592 5.205625 16 6.939754223 5.843342727 NotRecorded, Tubulin 2 16 -1.096411497 COc1ccc(cc1N)c2cocc2c3cc(OC)c(OC)c(OC)c3
358025 5.100979548 4 4.791228048 6.308452679 Tubulin 1 4 1.517224631 CC(C)c1cccc(C(C)C)c1N2C(=O)c3cccc(F)c3C2=O
358262 5.141176471 17 6.376875 5.98977405 NotRecorded, Tubulin 2 17 -0.38710095 COc1ccc(Nc2nc(cs2)n3cc(C)nc3C)cc1
360419 6.335 12 5.674023143 6.576375 NotRecorded 1 12 0.902351857 C\C(=N/Nc1oc2ccccc2n1)\c3nccc4ccccc34
360470 7.19 12 6.879158235 6.060791667 NotRecorded 1 12 -0.818366568 N(\N=C(/c1ccccc1)\c2ccccn2)c3oc4ccccc4n3
360593 4.745945243 36 7.217246856 5.83000744 NotRecorded, Tubulin 2 36 -1.387239416 COc1ccc(N)c(\C=C/c2cc(OC)c(OC)c(OC)c2)c1
360614 4.841071018 36 5.749701514 5.593878423 NotRecorded, Tubulin 2 36 -0.155823092 COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])cc1
360649 4.713071179 36 4.65886159 6.12688244 NotRecorded, Tubulin 2 36 1.468020851 COc1ccc(\C=C/c2cc(OC)c(OC)cc2N)cc1
366705 5.998823529 17 6.727312067 6.203857143 NotRecorded, Tubulin 2 17 -0.523454925 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C=C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7cccc(OCC=C)c7)C(=C1C5(C)C)C
366706 6.015294118 17 6.004024193 6.4595625 NotRecorded, Tubulin 2 17 0.455538307 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C=C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7cccc(C=C)c7)C(=C1C5(C)C)C
366707 5.830134195 17 6.727312067 6.203857143 NotRecorded, Tubulin 2 17 -0.523454925 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C=C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7OCC=C)C(=C1C5(C)C)C
366734 6.570563032 20 6.727312067 6.268263393 NotRecorded, Tubulin 2 20 -0.459048675 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)CCC=C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7OCC=C)C(=C1C5(C)C)C
366735 6.52335294 20 5.864312067 6.246982143 NotRecorded, Tubulin 2 20 0.382670075 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)CCC=C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7cccc(C=C)c7)C(=C1C5(C)C)C
366736 5.727112495 17 6.727312067 6.268263393 NotRecorded, Tubulin 2 17 -0.459048675 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)CCC=C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7cccc(OCC=C)c7)C(=C1C5(C)C)C
366738 5.382272501 17 6.84630239 6.196875 NotRecorded, Tubulin 2 17 -0.64942739 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)\C=C/COc5cccc(c5)[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366739 6.829131476 20 6.889870865 7.405742188 NotRecorded, Tubulin 2 20 0.515871323 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)\C=C/COc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366740 6.507443898 20 6.578579198 6.21134375 NotRecorded, Tubulin 2 20 -0.367235448 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)\C=C\CCOc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366741 7.245659059 20 5.717454198 6.9953125 NotRecorded, Tubulin 2 20 1.277858302 CC(=O)O[C@H]1C(=O)[C@]2(C)C(O)C[C@H]3OC[C@]34OC(=O)\C=C/Cc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366742 6.758219686 4 6.533491261 6.962835938 NotRecorded 1 4 0.429344676 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CC\C=C\COc5cccc(c5)[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366743 6.08955395 20 6.219370865 6.55784375 NotRecorded, Tubulin 2 20 0.338472885 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CC\C=C\c5cccc(c5)[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366744 6.119197786 17 7.082370865 6.962835938 NotRecorded, Tubulin 2 17 -0.119534927 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CC\C=C\COc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366745 6.326227174 17 6.727312067 6.875929688 NotRecorded, Tubulin 2 17 0.14861762 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCC\C=C\COc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366746 6.030162104 17 6.727312067 6.940335938 NotRecorded, Tubulin 2 17 0.21302387 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCC\C=C\COc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366747 5.955181145 17 6.772954198 6.04865625 NotRecorded, Tubulin 2 17 -0.724297948 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCOc5cccc(c5)[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366748 6.429191431 20 5.15275 6.1304375 NotRecorded, Tubulin 2 20 0.9776875 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCOc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366749 6.765534262 17 7.732454198 6.968273438 NotRecorded, Tubulin 2 17 -0.764180761 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCCOc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366750 7.329335529 20 6.523120865 6.55784375 NotRecorded, Tubulin 2 20 0.034722885 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366752 5.498106838 17 6.736395401 6.875929688 NotRecorded, Tubulin 2 17 0.139534287 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCCCOc5cccc(c5)[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366753 5.829887027 17 5.864312067 6.4655 NotRecorded, Tubulin 2 17 0.601187933 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCCc5cccc(c5)[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366754 6.181635066 17 6.727312067 6.875929688 NotRecorded, Tubulin 2 17 0.14861762 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCCCOc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366755 6.068748007 17 6.727312067 6.875929688 NotRecorded, Tubulin 2 17 0.14861762 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCCCCOc5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366756 6.766605347 17 6.219370865 6.49140625 NotRecorded, Tubulin 2 17 0.272035385 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)C\C=C\c5ccccc5[C@H](NC(=O)c6ccccc6)[C@@H](O)C(=O)O[C@H]7C[C@@](O)([C@@H](OC(=O)c8ccccc8)[C@@H]24)C(C)(C)C1=C7C
366757 6.441875127 17 7.082370865 6.901835938 NotRecorded, Tubulin 2 17 -0.180534927 COc1cccc(c1)C(=O)O[C@H]2[C@@H]3[C@]45CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C6=C(C)[C@H](C[C@]2(O)C6(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c7ccccc7)c8ccccc8\C=C\CC(=O)O5
366759 6.806097635 17 7.732454198 7.405742188 NotRecorded, Tubulin 2 17 -0.326712011 COc1cccc(c1)C(=O)O[C@H]2[C@@H]3[C@]45CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C6=C(C)[C@H](C[C@]2(O)C6(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c7ccccc7)c8ccccc8C\C=C\C(=O)O5
366760 6.587474047 17 6.048416667 7.111148438 NotRecorded, Tubulin 2 17 1.062731771 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)C\C=C\c5ccccc5[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]6C[C@@](O)([C@@H](OC(=O)c7ccccc7)[C@@H]24)C(C)(C)C1=C6C
366786 5.051176471 17 7.349770868 5.978651961 NotRecorded, Tubulin 2 17 -1.371118908 COc1cc(cc(OC)c1OC)c2nncn2c3ccc4N(C)CCc4c3
366793 6.648284005 17 6.048416667 7.339304688 NotRecorded, Tubulin 2 17 1.290888021 COc1cccc(c1)C(=O)O[C@H]2[C@@H]3[C@]45CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C6=C(C)[C@H](C[C@]2(O)C6(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccc7\C=C\CC(=O)O5
366794 7.010641907 17 6.6985 6.21134375 NotRecorded, Tubulin 2 17 -0.48715625 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCc5ccccc5[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]6C[C@@](O)([C@@H](OC(=O)c7ccccc7)[C@@H]24)C(C)(C)C1=C6C
366795 6.944921164 17 6.509 6.232625 NotRecorded, Tubulin 2 17 -0.276375 COc1cccc(c1)C(=O)O[C@H]2[C@H]3[C@@]4(C)[C@@H](O)C[C@H]5OC[C@@]35OC(=O)CCCc6ccccc6[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]7C[C@]2(O)C(C)(C)C(=C7C)[C@@H](OC(=O)C)C4=O
370446 6.136667661 7 2.400514998 6.0561875 NotRecorded 1 7 3.655672502 O[C@@H]1[C@@H](O)[C@H](O)[C@@H]2[C@@H](NC(=O)c3c(O)c4OCOc4cc23)[C@@H]1O
370513 4.51851394 7 3.625243459 6.6045 NotRecorded 1 7 2.979256541 COC(=O)C(=O)Oc1c2OCOc2cc3c1C(=O)N([C@H]4[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@]34OC(=O)C(=O)OC)C(=O)C(=O)OC
370515 5.044462856 7 5.226796144 6.541739583 NotRecorded 1 7 1.314943439 CC(=O)O[C@H]1[C@@H](OC(=O)C)[C@@H]2NC(=O)c3c(O)c4OCOc4cc3[C@@]25OC(=O)O[C@H]5[C@@H]1OC(=O)C
373121 4.95289513 31 5.646442755 6.024482863 NotRecorded, Tubulin 2 31 0.378040108 COC(=O)c1[nH]c2ccc(OC)cc2c1Sc3ccccc3
373350 4.768540129 4 4.851089559 7.109173438 NotRecorded 1 4 2.258083878 COc1cc(cc(O)c1O)[C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c4cc(OC)c5OCOc5c4
374993 4.606 5 4.139262854 6.053227679 NotRecorded 1 5 1.913964825 C[C@@H]1NC(=O)[C@H](Cc2ccccc2)OC(=O)[C@@H](Cc3ccc(OCC=C(C)C)cc3)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc4ccc(O)cc4)NC(=O)CNC1=O
378179 5.551531476 5 5.533710182 7.5855125 NotRecorded 1 5 2.051802318 C[C@@H]1[C@H](O[C@@]2(O)C[C@H]3[C@@H](C[C@@H](O)[C@@]4(Cl)CC=CC(=O)[C@]34C)[C@@H]5CC[C@]1(O)[C@@]25C)[C@@H]6OC(=O)C(=C6C)C
380607 5.57699244 34 6.559988225 5.753484375 NotRecorded, Tubulin 2 34 -0.80650385 COc1cc(Sc2c[nH]c3ccccc23)cc(OC)c1OC
380608 5.251741239 31 7.84776652 6.581631048 NotRecorded, Tubulin 2 31 -1.266135472 COc1cc(Sc2c(C)[nH]c3ccccc23)cc(OC)c1OC
380612 5.419710398 31 6.899483156 6.454177383 NotRecorded, Tubulin 2 31 -0.445305773 COc1cc(Sc2c(C)[nH]c3ccc(Cl)cc23)cc(OC)c1OC
380619 5.368515433 31 7.721038279 6.784576613 NotRecorded, Tubulin 2 31 -0.936461666 COc1ccc2[nH]cc(Sc3cc(OC)c(OC)c(OC)c3)c2c1
380622 4.78875 16 6.826593189 5.940376018 NotRecorded, Tubulin 2 16 -0.886217172 COc1cc(Sc2c[nH]c3ccc(OC(C)C)cc23)cc(OC)c1OC
380736 6.76 5 5.56365726 7.844405833 NotRecorded 1 5 2.280748574 CO[C@@H]1C[C@@H](C)O[C@H]2O[C@@H]3C=C4CC[C@@H]5[C@H](CC[C@]6(C)[C@H]([C@H](C[C@]56O)OC(=O)C)C7=CC(=O)OC7)[C@@]4(C)C[C@H]3O[C@@]12O
380738 7.208 5 5.149109007 6.490371607 NotRecorded 1 5 1.3412626 CO[C@H]1CCO[C@H]2O[C@@H]3C=C4CC[C@@H]5[C@H](CC[C@]6(C)[C@H](CC[C@]56O)C7=CC(=O)OC7)[C@@]4(C)C[C@H]3O[C@@]12O
382836 5.814166151 6 5.083173389 7.128051786 NotRecorded 1 6 2.044878397 CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O
382840 4.853908799 4 5.670845865 6.4983125 NotRecorded 1 4 0.827466635 CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@]45O[C@@]46CC=C(C7=CC(=O)OC7)[C@@]6(C)CC[C@H]35)C2)O[C@H](C)[C@@H]1O
382843 5.087972344 5 4.327579123 7.22804375 NotRecorded 1 5 2.900464627 CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@]45O[C@@]46C[C@H]7O[C@@]7(C8=CC(=O)OC8)[C@@]6(C)CC[C@H]35)C2)O[C@H](C)[C@@H]1O
382845 5.237108275 7 5.817846891 7.341297321 NotRecorded 1 7 1.523450431 CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC(=O)C)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O
382846 6.568304497 267 3.173465617 6.201095729 ATPase family AAA domain-containing protein 5, Chromobox protein homolog 1, Geminin, Glucagon-like peptide 1 receptor, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, Niemann-Pick C1 protein, NotRecorded, Nuclear factor erythroid 2-related factor 2, Paired box protein Pax-8, Potassium-transporting ATPase alpha chain 2, Ras-related protein Rab-9A, Sodium/potassium-transporting ATPase, Sodium/potassium-transporting ATPase alpha-1 chain, Thioredoxin reductase 1- cytoplasmic, Thyroid stimulating hormone receptor 17 267 3.027630111 C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5
382847 5.583129484 7 5.225107349 6.982352423 NotRecorded 1 7 1.757245074 CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O
382849 5.229079044 5 5.77965646 5.5983125 NotRecorded 1 5 -0.18134396 CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@]45O[C@@]46CC=C(C7=CC(=O)OC7)[C@@]6(C)CC[C@H]35)C2)O[C@H](C)[C@@H]1O
382852 5.154795468 6 5.756780136 7.317488542 NotRecorded 1 6 1.560708406 CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC(=O)C)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O
387659 5.792240683 37 7.558352927 5.668179971 NotRecorded, Tubulin 2 37 -1.890172956 COc1cc(cc(OC)c1OC)C(=O)c2ccc3[nH]ccc3c2
388231 5.362333545 8 5.358168594 5.972722098 NotRecorded 1 8 0.614553504 [O-][N+](=O)c1ccc2C3=C(N(CCCN=[N+]=[N-])C(=O)c2c1)c4ccc(I)cc4C3=O
388240 7.610763854 9 5.730465992 6.404832837 NotRecorded 1 9 0.674366845 NCCCN1C(=O)c2cc(ccc2C3=C1c4ccc(F)cc4C3=O)[N+](=O)[O-]
388255 4 7 4.933566169 5.975692857 NotRecorded 1 7 1.042126688 COC(=O)c1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4C(=O)N3CCCCl
388260 4.300162274 8 4.921842676 5.940383929 NotRecorded 1 8 1.018541253 COc1cc2C(=O)N(CCCN=[N+]=[N-])C3=C(C(=O)c4cc(NC(=O)C)ccc34)c2cc1OC
388267 8 6 6.181869379 6.402888393 NotRecorded 1 6 0.221019014 COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN5CCOCC5)[N+](=O)[O-]
388310 7.962371251 8 6.998594219 6.823741071 NotRecorded 1 8 -0.174853147 COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCn5ccnc5)[N+](=O)[O-]
389478 5.500122054 7 4.322492979 4.025857143 NotRecorded 1 7 -0.296635836 Cc1n[nH]c2NC3=C(C(c4ccc(Br)cc4)c12)C(=O)OC3
393442 7.307332767 10 6.761366804 8.291496302 NotRecorded 1 10 1.530129498 CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1OC(=O)CCC(=O)O[C@H]([C@@H](NC(=O)c2ccccc2)c3ccccc3)C(=O)O[C@H]4C[C@@]5(O)[C@@H](OC(=O)c6ccccc6)[C@@H]7[C@@]8(CO[C@@H]8C[C@H](O)[C@@]7(C)C(=O)[C@H](OC(=O)C)C(=C4C)C5(C)C)OC(=O)C
393895 6.869062429 21 7.905652441 5.262473668 NotRecorded 1 21 -2.643178773 COc1ccc2c3CN4CCCC4Cc3c5cc(OC)c(OC)cc5c2c1
397074 3.260722646 470 4.739010829 6.989875 Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Nuclear factor erythroid 2-related factor 2, Peroxisome proliferator-activated receptor delta, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Thromboxane-A synthase, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor 107 470 2.250864171 CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C5NC6(CCN(CC(C)C)CC6)N=C5c4c3C2=O)NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C
408928 4 6 5.733922391 6.27334375 NotRecorded 1 6 0.539421359 O=C(OC[C@H]1O[C@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)c4ccccc4)[C@@H]5O[C@]5(COC(=O)c6ccccc6)[C@@H]23)[C@H](OC(=O)c7ccccc7)[C@@H](OC(=O)c8ccccc8)[C@@H]1OC(=O)c9ccccc9)c%10ccccc%10
411428 6.682207031 5 4.05578065 6.12605886 NotRecorded 1 5 2.07027821 COc1cc(SC)ccc1C2CC(=NCCS2)C3=C(O)C=C(C)OC3=O
411430 6.349426516 4 4.46048048 7.030485034 NotRecorded 1 4 2.570004554 COc1cc(ccc1C2CC(=NCCS2)C3=C(O)C=C(C)OC3=O)N(C)C
411431 6.227038489 4 5.098409287 7.441278125 NotRecorded 1 4 2.342868838 COc1ccc(cc1OC)C2CC(=NCCS2)C3=C(O)C=C(C)OC3=O
415836 5.297350095 14 5.837469688 6.791841661 NotRecorded, Proto-oncogene c-JUN 2 14 0.954371973 COc1cc2c3CN4CCC[C@H]4[C@H](O)c3c5cc(OC)c(OC)cc5c2cc1OC
418751 8.608806995 6 7.016816172 6.35709375 NotRecorded 1 6 -0.659722422 COc1cc(cc(Br)c1OC)C2C(=C(N)Oc3c4CCN(C)c4ccc23)C#N
419508 4.474046205 593 4.314638489 7.398125 ATPase family AAA domain-containing protein 5, Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bile acid receptor FXR, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cellular tumor antigen p53, Cholecystokinin A receptor, Cruzipain, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, DNA topoisomerase II alpha, DNA topoisomerase II beta, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Geminin, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Isocitrate dehydrogenase [NADP] cytoplasmic, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Microtubule-associated protein tau, Monoamine oxidase A, Monoamine oxidase B, Mothers against decapentaplegic homolog 3, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Niemann-Pick C1 protein, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Nuclear factor NF-kappa-B p105 subunit, Nuclear factor erythroid 2-related factor 2, Nuclear receptor ROR-gamma, Peripheral myelin protein 22, Peroxisome proliferator-activated receptor delta, Peroxisome proliferator-activated receptor gamma, Phosphodiesterase 5A, Platelet activating factor receptor, Prelamin-A/C, Progesterone receptor, Protein kinase C alpha, Proto-oncogene c-JUN, Ras-related protein Rab-9A, Receptor protein-tyrosine kinase erbB-2, Retinoid X receptor alpha, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Serum albumin, Sigma opioid receptor, Signal transducer and activator of transcription 1-alpha/beta, Signal transducer and activator of transcription 3, Sodium/potassium-transporting ATPase, Sodium/potassium-transporting ATPase alpha-1 chain, Solute carrier organic anion transporter family member 1A1, Solute carrier organic anion transporter family member 1B1, Solute carrier organic anion transporter family member 1B3, Solute carrier organic anion transporter family member 4C1, Thromboxane-A synthase, Thyroid hormone receptor beta-1, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor, Vitamin D receptor 138 593 3.083486511 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C
420059 5.031666667 6 5.858821031 6.027546131 NotRecorded 1 6 0.1687251 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc3ccccc3)NC(=O)CN(C)C(=O)[C@@H]4CCCN4C(=O)[C@@H](Cc5ccccc5)NC(=O)[C@H](CC(C)C)NC1=O
420126 6.887926379 8 6.419263247 6.788644531 NotRecorded 1 8 0.369381284 COC(=O)[C@@]12OC[C@@]34[C@@H](C[C@H]5C(=C(O)C(=O)C[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)C)OC(=O)[C@H](OC(=O)CC(C)C)[C@@H]24
420602 4.82625 8 4.450092234 6.5191875 NotRecorded 1 8 2.069095266 CC(=O)O[C@@]12CO[C@@H]1C[C@@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](O)C(=C(C(=O)C3=O)C5(C)C)C
420603 6.81 5 7.113566924 5.996357143 NotRecorded 1 5 -1.117209782 C\C=C(\C)/C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
420605 5.83 5 5.50154969 6.88235119 NotRecorded 1 5 1.380801501 C\C=C(\C)/C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@@H](O)[C@@]4(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
420606 5.88 5 4.948958333 7.273450893 NotRecorded 1 5 2.32449256 CCC(C)C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
421505 6.79 10 6.237811098 7.98676382 NotRecorded 1 10 1.748952722 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)\C=C\C[C@@H]6C[C@H]7[C@@H]8CCc9cc(O)ccc9[C@H]8CC[C@]7(C)[C@H]6O)[C@@H](NC(=O)c%10ccccc%10)c%11ccccc%11)C(=C1C5(C)C)C
421508 6.649218252 10 6.151725405 5.5931775 NotRecorded 1 10 -0.558547905 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)CCC(=O)O[C@@H]6C[C@]7(C)[C@@H](O)CC[C@H]7[C@@H]8CCc9cc(O)ccc9[C@@H]68)[C@@H](NC(=O)c%10ccccc%10)c%11ccccc%11)C(=C1C5(C)C)C
421510 5.865 4 5.584065132 7.78770526 NotRecorded 1 4 2.203640128 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@@H](OC(=O)\C=C\C[C@@H]6C[C@H]7[C@@H]8CCc9cc(O)ccc9[C@H]8CC[C@]7(C)[C@H]6O)[C@@H](NC(=O)c%10ccccc%10)c%11ccccc%11)C(=C1C5(C)C)C
422521 5.780308047 9 5.364289132 6.122042163 Heat shock protein HSP 90-beta, NotRecorded 2 9 0.75775303 CO[C@H]1CC\C=C\C(=O)Nc2cc(O)cc(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(/C)\[C@@H]1OC(=O)N)c2
424979 8.134404341 7 7.569270435 6.66546875 NotRecorded 1 7 -0.903801685 CO[C@H]1c2nc3C[C@@H]4CC[C@@H]5[C@H](C[C@@H](O)[C@@]6(C)C5=C[C@@H]7O[C@]8(O[C@](C)(CO)C[C@H]8O)[C@@H](C)[C@]67O)[C@@]4(C)Cc3nc2C[C@@H]9CC[C@@H]%10[C@H](CC(=O)[C@]%11%12CO[C@]%13(OC(C)(C)C[C@H]%13O)[C@H](C)[C@H]%11CC=C%10%12)[C@@]19C
424985 6.380719686 4 4.428632168 8.004078125 NotRecorded, Ornithine decarboxylase 2 4 3.575445957 COc1cc(cc(OC)c1OC)[C@@H]2[C@H]3[C@H](COC3=O)Cc4cc5OCOc5cc24
425245 7.179089979 6 6.804354387 7.22321875 NotRecorded 1 6 0.418864363 CC[C@H](C)[C@@H]1OC(=O)C(C)C(CC)NC(=O)[C@H](C)NC(=O)C(C)(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)CNC1=O
430507 5.98298777 10 5.400224591 6.493021131 NotRecorded 1 10 1.092796539 CCCN(CCCCNc1c2ccc(Cl)cc2nc3ccc(OC)cc13)CCCNc4c5ccc(Cl)cc5nc6ccc(OC)cc46
435230 6.574782168 5 6.121862788 5.898877976 NotRecorded 1 5 -0.222984812 COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCNC(=O)c4cc(NC(=O)c5cc(NC(=O)c6cc(NC(=O)CCCOc7cc8N=C[C@@H]9CCCN9C(=O)c8cc7OC)cn6C)cn5C)cn4C
436978 8.42912982 7 8.235237107 7.814658163 NotRecorded 1 7 -0.420578943 COc1ccc2c3CN4CCCCC4Cc3c5cc(OC)c(OC)cc5c2c1
437562 7.668899119 16 7.654052338 6.800988095 NotRecorded 1 16 -0.853064243 COc1ccc(C[C@@H]2N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]3Cc4ccc(O)c(Oc5ccc(C[C@H](N(C)C(=O)[C@H](C)NC2=O)C(=O)N3C)cc5)c4)cc1
438440 6.079818108 8 3.766022757 4.458126674 NotRecorded 1 8 0.692103917 CSCC[C@H](N)C(=O)NCCNc1ccc(NCCNC(=O)[C@@H](N)CCSC)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
439095 5.069236916 7 5.229664175 5.98254375 NotRecorded 1 7 0.752879575 CC(C)(C)OC[C@H](N)C(=O)NCCNc1ccc(NCCNC(=O)[C@@H](N)COC(C)(C)C)c2C(=O)c3ccccc3C(=O)c12
441106 7.48 4 6.701670659 8.096322057 NotRecorded 1 4 1.394651398 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1csc(n1)c2ccccc2)[C@@H](C)O)B(O)O
441205 7.815 4 6.968558678 8.045089048 NotRecorded 1 4 1.07653037 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(ccn1)c2ccccc2)[C@@H](C)O)B(O)O
441257 7.815 4 6.950001675 7.765773741 NotRecorded 1 4 0.815772067 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(cc1)c2ccccc2)[C@@H](C)O)B(O)O
441258 7.81 4 6.833728849 7.765773741 NotRecorded 1 4 0.932044893 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(c1)c2ccccc2)[C@@H](C)O)B(O)O
441263 7.3075 4 6.789953321 7.81700675 NotRecorded 1 4 1.02705343 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@@H](C)O)B(O)O
441287 7.195 4 5.630535576 6.97324442 NotRecorded 1 4 1.342708844 C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)\C=C\C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C
441305 7.7375 4 7.031760942 8.045089048 NotRecorded 1 4 1.013328106 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc2ccccc2c1)[C@@H](C)O)B(O)O
441309 6.978333333 6 6.307013777 7.349319373 NotRecorded 1 6 1.042305597 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)[C@@H](C)O)B(O)O
441334 6.6625 4 4.86581027 7.779404018 NotRecorded 1 4 2.913593748 C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)CCC(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C
441868 7.6925 4 6.878320494 8.045089048 NotRecorded 1 4 1.166768554 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cncc(n1)c2ccccc2)[C@@H](C)O)B(O)O
441871 7.77 4 6.968558678 8.045089048 NotRecorded 1 4 1.07653037 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cnc(cn1)c2ccccc2)[C@@H](C)O)B(O)O
442649 4.462682311 9 5.699187275 6.561097925 NotRecorded 1 9 0.86191065 COc1ccc(\C=C\c2cc(OC)c(OC)c(OC)c2)c(O)c1O
442806 2 4 2 7.106223214 NotRecorded 1 4 5.106223214 C[C@H]1C(=O)O[C@H]2[C@@H](Cl)C(=C)[C@H]3C[C@@H](OC(=O)C)[C@@]4(C)[C@H](CC[C@]5(CO5)[C@@H]4[C@@H](OC(=O)C)[C@]12O3)OC(=O)C
443410 6.273284982 10 5.81998783 5.575795089 NotRecorded 1 10 -0.244192741 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H]5O[C@@H]6O[C@H](CO)C[C@@H](O)[C@]6(O)O[C@@H]5C[C@]34CO)[C@@]1(O)CC[C@@H]2C7=CC(=O)OC7
443711 6.052662776 4 4.319587578 5.6701625 NotRecorded 1 4 1.350574922 C[C@H]1[C@H](CCCC(C)(Cl)Cl)OC(=O)c2csc(n2)[C@@H](O)C(C)(C)OC(=O)c3csc(n3)[C@@H](OC1=O)C(C)(C)O
443961 6.572040223 12 6.470518477 7.071 NotRecorded 1 12 0.600481523 CC(=O)O[C@@]12CO[C@@H]1C[C@@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](O)C3=O)C5(C)C)C
444315 4.951076816 41 4.947968508 6.094227461 4′-phosphopantetheinyl transferase ffp, ATPase family AAA domain-containing protein 5, Beta-lactamase AmpC, Cruzipain, DNA damage-inducible transcript 3 protein, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Huntingtin, Muscleblind-like protein 1, Neuropeptide S receptor, NotRecorded, Nuclear receptor ROR-gamma, Prelamin-A/C, Survival motor neuron protein, X-box-binding protein 1 15 41 1.146258952 C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]23C[C@]12CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)C)C(C)(C)[C@@H]5C[C@@H](O[C@@H]6O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]6O)[C@@]34C
444914 6.469351367 26 6.698281047 6.174271715 NotRecorded 1 26 -0.524009332 O[C@H]1C=C2[C@@H](NC(=O)c3cc4OCOc4cc23)[C@H](O)[C@@H]1O
445010 4.318511545 4 5.228738544 7.875875 NotRecorded 1 4 2.647136456 C[C@H](C[C@H](O)\C=C(/C)\C(=O)O)[C@@]1(C)C[C@H]2O[C@]23[C@]1(C)CCC(=O)[C@@]34CC[C@H]5C(C)(C)[C@H](O)CC[C@]45C
445577 6.450302241 6 4.78735304 7.635375 NotRecorded 1 6 2.84802196 COC(=O)[C@]12OC[C@@]34[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)C)OC(=O)[C@H](OC(=O)\C=C(/C)\C(C)C)[C@@H]24
445578 5.892006529 6 5.728383787 7.742625 NotRecorded 1 6 2.014241213 COC(=O)[C@]12OC[C@@]34[C@@H](C[C@H]5[C@H](C)CC(=O)[C@@H](O)[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)OC(=O)[C@H](OC(=O)\C=C(/C)\C(C)C)[C@@H]24
445579 6.193086937 6 4.80991202 7.6685 NotRecorded 1 6 2.85858798 COC(=O)[C@]12OC[C@@]34[C@@H](C[C@H]5[C@H](C)C=C(O)C(=O)[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)OC(=O)[C@H](OC(=O)\C=C(/C)\C(C)C)[C@@H]24
448346 5.76875 8 5.103227402 7.044589844 NotRecorded 1 8 1.941362442 CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c6CN(Cc7ccc(OC)cc7)COc6ccc5nc34)C2=O
448347 6.16875 8 4.646291878 5.979133789 NotRecorded 1 8 1.332841911 CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c6CN(COc6ccc5nc34)c7ccccc7C)C2=O
448415 6.0725 8 4.103823336 6.542220982 NotRecorded 1 8 2.438397646 CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c6CN(COc6ccc5nc34)c7ccccc7OC)C2=O
448416 6.13875 8 4.281531594 6.127544643 NotRecorded 1 8 1.846013049 CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c6CN(COc6ccc5nc34)c7ccc(OC)cc7)C2=O
448588 6.095714286 7 5.843877539 6.683957143 NotRecorded 1 7 0.840079604 CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c6CN(COc6ccc5nc34)c7ccc(F)c(F)c7F)C2=O
450664 5.082222222 9 5.821427151 6.308177083 NotRecorded 1 9 0.486749932 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NS(=O)(=O)C(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
454065 5.057142857 7 4.655255225 6.296114583 NotRecorded 1 7 1.640859359 CCOC(=O)c1cc2cc(OC)c(OC)cc2c3cnc4cc5OCOc5cc4c13
454129 6.302857143 7 5.536921792 6.286307292 NotRecorded 1 7 0.749385499 COc1cc2cc(CC[N+](=O)[O-])c3c(cnc4cc5OCOc5cc34)c2cc1OC
455580 6.457092926 7 4.918081648 7.624237883 NotRecorded 1 7 2.706156235 O[C@@H]1[C@@H](OC(=O)c2ccccc2)C=C3[C@@H](NC(=O)c4c(OC(=O)c5ccccc5)c6OCOc6cc34)[C@@H]1O
455811 4.255282917 8 5.83627885 6.833651786 NotRecorded 1 8 0.997372936 CC(=O)O[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C(=C)[C@H]3C[C@@]4(CC(=O)C(=C4[C@@H](OC(=O)c5ccccc5)[C@H](OC(=O)C)[C@]13C)C)C(C)(C)O
455813 3.610663075 8 5.153123174 6.769245536 NotRecorded 1 8 1.616122361 CC(=O)O[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C(=C)[C@H]3C[C@@]4(C[C@H](O)C(=C4[C@@H](OC(=O)c5ccccc5)[C@H](OC(=O)C)[C@]13C)C)C(C)(C)O
455814 3.596740011 8 5.277706508 6.769245536 NotRecorded 1 8 1.491539028 CC(=O)O[C@H]1C[C@H](O)C(=C)[C@H]2C[C@@]3(C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(=C3[C@@H](OC(=O)c5ccccc5)[C@H](OC(=O)C)[C@]12C)C)C(C)(C)O
461497 6.869043676 4 7.119037189 6.864855283 NotRecorded 1 4 -0.254181906 CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
461658 7.084504292 9 5.761945248 6.578402778 NotRecorded 1 9 0.81645753 CC[C@](C)(OC(=O)C)C(=O)O[C@@H]1[C@H]2[C@]3(C)OC[C@]24[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@H]4[C@@H](O)[C@@H]3O)C)OC1=O
461694 4.166713249 13 4.73277074 4.887028846 NotRecorded 1 13 0.154258106 CC(=O)O[C@H]1C=C2[C@@H](NC(=O)c3cc4OCOc4cc23)[C@H](OC(=O)C)[C@@H]1OC(=O)C
461696 5.683664357 7 5.394860048 5.139991071 NotRecorded 1 7 -0.254868976 CC(=O)O[C@H]1C[C@H]2[C@@H](NC(=O)c3cc4OCOc4cc23)[C@H](OC(=O)C)[C@@H]1OC(=O)C
462262 5.64302833 7 5.991435275 8.156808036 NotRecorded 1 7 2.165372761 COc1ccc(cc1)[C@@]23Oc4cc5OCOc5c(OC)c4[C@]2(O)[C@H](O)[C@@H]([C@H]3c6ccccc6)C(=O)N(C)C
462523 5.4 5 5.669913727 6.794581355 NotRecorded 1 5 1.124667629 CCC(C)C(=O)O[C@H]1[C@H](OC(=O)\C=C\c2ccccc2)C(C)(C)C[C@H]3C4=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(=O)O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)[C@@H](O)[C@@H](O)[C@@]13CO
462524 5.278 5 3.867869219 6.215733385 NotRecorded 1 5 2.347864166 CC(=CCC\C(=C/C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H](OC(=O)C)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@@]12CO)\C)C
462527 5.294 5 5.908030684 6.794388802 NotRecorded 1 5 0.886358118 CCC(C)C(=O)O[C@H]1[C@H](OC(=O)\C=C(\C)/CCC=C(C)C)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@@]12CO
462528 5.144 5 5.975656185 6.618982552 NotRecorded 1 5 0.643326368 CCC(C)C(=O)O[C@H]1[C@H](OC(=O)\C=C(/C)\CCC=C(C)C)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@@]12CO
462538 5.598 5 5.298826183 7.737078799 NotRecorded 1 5 2.438252616 CCC(C)C(=O)O[C@H]1[C@H](OC(=O)\C=C\c2ccccc2)C(C)(C)C[C@H]3C4=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](CO)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)[C@@H](O)[C@@H](O)[C@@]13CO
462845 2.114375432 278 5.184187893 7.56065625 Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Matrix metalloproteinase-2, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Solute carrier organic anion transporter family member 1B1, Thromboxane-A synthase, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor 107 278 2.376468357 CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5[C@H]1C(=O)OC
463351 5.888333333 6 5.237903119 5.70282442 NotRecorded 1 6 0.4649213 C[C@@H](C\C(=C/[C@H](C)[C@@H](O)[C@@H](C)\C=C/[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)\C)[C@@H](O)[C@H](C)[C@@H](OC(=O)N)[C@@H](C)\C=C/C=C
463488 4.922378216 5 3.752116431 6.141196429 NotRecorded 1 5 2.389079998 CO[C@@H]1CO[C@@H](OCC[C@@H](CC[C@@H](C)[C@H]2[C@@H](O)[C@@H](O)[C@@H]3[C@]2(C)CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@H](O)[C@@H]5[C@@H](O)C[C@@]34O)C(C)C)[C@H](O)[C@H]1O
463490 4.870136291 5 5.849352486 6.823258929 NotRecorded 1 5 0.973906443 CO[C@@H]1CO[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H]2OCC[C@H](CC[C@@H](C)[C@H]3C[C@@H](O)[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)C(C)C)[C@H](OC)[C@H]1O
463491 4.850031993 5 5.000469841 6.823258929 NotRecorded 1 5 1.822789087 CO[C@@H]1CO[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H]2OCC[C@@H](\C=C\[C@@H](C)[C@H]3C[C@@H](O)[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)C(C)C)[C@H](OC)[C@H]1O
464012 5.961428571 7 6.368721749 7.0219375 NotRecorded 1 7 0.653215751 CC[C@@]12CC(=C3Nc4c(OC)c(OC)c(O)cc4[C@@]35CCN([C@H]6[C@H](Oc7cc8NC9=C(C[C@]%10(CC)[C@@H]%11O[C@@H]%11CN%12CC[C@]9([C@H]%10%12)c8cc67)C(=O)OC)[C@H]1O)[C@@H]25)C(=O)OC
464287 4.287111077 11 5.749046598 7.635267857 NotRecorded 1 11 1.886221259 CN1C=C(C=CC1=O)C(=O)O[C@@H]2[C@H]3[C@H](OC(=O)C)[C@H](OC(=O)c4ccccc4)[C@]5(C)[C@@H](OC(=O)C)[C@H](C[C@](C)(O)[C@@]25OC3(C)C)OC(=O)c6ccccc6
464290 3.834869914 11 4.323370885 5.544789529 NotRecorded 1 11 1.221418644 CC(=O)O[C@H]1CC[C@](C)(O)[C@]23OC(C)(C)[C@H]([C@H](OC(=O)C)[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3O
464339 6.4675 4 5.738378743 6.7970625 NotRecorded 1 4 1.058683757 C[C@H]1C\C=C\C(=C/C[C@H](OC(=O)C[C@H](O)C(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c2csc(C)n2)\C)\C
464340 6.075 4 4.385046026 7.45771875 NotRecorded 1 4 3.072672724 C[C@@H]1[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@@H](C\C=C(\C)/CCC1=O)\C(=C\c2csc(C)n2)\C
465015 4.582565006 8 4.486228314 6.015506836 NotRecorded 1 8 1.529278522 COc1cc(c2CC[C@H](Oc2c1O)c3cc(O)c(OC)c(OC)c3)c4cc(OC)c(O)c5O[C@@H](CCc45)c6cc(O)c(OC)c(OC)c6
465344 4.186929975 4 4.865392772 6.51340625 NotRecorded 1 4 1.648013478 C[C@H]1[C@H](C)c2ncccc2C(=O)OC[C@]3(C)O[C@]45C(OC(=O)C)C3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]4(COC(=O)C)[C@@H](OC(=O)c6ccccc6)[C@@H](OC(=O)C7=CN(C)C(=O)C=C7)C(OC1=O)[C@]5(C)O
465355 6.624455001 130 5.444662098 7.12409 Androgen Receptor, Geminin, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2, Nuclear receptor ROR-gamma, Paired box protein Pax-8, Rap guanine nucleotide exchange factor 4, Solute carrier organic anion transporter family member 1B3, Thyroid hormone receptor beta-1 11 130 1.679427902 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]5CC[C@@]6(C)[C@H](CC[C@@H]7[C@@H]6C[C@@H](O)[C@]8(C)[C@H](CC[C@]78O)C9=CC(=O)OC9)C5
465400 4.828104449 7 3.639178321 8.375089286 NotRecorded 1 7 4.735910965 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]56C[C@H](O)C(=C5[C@@]3(O)C(=O)OC6(C)C)C
465785 5.92249368 4 4.742950707 6.039912946 NotRecorded 1 4 1.296962239 CC(=O)O[C@H]1[C@H]2O[C@]23[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1C6=COC(=O)C=C6
467123 3.664813479 6 4.05102219 5.9909375 NotRecorded 1 6 1.93991531 C[C@H]([C@@H]1CC=C(C)C(=O)O1)[C@]2(O)CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)O[C@@H]6CC(=O)O[C@]56C[C@@]4(O)CC[C@]23C
467124 3.51851394 6 3.690744412 6.0064375 NotRecorded 1 6 2.315693088 C[C@H]([C@@H]1CC=C(C)C(=O)O1)[C@@H]2CC[C@]3(O)[C@@H]4CC[C@H]5C(C)(C)O[C@@H]6CC(=O)O[C@]56C[C@@]4(O)CC[C@]23C
467128 3.51851394 6 4.047737073 7.34659375 NotRecorded 1 6 3.298856677 C[C@H]([C@H](O)[C@@H]1C[C@H](C)C(=O)O1)C2=C3CC[C@]4(O)C[C@]56OC(=O)C[C@@]5(O)OC(C)(C)[C@@H]6CC[C@H]4[C@@]3(C)[C@H](C2)OC(=O)C
467129 3.51851394 6 5.073253688 8.42975 NotRecorded 1 6 3.356496312 C[C@H]([C@H](O)[C@H]1OC(=O)C(=C1)C)[C@]23CC[C@@]4(CO2)[C@@H]5CC[C@H]6C(C)(C)O[C@@H]7CC(=O)O[C@]67C[C@@]5(O)CC[C@]34C
467130 3.51851394 6 5.288817907 7.151638393 NotRecorded 1 6 1.862820486 CC1CC(OC1=O)[C@H]2O[C@]34CC[C@]5(O)C[C@]67OC(=O)C[C@H]6OC(C)(C)[C@@H]7C[C@@H](OC(=O)C)[C@H]5[C@@]3(C)[C@@H](O)C[C@@H]4[C@@H]2C
467131 3.51851394 6 5.288817907 6.537125 NotRecorded 1 6 1.248307093 CC1CC(OC1=O)[C@H]2O[C@]34CC[C@]5(O)C[C@]67OC(=O)C[C@H]6OC(C)(C)[C@@H]7C[C@@H](O)[C@H]5[C@@]3(C)[C@H](C[C@@H]4[C@@H]2C)OC(=O)C
467133 3.622998903 6 4.511797681 7.31996875 NotRecorded 1 6 2.808171069 C[C@H]([C@H]1CC=C(C)C(=O)O1)[C@H]2CC[C@@]3(C)CCC[C@H]4C(C)(C)O[C@@H]5CC(=O)O[C@]45CC(=O)[C@@H](C[C@]23C)OC(=O)C
467134 3.51851394 6 4.092471321 8.89834375 NotRecorded 1 6 4.805872429 C[C@@H]([C@@H](O)[C@@H]1OC(=O)C(=C1)C)[C@@H]2C[C@H]3O[C@]34[C@@H]5CC[C@@H]6C(C)(C)O[C@H]7CC(=O)O[C@@]67C[C@]5(O)CC[C@@]24C
476968 6.46 7 5.331324562 6.947767857 NotRecorded 1 7 1.616443295 COc1cc2c(CC[N+](=O)[O-])cc3c4cc5OCOc5cc4ncc3c2cc1OC
478078 5.018888889 9 5.00503131 7.224345139 NotRecorded 1 9 2.219313829 C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O
478082 7.005948878 6 3.805995057 7.274183036 NotRecorded 1 6 3.468187979 C[C@@H]1CC(=O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]6(C)[C@H](CC[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1
478083 7.282650752 6 5.791899389 6.594864583 NotRecorded 1 6 0.802965194 C[C@@H]1C[C@H](OC(=O)C)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]6(C)[C@H](CC[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1
478085 5.937374059 6 5.559387666 5.99828125 NotRecorded 1 6 0.438893584 C[C@@H]1C[C@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]6(C)[C@H]([C@@H](C[C@]56O)OC(=O)C)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1
481209 4.51851394 7 2.968457714 6.667915179 NotRecorded 1 7 3.699457465 CC[C@@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]3CCCN3C1=O
481224 6.487469426 4 5.552122122 6.113020536 NotRecorded 1 4 0.560898413 C\C=C/C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)CC[C@]3(C)[C@]1(C)[C@]24CO4
481433 5.541880052 8 5.485613122 5.986839286 NotRecorded 1 8 0.501226163 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc3ccccc3)NC(=O)CN(C)C(=O)[C@@H]4CCCN4C(=O)[C@@H](Cc5ccccc5)N(C)C(=O)[C@H](CC(C)C)NC1=O
482474 4.718164659 4 4.209287534 5.998316964 NotRecorded 1 4 1.78902943 CC(=O)O[C@H]1CC\C(=C/[C@@H]2OC(=O)[C@]3(C)O[C@@]23[C@@H](OC(=O)C)[C@H]4[C@@]5(C)O[C@H]5C[C@H](OC(=O)C)[C@]14C)\C
482632 4.845655152 4 4.086356918 6.24646875 NotRecorded 1 4 2.160111832 C[C@H]1[C@@H](O)C[C@H](OC(=O)C)[C@@]2(C)[C@H]1[C@]3(OC(=O)C)[C@@]2(O)[C@H](C\C(=C/[C@@H]4OC(=O)[C@@]5(C)O[C@]345)\C)OC(=O)C
482647 3.819543936 4 3.179800151 6.53915 NotRecorded 1 4 3.359349849 C[C@H]1[C@@H](OC(=O)C)[C@@H]2O[C@@H]2[C@@]3(C)[C@H]1[C@@]4(OC(=O)C)[C@]5(O)[C@@H](C)C(=O)O[C@H]5[C@@H](Cl)C(=C)[C@H]6O[C@H]6[C@@]34O
482648 4.349415536 4 4.359988339 6.9175625 NotRecorded 1 4 2.557574161 C[C@H]1[C@H](C[C@H](OC(=O)C)[C@@]2(C)[C@H]1[C@]3(O)[C@]2(CC\C(=C/[C@@H]4OC(=O)[C@@]5(C)O[C@]345)\C)OC(=O)C)OC(=O)C
482680 8.309795709 7 7.671839402 6.66546875 NotRecorded 1 7 -1.006370652 CO[C@H]1c2nc3C[C@@H]4CC[C@@H]5[C@H](CC(=O)[C@]67CO[C@@]8(OC(C)(C)C[C@H]8O)[C@@H](C)[C@H]6CC=C57)[C@@]4(C)Cc3nc2C[C@@H]9CC[C@@H]%10[C@H](C[C@@H](O)[C@@]%11(C)C%10=C[C@@H]%12O[C@]%13(O[C@](C)(CO)C[C@H]%13O)[C@@H](C)[C@]%11%12O)[C@@]19C
482681 7.966179289 7 7.372827076 6.66546875 NotRecorded 1 7 -0.707358326 CO[C@H]1c2nc3C[C@@H]4CC[C@@H]5[C@H](C[C@@H](O)[C@@]6(C)C5=C[C@@H]7O[C@]8(O[C@](C)(CO)C[C@H]8O)[C@@H](C)[C@]67O)[C@@]4(C)Cc3nc2C[C@@H]9CC[C@@H]%10[C@H](CC(=O)[C@]%11%12CO[C@@]%13(OC(C)(C)C[C@H]%13O)[C@@H](C)[C@H]%11CC=C%10%12)[C@@]19C
482717 6.012645591 22 5.591831868 8.331375 NotRecorded 1 22 2.739543132 COc1cc(cc(OC)c1OC)[C@H]2[C@H]3[C@H](COC3=O)Cc4cc5OCOc5cc24
482802 7.615423953 6 3.96066247 6.877875 NotRecorded 1 6 2.91721253 COc1cccc(c1)[C@@H]2CC(=O)c3cc(ccc3N2)N4CCCC4
482822 6.2067463 7 5.630528976 6.518240644 NotRecorded 1 7 0.887711668 COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[NH+]3C[C@@H]4C=C)c2c1.O[C@@H]5[C@@H](O)[C@@H](OP(=O)(O)[O-])[C@@H]6NC(=O)c7c(O)c8OCOc8cc7[C@H]6[C@H]5O
482823 6.077955953 7 5.535467311 6.227034953 NotRecorded 1 7 0.691567642 COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.O[C@@H]5[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H]6NC(=O)c7c(O)c8OCOc8cc7[C@H]6[C@H]5O
482847 5.09386516 6 5.192724996 5.870357143 NotRecorded 1 6 0.677632147 CC1(C)CC[C@H](O)[C@]2(C)[C@@H]1C[C@@H](O)[C@@]34[C@H](O)[C@@H]([C@@H](O)C[C@@H]23)C(=C)C4=O
482924 5.865 4 5.584065132 7.78770526 NotRecorded 1 4 2.203640128 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C)OC(=O)\C=C\C[C@@H]8C[C@H]9[C@@H]%10CCc%11cc(O)ccc%11[C@H]%10CC[C@]9(C)[C@H]8O
482926 6.6 4 6.182133467 8.146886094 NotRecorded 1 4 1.964752627 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](OC(=O)CCC(=O)O[C@@H]8C[C@]9(C)[C@@H](O)CC[C@H]9[C@@H]%10CCc%11cc(O)ccc%11[C@@H]8%10)C3=O)C5(C)C)C
483157 5.773143174 12 5.406685765 6.913262202 NotRecorded 1 12 1.506576437 C[C@H]1O[C@H](C[C@H](O)[C@H]1O)O[C@H]2CC[C@]3(C=O)[C@H]4[C@H](O)C[C@]5(C)[C@@H](CC[C@]5(O)[C@@H]4C=C[C@]3(O)C2)C6=CC(=O)OC6
483286 5.731915446 6 6.42628598 6.51340625 NotRecorded 1 6 0.08712027 C[C@@H]1[C@H](C)C(=O)O[C@H]2[C@H](OC(=O)C3=CN(C)C(=O)C=C3)[C@H](OC(=O)c4ccccc4)[C@@]5(COC(=O)C)[C@H](OC(=O)C)[C@@H](O)[C@@H]6[C@@H](OC(=O)C)[C@]5(O[C@@]6(C)COC(=O)c7cccnc17)[C@]2(C)O
483287 4.51851394 6 4.862397091 6.47553125 NotRecorded 1 6 1.613134159 C\C=C(/C)\C(=O)O[C@H]1[C@@H](OC(=O)C2=CN(C)C(=O)C=C2)[C@@H]3OC(=O)[C@@H](C)[C@@H](C)c4ncccc4C(=O)OC[C@]5(C)O[C@@]6([C@H](OC(=O)C)[C@H]5[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]16COC(=O)C)[C@]3(C)O
483849 7.258 5 5.023590359 7.061604464 NotRecorded 1 5 2.038014105 COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3C(=O)OCC3=Cc4cc5OCOc5cc24
484812 6.813660686 5 6.321740478 7.643680215 NotRecorded 1 5 1.321939737 [Na+].CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)CCC(=O)NCCCS(=O)(=O)[O-])[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
484813 6.682145222 5 6.564459411 6.955575893 NotRecorded 1 5 0.391116482 [Na+].CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)CCS(=O)(=O)[O-])[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
485356 7.138816162 4 4.550321054 7.178515625 NotRecorded 1 4 2.628194571 CC[C@](O)(CC(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@@]3(O)OC[C@]24[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]34)C)OC1=O)C(C)C
485360 6.505977185 4 5.331509112 6.287140625 NotRecorded 1 4 0.955631513 CC(C)C(CC(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@@]3(O)OC[C@]24[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]34)C)OC1=O)C(C)C
485362 6.126994196 4 3.678943464 6.384678125 NotRecorded 1 4 2.705734661 CCC(CC)(CO)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@@]3(O)OC[C@]24[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]34)C)OC1=O
486004 8.1675 8 7.90081149 7.299357143 NotRecorded 1 8 -0.601454347 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C6CCC6)C=C(C)C)C(=C1C5(C)C)C
486005 8.325 8 7.904618436 7.2784375 NotRecorded 1 8 -0.626180936 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C6CCCC6)C=C(C)C)C(=C1C5(C)C)C
486006 7.8925 8 7.690830484 7.2784375 NotRecorded 1 8 -0.412392984 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)C6CCCC6)C(=C1C5(C)C)C
486007 8.38 8 7.356434673 6.8820625 NotRecorded 1 8 -0.474372173 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C6CCCCC6)C=C(C)C)C(=C1C5(C)C)C
486008 8.0675 8 7.305262761 6.79515625 NotRecorded 1 8 -0.510106511 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)C6CCCCC6)C(=C1C5(C)C)C
486009 8.5975 8 7.776340658 7.4004375 NotRecorded 1 8 -0.375903158 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C6=CCCC6)C=C(C)C)C(=C1C5(C)C)C
486010 8.705 8 7.356434673 7.273 NotRecorded 1 8 -0.083434673 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C6=CCCCC6)C=C(C)C)C(=C1C5(C)C)C
486011 8.4675 8 7.814812052 5.97 NotRecorded 1 8 -1.844812052 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC6CCCC6)C=C(C)C)C(=C1C5(C)C)C
486012 8.3475 8 7.736541961 5.97 NotRecorded 1 8 -1.766541961 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC6CCCC6)C(=C1C5(C)C)C
486016 8.99 4 8.087267568 5.9754375 NotRecorded 1 4 -2.111830068 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(C)C)C(=C1C5(C)C)C
486025 9.19 8 7.649609403 5.987107143 NotRecorded 1 8 -1.66250226 COc1ccc(CC(=O)O[C@H]2C(=O)[C@]3(C)[C@@H](O)C[C@H]4OC[C@@]4(OC(=O)C)[C@H]3[C@H](OC(=O)c5cccc(OC)c5)[C@]6(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(C)C)C(=C2C6(C)C)C)cc1
486027 8.655 4 8.388139835 5.909 NotRecorded 1 4 -2.479139835 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)\C=C\C)C(=C1C5(C)C)C
486028 8.5325 8 8.685227499 5.99128125 NotRecorded 1 8 -2.693946249 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CCC=C)NC(=O)OC(C)(C)C)C(=C1C5(C)C)C
486030 9.01 4 8.019949113 5.9754375 NotRecorded 1 4 -2.044511613 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=C1C5(C)C)C
486035 8.445 8 8.210717343 5.909 NotRecorded 1 8 -2.301717343 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C6CCC6)C=C(C)C)C(=C1C5(C)C)C
486039 8.61 8 8.327586141 5.996357143 NotRecorded 1 8 -2.331228998 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)C6CC6)C(=C1C5(C)C)C
487592 4.625 8 4.052161737 6.44453125 NotRecorded 1 8 2.392369513 CC(=O)O[C@H]1[C@H](OC(=O)C)[C@@]23C[C@@H](C[C@H](O)[C@H]2[C@]4(C)[C@H](C[C@H](O)C(C)(C)[C@@H]14)OC(=O)C)C(=C)[C@H]3O
487696 4.625 8 4.684851999 6.514979353 NotRecorded 1 8 1.830127353 CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@@H](O)C(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(=O)C)[C@@]4(C)[C@H]13)[C@H](OC(=O)C)C2=C
487840 4.757289999 14 4.773700423 6.485242666 NotRecorded 1 14 1.711542243 CC(=O)O[C@H]1C[C@@H]2C[C@]3([C@H](O)C2=C)[C@@H](OC(=O)C)C(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(=O)C)[C@@]4(C)[C@H]13
490427 5.836855371 285 4.940289591 6.0115 ATPase family AAA domain-containing protein 5, Acetylcholinesterase, Ataxin-2, Bromodomain adjacent to zinc finger domain protein 2B, Cholinesterase, Geminin, Histone acetyltransferase GCN5, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Hypoxia-inducible factor 1 alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Lysosomal alpha-glucosidase, Microtubule-associated protein tau, Mothers against decapentaplegic homolog 3, Niemann-Pick C1 protein, NotRecorded, Nuclear factor erythroid 2-related factor 2, Nuclear receptor ROR-gamma, Nuclear receptor subfamily 0 group B member 1, Prelamin-A/C, Ras-related protein Rab-9A 20 285 1.071210409 CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.OS(=O)(=O)O
492384 5.585714286 7 5.753207097 5.107349702 NotRecorded 1 7 -0.645857394 COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](c4cc5OCOc5cc24)n6cc(CNc7cccc(Cl)c7)nn6
493099 6.774603449 70 4.308864819 9.658875 Androgen Receptor, NotRecorded 2 70 5.350010181 COc1cc2c(CCN[C@]23CS[C@H]4[C@H]5[C@@H]6N(C)[C@@H](Cc7cc(C)c(OC)c(O)c67)[C@H](O)N5[C@@H](COC3=O)c8c9OCOc9c(C)c(OC(=O)C)c48)cc1O
494498 9.669505778 7 9.016520528 6.317502976 NotRecorded 1 7 -2.699017551 CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)O)Cc3ccccc3)C(C)C
497687 7.144554803 12 7.02542378 7.650928571 NotRecorded 1 12 0.625504791 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)CF)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
497688 8.084614985 10 7.157910577 7.650928571 NotRecorded 1 10 0.493017994 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C(F)F)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
497689 7.981284162 10 7.148549837 7.650928571 NotRecorded 1 10 0.502378735 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
497690 7.408977222 9 7.0333596 7.650928571 NotRecorded 1 9 0.617568972 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)CF)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
497691 7.772646885 10 7.040030193 7.650928571 NotRecorded 1 10 0.610898378 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C(F)F)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
497692 8.366400228 8 7.647488344 6.0974375 NotRecorded 1 8 -1.550050844 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
498947 4.430109146 4 4.061440986 8.23188244 NotRecorded 1 4 4.170441454 COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](N[C@@H](Cc4ccc(O)cc4)C(=O)OCCCN5C=C(F)C(=O)NC5=O)c6cc7OCOc7cc26
498949 5.6425 4 5.952563996 7.66965625 NotRecorded 1 4 1.717092254 COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](N[C@@H](Cc4ccccc4)C(=O)OCCCCN5C=C(F)C(=O)NC5=O)c6cc7OCOc7cc26
498951 5.938 5 6.216595412 6.67053125 NotRecorded 1 5 0.453935838 COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](N[C@@H](Cc4ccccc4)C(=O)OCCCCCN5C=C(F)C(=O)NC5=O)c6cc7OCOc7cc26
500038 3.874444444 9 6.416649853 7.512921024 Gamma-secretase, NotRecorded, Proteasome Macropain subunit MB1 3 9 1.096271171 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2)B(O)O
502390 5.538463228 9 5.241254642 6.51340625 NotRecorded 1 9 1.272151608 CC1c2ccncc2C(=O)OC[C@]3(C)O[C@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]4(COC(=O)c6occc6)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C1(C)O)[C@]5(C)O
502406 5.207405576 10 6.109226047 6.51340625 NotRecorded 1 10 0.404180203 CC(=O)OC[C@]12[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]3[C@@H](OC(=O)C)[C@@]14O[C@@]3(C)COC(=O)c5cccnc5CCC(C)(O)C(=O)O[C@@H]([C@H](OC(=O)c6occc6)[C@@H]2OC(=O)C)[C@]4(C)O
502754 6.056632728 6 4.333399036 6.007134465 NotRecorded 1 6 1.673735429 CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6[C@@H](O)C[C@H](C)N6C(=O)[C@H](NC5=O)C(C)C)c4N=C23)C)[C@@H](CO)OC(=O)[C@H](C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O
502755 6.290104007 6 4.659371011 6.57419528 NotRecorded 1 6 1.914824269 CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6[C@@H](O)C[C@H](C)N6C(=O)[C@H](NC5=O)C(C)C)c4N=C23)C)[C@@H](C)OC(=O)[C@H](C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O
502773 6.026499598 7 6.133493973 9.363357143 NotRecorded 1 7 3.22986317 C[C@@H]1C[C@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]6(C)[C@H](C[C@@H](O)[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1
503192 6.1175 4 5.302818107 7.8430625 NotRecorded 1 4 2.540244393 COc1cc2c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3O)c5COC(=O)c5c(c6ccc7OCOc7c6)c2cc1OC
503195 6.3825 4 5.503941686 7.8608125 NotRecorded 1 4 2.356870814 COc1cc2c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)c5COC(=O)c5c(c6ccc7OCOc7c6)c2cc1OC
503270 5.142451121 5 4.583701389 6.247946429 NotRecorded 1 5 1.66424504 C[C@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@@H]6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H](CO)[C@H](O)[C@H](O)[C@H]8O
503271 5.109153384 5 4.685571337 6.047080357 NotRecorded 1 5 1.361509021 C[C@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@@H]6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@@]3(O)[C@@H]2C)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H](CO)[C@H](O)[C@H](O)[C@H]8O
504138 4.593511174 4 4.253336447 6.239997768 NotRecorded 1 4 1.986661321 C[C@H]1C(=O)O[C@H]2\C=C(\C)/CC[C@@H](OC(=O)C)[C@@]3(C)[C@H](CC=C(C)[C@@H]3[C@@H](O)[C@]12O)OC(=O)C
504140 5.315772026 4 5.01375586 6.601294196 NotRecorded 1 4 1.587538336 CC(=O)O[C@H]1CC=C(C)[C@@H]2[C@@H](O)[C@]34O[C@]3(C)C(=O)O[C@H]4\C=C(\C)/CC[C@@H](OC(=O)C)[C@@]12C
504141 4.512044169 4 4.832240039 6.425299107 NotRecorded 1 4 1.593059068 CC(=O)O[C@H]1C[C@@H]2O[C@]2(C)[C@@H]3[C@@H](O)[C@]45O[C@]4(C)C(=O)O[C@H]5\C=C(\C)/CC[C@@H](OC(=O)C)[C@@]13C
504155 4.56026268 4 3.979912534 5.998316964 NotRecorded 1 4 2.01840443 CC(=O)O[C@@H]1CC\C(=C/[C@@H]2OC(=O)[C@@]3(C)O[C@]23[C@H](OC(=O)C)[C@H]4[C@@]5(C)O[C@H]5C[C@H](OC(=O)C)[C@]14C)\C
504612 6.197960407 4 5.93812012 9.363357143 NotRecorded 1 4 3.425237023 C[C@@H]1C[C@@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]6(C)[C@H](C[C@@H](O)[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1
504615 5.976418993 6 5.576441509 6.235895833 NotRecorded 1 6 0.659454324 C[C@@H]1C[C@H](OC(=O)C)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]6(C)[C@H]([C@H](O)C[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1
505076 7.8925 4 7.283256562 6.42990625 NotRecorded 1 4 -0.853350312 CC[C@H](C)[C@@H]1NC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)\C(=C\C[C@H](O)[C@H](C)[C@H](OC(=O)[C@H](C)NC1=O)\C(=C\C)\C)\C
505339 4.371470068 12 4.663289806 8.331375 NotRecorded 1 12 3.668085194 COc1cc(cc(OC)c1OC)[C@H]2[C@H]3[C@@H](COC3=O)Cc4cc5OCOc5cc24
509913 5.113564593 4 7.594034686 6.8949375 NotRecorded 1 4 -0.699097186 CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c5cc(OC)ccc45)[C@](O)([C@@H]2OC(=O)CCC(=O)N[C@H]6CCc7cc(OC)c(OC)c(OC)c7C8=CC=C(SC)C(=O)C=C68)C(=O)OC
517638 6.912857143 7 5.523968853 7.892284694 Heat shock protein HSP 90-alpha, NotRecorded 2 7 2.368315841 CO[C@H]1CC\C=C(/C)\C(=O)Nc2cccc(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(/C)\[C@@H]1OC(=O)N)c2
517639 6.535714286 7 5.065399022 6.291030612 Heat shock protein HSP 90-alpha, NotRecorded 2 7 1.22563159 CO[C@H]1C[C@H](C)Cc2cc(NC(=O)\C(=C\CC[C@H](OC)[C@@H](OC(=O)N)\C(=C\[C@H](C)[C@H]1O)\C)\C)ccc2O
517866 7.082857143 7 5.065399022 6.593556122 Heat shock protein HSP 90-alpha, NotRecorded 2 7 1.5281571 CO[C@H]1C[C@H](C)Cc2cc(NC(=O)\C(=C\C=C/[C@H](OC)[C@@H](OC(=O)N)\C(=C\[C@H](C)[C@H]1O)\C)\C)ccc2O
520489 5.989411431 7 6.419630957 7.113991494 NotRecorded 1 7 0.694360536 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)Cc3cccc4ccccc34)C(C)C)B(O)O)cc1
522225 7.580909091 11 6.081437457 7.829690688 NotRecorded 1 11 1.748253231 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]2CCCc3ccccc23)B(O)O
522226 7.690909091 11 6.627783676 7.717069593 NotRecorded 1 11 1.089285917 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cccc3CCCCc23)B(O)O
525410 5.868358938 4 3.888106797 6.094649554 NotRecorded 1 4 2.206542757 CCC1=C[C@@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC.OS(=O)(=O)O
529335 5.4510693 5 5.647349079 6.175561607 NotRecorded 1 5 0.528212528 COC(=O)C(=C(C)C)N1[C@H](SS[C@@H]2[C@H](NC(=O)OCc3ccccc3)C(=O)N2C(=C(C)C)C(=O)OC)[C@H](NC(=O)OCc4ccccc4)C1=O
545988 7.8 8 5.624898908 6.753830469 NotRecorded 1 8 1.12893156 Br.Br.CN(C)CCNc1ccc2C(=O)N(CCN(C)C)C(=O)N3c4ccc(O)cc4C(=O)c1c23
548033 6.188135401 6 3.726687711 7.43690625 NotRecorded 1 6 3.710218539 Cl.CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(N)CC(C)C)c5ccccc5nc34)C2=O
552970 6.01 15 2 7.25 Tubulin 1 15 5.25 Cl.COc1cc2CCC(OC(=O)c3ccncc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC
553389 4.293174973 9 4.825669518 6.017792659 DNA topoisomerase II alpha, NotRecorded 2 9 1.192123141 Cl.N[C@H]1CCN(C1)c2c(F)cc3C(=O)C(=CN4c3c2Oc5cc(c6ccccc6c45)S(=O)(=O)O)C(=O)O
554449 7.346666667 6 8.742629625 5.909 NotRecorded 1 6 -2.833629625 COc1cccc(c1)C(=O)O[C@H]2[C@@H](\C(=C(\O)/C(=O)C3=C(C)[C@H](C[C@]2(O)C3(C)C)OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)\C)[C@@]4(CO[C@@H]4CCO)OC(=O)C
554541 5.897231982 40 3.841510418 5.044415692 NotRecorded 1 40 1.202905274 CC(C)[C@]12O[C@H]1[C@@H]3O[C@@]34[C@@]5(C)CCC6=C(COC6=O)[C@@H]5C[C@@H]7O[C@]47[C@]28CO8
554588 9.017142857 7 8.313321598 6.1669375 NotRecorded 1 7 -2.146384098 CN(C)C(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
554589 8.927142857 7 8.12250881 6.389540179 NotRecorded 1 7 -1.732968632 COC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
554590 8.922857143 7 8.609666329 6.389540179 NotRecorded 1 7 -2.22012615 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C1C5(C)C)C
554591 9.18 7 8.202368366 5.8385 NotRecorded 1 7 -2.363868366 COC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C1C5(C)C)C
554593 8.86 4 9.057108333 5.909 NotRecorded 1 4 -3.148108333 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(F)F)C(=C([C@@H](OC(=O)C6CC6)C3=O)C5(C)C)C
554594 7.149562932 26 8.922222222 6.389540179 NotRecorded, Tubulin 2 26 -2.532682044 CN(C)C(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(F)F)C(=C1C5(C)C)C
554916 5.282 5 5.407967826 6.197397321 NotRecorded 1 5 0.789429495 CNC(=O)OCc1c(COC(=O)NC)c(c2ccc(Cl)cc2)n3c1Cc4ccccc34
556325 9.237142857 7 8.551027526 5.988071429 NotRecorded 1 7 -2.562956097 CN(C)C(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(c4)N=[N+]=[N-])[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
556326 8.914285714 7 7.813420218 5.996357143 NotRecorded 1 7 -1.817063075 COC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
556328 9.097142857 7 8.098764082 6.389540179 NotRecorded 1 7 -1.709223903 COc1cccc(c1)C(=O)O[C@H]2[C@H]3[C@@](C)([C@@H](O)C[C@H]4OC[C@@]34OC(=O)C)C(=O)[C@H](OC(=O)N(C)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F
556760 5.88 9 5.072988787 6.598642857 NotRecorded 1 9 1.525654071 CO[C@]1(CC[C@@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O
556761 5.833333333 9 4.952360191 6.598642857 NotRecorded 1 9 1.646282667 CO[C@]1(CC[C@@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O
556835 4.522878745 4 5.121070935 7.094169643 NotRecorded 1 4 1.973098708 C[C@@]12CCC[C@](C)([C@H]1[C@H](O)[C@H](O)[C@@]34C[C@H](CC[C@@H]23)[C@@](CO)(C4)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)O
557911 6.893333333 6 7.767424932 8.080125 NotRecorded 1 6 0.312700068 CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3cccc(F)c3)[C@@H](\C(=C(\O)/C(=O)C(=C1C)C2(C)C)\C)[C@@]4(CO[C@@H]4CCO)OC(=O)C
558044 9.327142857 7 8.978643442 5.988071429 NotRecorded 1 7 -2.990572014 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(c4)N=[N+]=[N-])[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
558449 6.412857143 7 6.20682127 7.369893495 NotRecorded 1 7 1.163072225 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H]5O[C@@H]6O[C@H](CO)C[C@@H](O)[C@]6(O)O[C@@H]5C[C@]34C=O)[C@@]1(O)CC[C@@H]2C7=CC(=O)OC7
559808 8.867142857 7 8.885865258 6.389540179 NotRecorded 1 7 -2.496325079 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(Cl)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
559809 9.217142857 7 8.719658873 6.415897321 NotRecorded 1 7 -2.303761551 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(c4)N=[N+]=[N-])[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
559810 8.951428571 7 9.19769076 6.389540179 NotRecorded 1 7 -2.808150581 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(OC)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
559811 8.905714286 7 8.025127348 5.996357143 NotRecorded 1 7 -2.028770205 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
559812 9.024285714 7 9.050571353 6.389540179 NotRecorded 1 7 -2.661031174 COc1cccc(c1)C(=O)O[C@H]2[C@H]3[C@@](C)([C@@H](O)C[C@H]4OC[C@@]34OC(=O)C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F
559813 9.014285714 7 8.725081514 5.909 NotRecorded 1 7 -2.816081514 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(Cl)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C1C5(C)C)C
559815 6.893333333 6 7.703560657 8.080125 NotRecorded 1 6 0.376564343 CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3cccc(F)c3)[C@@H](\C(=C(\O)/C(=O)C(=C1C)C2(C)C)\C)[C@@]4(CO[C@H]4CCO)OC(=O)C
559816 9.375 4 8.945983333 5.909 NotRecorded 1 4 -3.036983333 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(F)F)C(=C1C5(C)C)C
559817 7.00625 8 7.280522333 6.02196875 NotRecorded 1 8 -1.258553583 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)[C@H]6OCC\C=C\c7ccccc7C(=O)N[C@H]([C@@H](O)C(=O)O[C@@H]6C(=C1C5(C)C)C)c8ccccc8
559818 6.458333333 6 7.854742239 6.389540179 NotRecorded 1 6 -1.465202061 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)[C@H]6OC\C=C/OCc7ccccc7C(=O)N[C@H]([C@@H](O)C(=O)O[C@@H]6C(=C1C5(C)C)C)c8ccccc8
560078 5.898435407 1112 6.958918583 6.6526765 4′-phosphopantetheinyl transferase ffp, Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cholinesterase, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Histone acetyltransferase GCN5, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Menin/Histone-lysine N-methyltransferase MLL, Monoamine oxidase A, Monoamine oxidase B, Mothers against decapentaplegic homolog 3, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, P-glycoprotein 1, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Putative fructose-1-6-bisphosphate aldolase, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Thioredoxin reductase 1- cytoplasmic, Thromboxane-A synthase, Tubulin, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor, Vitamin D receptor 116 1112 -0.306242084 CCC1=C[C@@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC
560409 2 6 3.625 7.581061012 NotRecorded 1 6 3.956061012 COC(=O)c1c2C(=O)[C@]3(O)C[C@@]4(O)N(C[C@H]3C)C[C@H]5CCc6occc1c6c2[C@@]45C
561507 7.226666667 6 7.443117099 7.624571429 NotRecorded 1 6 0.18145433 CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3cccc(Cl)c3)[C@@H](\C(=C(\O)/C(=O)C(=C1C)C2(C)C)\C)[C@@]4(CO[C@@H]4CCO)OC(=O)C
561508 7.315714286 7 7.376833632 7.624571429 NotRecorded 1 7 0.247737797 CC(=C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3cccc(Cl)c3)[C@@H](\C(=C(\O)/C(=O)C(=C1C)C2(C)C)\C)[C@@]4(CO[C@@H]4CCO)OC(=O)C)C
561647 9.095714286 7 6.903759275 6.1669375 NotRecorded 1 7 -0.736821775 COc1cccc(c1)C(=O)O[C@H]2[C@H]3[C@@](C)([C@@H](O)C[C@H]4OC[C@@]34OC(=O)C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F
561650 6.375 4 6.421623626 6.15034375 NotRecorded 1 4 -0.271279876 CC(=C[C@@H]1NC(=O)c2ccccc2C\C=C\CO[C@H]3[C@H](OC(=O)[C@@H]1O)C(=C4[C@@H](OC(=O)C)C(=O)[C@]5(C)[C@@H](O)C[C@H]6OC[C@@]6(OC(=O)C)[C@H]5[C@H](OC(=O)c7ccccc7)[C@@]3(O)C4(C)C)C)C
562071 5.74 7 5.48615374 8.474852679 NotRecorded 1 7 2.988698938 C[C@@H]1C[C@@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]6(C)[C@H]([C@H](O)C[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1
562072 7.616666667 6 5.049539311 6.4100625 NotRecorded, Nuclear factor NF-kappa-B complex 2 6 1.360523189 C[C@@H]1CC2(NC(=O)CS2)[C@]3(O)O[C@@H]4C[C@@]5(CO)[C@@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C[C@H]4O[C@@H]3O1
562771 4.150514998 4 5.77405709 7.679679688 NotRecorded 1 4 1.905622597 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H]6NC(O)Oc7ccccc67)C(=C1C5(C)C)C
563331 9.075714286 7 7.89729083 6.1669375 NotRecorded 1 7 -1.73035333 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
563334 8.974285714 7 8.735197455 5.996357143 NotRecorded 1 7 -2.738840312 COC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C1C5(C)C)C
563335 9.3325 4 8.651850464 6.1669375 NotRecorded 1 4 -2.484912964 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(F)F)C(=C1C5(C)C)C
563338 7.173333333 6 7.400747314 7.405742188 NotRecorded 1 6 0.004994874 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)[C@H]6OC\C=C\Cc7ccccc7C(=O)N[C@H]([C@@H](O)C(=O)O[C@@H]6C(=C1C5(C)C)C)c8ccccc8
563339 5.701666667 6 6.942724664 6.389540179 NotRecorded 1 6 -0.553184486 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)[C@H]6OC\C=C\OCc7ccccc7C(=O)N[C@H]([C@@H](O)C(=O)O[C@@H]6C(=C1C5(C)C)C)c8ccccc8
563394 5.15 4 4.299140525 6.406883929 NotRecorded 1 4 2.107743404 CC(C)CC(=O)OC(C(C)C)C(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@](O)(COC(=O)C(OC(=O)CC(C)C)C(C)C)[C@H](C[C@]12O)OC(=O)C
563880 4.7425 4 5.245058966 7.094169643 NotRecorded 1 4 1.849110676 C[C@@]12CCC[C@](C)([C@H]1[C@H](O)[C@H](O)[C@@]34C[C@H](CC[C@@H]23)[C@](O)(CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4)C(=O)O
563980 2.378890833 6 2.175454104 6.634290179 NotRecorded 1 6 4.458836075 CO[C@@]12OC[C@]3(C)[C@](O)(CO)[C@@H](C[C@@]4([C@H](COC(=O)c5ccccc5)CC[C@]34O)[C@H]1O)O2
564219 6.232331596 65 6.600509046 6.482860159 Androgen Receptor, NotRecorded, Nuclear factor erythroid 2-related factor 2, Proto-oncogene c-JUN 4 65 -0.117648887 CCC1=C[C@@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC.OC(C(O)C(=O)O)C(=O)O.OC(C(O)C(=O)O)C(=O)O
564975 7.311666667 6 8.576403226 5.93475 NotRecorded 1 6 -2.641653226 COc1cccc(c1)C(=O)O[C@H]2[C@@H](\C(=C(\O)/C(=O)C3=C(C)[C@H](C[C@]2(O)C3(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(C)C)\C)[C@@]4(CO[C@@H]4CCO)OC(=O)C
565076 5.118 5 5.53613547 6.3607375 NotRecorded 1 5 0.82460203 C\C=C(\C)/C(=O)O[C@H]1[C@H](OC(=O)\C(=C/C)\C)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(=O)O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C
565077 5.446 5 5.53613547 6.3607375 NotRecorded 1 5 0.82460203 C\C=C(\C)/C(=O)O[C@H]1[C@H](OC(=O)\C(=C/C)\C)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(=O)O)[C@@](C)(C=O)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C
565103 9.165714286 7 8.34250129 5.988071429 NotRecorded 1 7 -2.354429862 COC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(c4)N=[N+]=[N-])[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
565104 8.88 7 9.103361905 5.8385 NotRecorded 1 7 -3.264861905 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(F)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C(=C1C5(C)C)C
565128 5.665891541 5 5.34468303 7.497327679 NotRecorded 1 5 2.152644649 COC(=O)[C@]12OC[C@@]34[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)C)OC(=O)[C@H](OC(=O)CC(C)C)[C@@H]24
565639 5 5 5.192724996 5.870357143 NotRecorded 1 5 0.677632147 CC1(C)[C@H](O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@]34[C@H](O)[C@@H]([C@@H](O)C[C@@H]23)C(=C)C4=O
565691 4.685 4 5.102928404 7.094169643 NotRecorded 1 4 1.991241239 C[C@@]12CCC[C@](C)([C@H]1[C@H](O)[C@H](O)[C@@]34C[C@H](CC[C@@H]23)[C@](O)(CO)C4)C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O
566814 6.968333333 12 7.940498153 8.0746875 NotRecorded 1 12 0.134189347 CC(=C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3cccc(F)c3)[C@@H](\C(=C(\O)/C(=O)C(=C1C)C2(C)C)\C)[C@@]4(CO[C@@H]4CCO)OC(=O)C)C
566918 9.072857143 7 8.780010972 5.909 NotRecorded 1 7 -2.871010972 CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(Cl)c4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C(=C1C5(C)C)C
566919 9.021428571 7 7.767659117 6.1669375 NotRecorded 1 7 -1.600721617 COc1cccc(c1)C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)N(C)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)OC(=O)C
566971 2.588965382 22 5.48356954 5.950193182 Heat shock protein HSP90, NotRecorded, Signal transducer and activator of transcription 3 3 22 0.466623642 CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
581304 5.830043092 19 7.834195972 6.111877973 NotRecorded, Tubulin 2 19 -1.722317998 COc1ccc(cc1N)C2CC2c3cc(OC)c(OC)c(OC)c3
581384 5.05625 16 6.564775215 6.190192969 NotRecorded 1 16 -0.374582246 COc1cc2CC[C@H](NC(=O)C(N)CCCCC(N)C(=O)N[C@H]3CCc4cc(OC)c(OC)c(OC)c4C5=CC=C(SC)C(=O)C=C35)C6=CC(=O)C(=CC=C6c2c(OC)c1OC)SC
581397 5.05625 16 6.243709453 6.27334375 NotRecorded 1 16 0.029634297 COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](OC(=O)CCCCC(=O)O[C@@H]4[C@H]5COC(=O)[C@@H]5[C@H](c6cc(OC)c(OC)c(OC)c6)c7cc8OCOc8cc47)c9cc%10OCOc%10cc29
583741 5.380772497 4 5.289627004 6.221828571 NotRecorded 1 4 0.932201567 CC1(C)CN=C(S1)N2CCN(CC(O)COc3ccc(OCC(O)CN4CCN(CC4)C5=NCC(C)(C)S5)cc3)CC2
592064 5.868202322 9 6.265504519 7.440824 NotRecorded 1 9 1.175319481 C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1OC(=O)CSSCC(=O)O[C@H]3[C@@H](C)CCC[C@H]4O[C@H]4C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]3C)\C(=C\c5csc(C)n5)\C)\C(=C\c6csc(C)n6)\C
592067 5.626672027 9 6.295461234 7.205244942 NotRecorded 1 9 0.909783708 C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1OC(=O)CCCCC(=O)O[C@H]3[C@@H](C)CCC[C@H]4O[C@H]4C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]3C)\C(=C\c5csc(C)n5)\C)\C(=C\c6csc(C)n6)\C
592068 5.931841654 9 6.373583211 7.399945456 NotRecorded 1 9 1.026362245 C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1OC(=O)CCCCCCC(=O)O[C@H]3[C@@H](C)CCC[C@H]4O[C@H]4C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]3C)\C(=C\c5csc(C)n5)\C)\C(=C\c6csc(C)n6)\C
594195 4.874 5 4.68210253 5.945396429 NotRecorded 1 5 1.263293899 COc1cc(cc(OC)c1OC)c2noc(NC(=O)C)c2c3cc(OC)c(OC)c(OC)c3
594321 7.482562858 7 6.535978293 7.334490855 NotRecorded 1 7 0.798512562 CC(C)C[C@@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)c5cnccn5)B(O)O
594323 7.931281429 7 6.780172068 7.624228673 NotRecorded 1 7 0.844056604 CC(C)C[C@@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc3ccccc3)NC(=O)c4cnccn4)B(O)O
594354 7.142710001 7 6.108236175 6.853531064 NotRecorded 1 7 0.74529489 CC(C)C[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3)B(O)O
594356 7.679852858 7 6.370676916 7.380586478 NotRecorded 1 7 1.009909561 CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)c4cnccn4)B(O)O
594407 8.066995715 7 6.798832201 7.953700116 NotRecorded 1 7 1.154867915 CC(C)C[C@@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)NC(=O)c3cnccn3)B(O)O
594420 7.372710001 7 6.084832809 7.032829801 NotRecorded 1 7 0.947996992 CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c3cnccn3)B(O)O
594452 7.586995715 7 6.328120664 7.564409182 NotRecorded 1 7 1.236288519 CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c3cnccn3)B(O)O
596332 5.795833333 12 5.371238308 5.063473181 NotRecorded 1 12 -0.307765127 COc1ccc(cc1)C(CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2ccccc2
596505 6.2075 4 5.828736224 6.422248214 NotRecorded 1 4 0.59351199 CCCCNCC(=O)O[C@@H]1[C@]2(O[C@H]2[C@@H]3O[C@@]34[C@H]5CCC6=C(COC6=O)[C@@H]5C[C@@H]7O[C@]147)C(C)C
596574 3.8575 4 4.027829166 6.661688839 NotRecorded 1 4 2.633859674 CC(C)[C@]12O[C@H]1[C@@H]3O[C@@]34[C@H]5CCC6=C(COC6=O)[C@@H]5C[C@@H]7O[C@]47[C@@H]2OC(=O)CNc8ccc(Cl)cc8
610501 4.159216792 11 6.134865867 7.533468344 NotRecorded, Solute carrier organic anion transporter family member 1B3 2 11 1.398602477 C[C@@H]1O[C@H](C[C@H](O)[C@H]1O)O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC(=O)C)C6=CC(=O)OC6)C2
613266 4.776128415 8 5.204807372 6.995384301 Cyclooxygenase-1, Cyclooxygenase-2, NotRecorded 3 8 1.790576928 COc1cc(cc(OC)c1OC)[C@@H]2[C@H]3[C@@H](COC3=O)[C@H](OC(=O)CCC(=O)NCCCCNC(=O)[C@@H](C)c4cccc(c4)C(=O)c5ccccc5)c6cc7OCOc7cc26
613349 5.91963609 8 6.712757499 7.1904375 Cyclooxygenase-1, Cyclooxygenase-2, NotRecorded 3 8 0.477680001 COc1cc(cc(OC)c1OC)[C@@H]2[C@H]3[C@@H](COC3=O)[C@H](OC(=O)CCC(=O)NCc4ccc(NS(=O)(=O)c5cccc6c(cccc56)N(C)C)cc4)c7cc8OCOc8cc27
614959 5.078 5 6.687834398 7.85134375 NotRecorded 1 5 1.163509352 C[C@@H]([C@H]1CC=C(C)C(=O)O1)[C@]2(O)CC[C@]3(C)[C@@H](C[C@]4(O)C=C5C=CC(=O)OC(C)(C)[C@@H]5[C@@H](C[C@@H]34)OC(=O)C)C2=C
614961 5 5 5.651305325 7.71409375 NotRecorded 1 5 2.062788425 C[C@@H]([C@H]1CC=C(C)C(=O)O1)[C@]2(O)CC[C@]3(C)[C@@H](C[C@@]4(O)[C@H]3C[C@@H](OC(=O)C)[C@H]5C(C)(C)OC(=O)C=C[C@]56O[C@H]46)C2=C
615015 5.166 5 5.222999766 6.64729375 NotRecorded 1 5 1.424293984 C[C@@H]([C@H]1CC=C(C)C(=O)O1)C2=CC[C@]3(C)[C@@H](C[C@]4(O)C=C5C=CC(=O)OC(C)(C)[C@@H]5[C@H](O)C[C@@H]34)C2=C
615016 5 5 6.322885532 9.045625 NotRecorded 1 5 2.722739468 C[C@@H]([C@H]1CC=C(C)C(=O)O1)C2=CC[C@]3(C)[C@@H](C[C@@]4(O)[C@H]3C[C@@H](O)[C@H]5C(C)(C)OC(=O)C=C[C@]56O[C@H]46)C2=C
615017 5 5 4.819832403 7.42580625 NotRecorded 1 5 2.605973847 C[C@@H]([C@H]1CC=C(C)C(=O)O1)[C@]2(O)CC[C@]3(C)[C@@H](C[C@@]4(O)[C@H]3C[C@@H](O)[C@H]5C(C)(C)OC(=O)C=C[C@]56O[C@H]46)C2=C
615018 5.306 5 5.242249601 6.41345625 NotRecorded 1 5 1.171206649 C[C@@H]([C@H]1CC=C(C)C(=O)O1)C2=CC[C@]3(C)[C@@H](C[C@]4(O)C=C5C=CC(=O)OC(C)(C)[C@@H]5[C@@H](C[C@@H]34)OC(=O)C)C2=C
618411 4.736 5 6.534142997 6.29509375 NotRecorded 1 5 -0.239049247 CC[C@H]1C[C@H]2C[C@@]3([C@H]1N(CCc4c3n(CC5=C[C@@]6(CCO)CC(=C7Nc8ccccc8[C@@]79CCN(C5)[C@@H]69)C(=O)OC)c%10ccc(OC)cc4%10)[C@@H]2O)C(=O)OC
618412 5.896 5 7.277624118 7.251136905 NotRecorded 1 5 -0.026487213 COC(=O)C1=C2Nc3ccccc3[C@@]24CCN5[C@H](O)[C@]6(C[C@@H]7C[C@]89CC(=O)C[C@H]8CCN%10CC[C@]%11([C@H]9%10)c%12cccc(OC)c%12N(C6)[C@@]7%11O)[C@@H]%13OCC[C@]%13(C1)[C@@H]45
626275 5 5 4.648565998 6.83065625 NotRecorded 1 5 2.182090252 CO[C@]12OC(=O)C(=C1C3=C4C(=C[C@H]5[C@@]6(C)[C@@H]7C[C@@H]7[C@@]8(O)COC(=O)\C(=C\COC(=O)CCC(=O)OCC9=C(C[C@H]68)[C@@]35OC9=O)\C)[C@H]%10C[C@H]%10[C@]4(C)[C@H]2O)C
626280 5 5 2.712371251 6.6839375 NotRecorded 1 5 3.971566249 C\C\1=C/COC(=O)CCC(=O)OCC2=C3C[C@H]4[C@](O)(COC1=O)[C@H]5C[C@H]5[C@]4(C)[C@@H]6C[C@]7(O)[C@H]8C[C@H]8[C@]9(C)C(=O)[C@@]%10(O)OC(=O)C(=C%10C(=C79)[C@]36OC2=O)C
626829 4.625324328 21 6.53974624 6.108785652 NotRecorded, Tubulin 2 21 -0.430960588 COc1cc(\C=C\c2ccc(OC)c(c2)B(O)O)cc(OC)c1OC
628818 5.312121724 57 6.782496959 5.824445712 NotRecorded, Tubulin 2 57 -0.958051248 COc1cc(\C=C/c2ccc(OC)c(c2)B(O)O)cc(OC)c1OC
641152 7.47 30 6.035530807 6.30201875 Sodium/potassium-transporting ATPase 1 30 0.266487943 CC12CCC(CC1CCC3C2CC[C@]4(C)C(CCC34O)C5=CC(=O)OC5)O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O
644485 4.774635337 4 5.698168971 7.170614063 NotRecorded 1 4 1.472445091 CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC(=O)C)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O
646494 7.1823252 4 6.109028157 6.49346875 NotRecorded 1 4 0.384440593 COC(=O)c1cccc(c1)C2=CN3[C@@H](C2)C=Nc4cc(OC)c(OC)cc4C3=O
646496 6.299483498 4 5.495581291 6.195510789 NotRecorded 1 4 0.699929498 COc1cc2N=C[C@@H]3CC(=CN3C(=O)c2cc1OC)c4cccc(c4)C(=O)NCCN(C)C
646743 7.296098432 4 5.2163421 5.50238365 NotRecorded 1 4 0.286041549 COc1cc2N=C[C@@H]3CC(=CN3C(=O)c2cc1OC)c4cc5ccccc5s4
647018 6.779263572 4 5.519438975 6.481212798 NotRecorded 1 4 0.961773823 COc1cc2N=C[C@@H]3CC(=CN3C(=O)c2cc1OC)c4ccc(cc4)C(=O)NCCN(C)C
647080 8.071212505 4 5.143527356 5.859578125 NotRecorded 1 4 0.716050769 [Na+].COc1cc2N[C@H]([C@@H]3CC(=CN3C(=O)c2cc1OC)c4ccc(F)cc4)S(=O)(=O)[O-]
647110 6.721840621 9 4.138670801 6.380378472 NotRecorded 1 9 2.241707672 C[C@H]1C[C@@H](C)\C=C(/C)\CCC(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c4ccc(O)cc4
647835 6.595786408 6 6.031764083 6.115079861 NotRecorded 1 6 0.083315778 COc1ccc(cc1)c2cnnn2[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5
649415 7.194522363 7 7.636550905 6.576375 NotRecorded 1 7 -1.060175905 C[C@@H]1C[C@H](O)[C@H](O)[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=COC(=O)C=C6)O1
649930 6.880815449 5 5.490166936 6.129198604 NotRecorded 1 5 0.639031668 COc1ccc2c(c1)C(=O)C=Cc3cc(OC)c(OC)c(OC)c23
650133 6.880161142 12 5.49893254 6.713015625 NotRecorded 1 12 1.214083085 C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O
650135 5.520202288 13 5.959072642 7.22924217 NotRecorded 1 13 1.270169528 C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O
650137 6.133753447 12 6.087215434 6.605733333 NotRecorded 1 12 0.518517899 C[C@@H]1O[C@H](O[C@H]2CC[C@]3([C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)C(=O)O)[C@H](O)[C@H](O)[C@H]1O
650141 5.558037315 12 5.09681136 6.463556771 NotRecorded 1 12 1.366745411 C[C@@H]1O[C@H](O[C@H]2CC[C@@H]3[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O
650143 7.115425654 12 5.481999863 5.888067708 NotRecorded 1 12 0.406067846 C[C@@H]1O[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O
650968 6.776117568 25 7.161043318 6.706391571 NotRecorded 1 25 -0.454651747 CO[C@@H]1[C@H](O)[C@H](O)[C@@H](C)O[C@@H]1O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6
650973 6.318645792 12 6.078109434 7.568892708 NotRecorded 1 12 1.490783274 C[C@@H]1O[C@H](O[C@H]2CC[C@@]3(C=O)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@H]1O
675699 7.637727383 20 5.941729654 7.23225 NotRecorded 1 20 1.290520346 CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](OC)C(=O)[C@]13C)C5(C)C)C
684363 5.0325 16 5.334719686 6.527143276 NotRecorded, Tubulin 2 16 1.192423589 COc1ccc(cc1)C(=O)ON=C2c3ccccc3C(=O)c4ccccc24
684428 5.0325 16 6.866523529 6.164957589 NotRecorded, Tubulin 2 16 -0.70156594 COc1ccc(cc1)S(=O)(=O)ON=C2c3ccccc3C(=O)c4ccccc24
684492 6.008125 16 6.493660757 6.116261819 NotRecorded, Tubulin 2 16 -0.377398937 COc1ccc(CON=C2c3ccccc3C(=O)c4ccccc24)cc1
686036 2.631777565 374 2.268219972 6.174150676 Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiomotin, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Proteinase-activated receptor 2, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Serum amyloid P-component, Sigma opioid receptor, Solute carrier organic anion transporter family member 1B1, Solute carrier organic anion transporter family member 1B3, Thromboxane-A synthase, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor 110 374 3.905930703 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)\C(=N/OCOCCOC)\[C@H](C)[C@@H](O)[C@]1(C)O
686967 4.516764005 5 4.337498093 7.921860119 NotRecorded 1 5 3.584362026 CC(=O)O[C@H]1C[C@@H](OC(=O)C)[C@@]2(C)CO[C@H]3[C@@H](O)[C@]4(C)[C@H](CC[C@@]5(C)[C@@H](OC(=O)[C@@H]6O[C@]456)c7cocc7)[C@]1(C)[C@H]23
690744 7.484 5 8.304053012 7.034950893 NotRecorded 1 5 -1.269102119 COc1ccc(cc1)C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3[C@H](O)CO[C@@H](O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@H]4[C@H](C)C(=O)CC[C@@H](C)CO)[C@@H]3OC(=O)C
691200 6.955313301 4 5.507617549 8.054103795 NotRecorded 1 4 2.546486245 CC[C@@](C)(OC(=O)C)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@]24[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]34)C)OC1=O
699423 4.869865745 24 3.224644724 7.665865885 Bromodomain adjacent to zinc finger domain protein 2B, Geminin, Inhibitor of apoptosis protein 3, Lysine-specific demethylase 4D-like, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Prelamin-A/C, Streptokinase A 8 24 4.441221161 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]4N[C@@H](COCCOC)O[C@H]([C@H]4C)[C@]1(C)O
699607 4.970782725 4 4.557137341 4.706359747 NotRecorded 1 4 0.149222406 Cc1ccc(Nc2nc(N\N=C\c3cc4OCOc4cc3Br)nc(Nc5ccc(cc5)[N+](=O)[O-])n2)cc1C
700105 4.449038238 7 3.433962449 6.1669375 NotRecorded 1 7 2.732975051 CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(=C\[C@@H]1CO[C@@H]4O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]4OC)\C.OC(C(O)C(=O)O)C(=O)O
704779 5.126912251 12 4.273444897 7.72553125 NotRecorded 1 12 3.452086353 CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O[C@@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]3O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@@H](O)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C
705179 5.94 4 6.28504203 7.079087997 NotRecorded 1 4 0.794045967 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)Cc3ccc4ccccc4c3)C(C)C)B(O)O)cc1
705180 6.4025 4 6.469588876 7.267630827 NotRecorded 1 4 0.798041951 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)Cc3cccc(Oc4ccccc4)c3)C(C)C)B(O)O)cc1
705181 6.145 4 6.805599683 7.528310547 NotRecorded 1 4 0.722710864 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3nccc4ccccc34)C(C)C)B(O)O)cc1
705182 6.0675 4 6.08785109 6.502220809 NotRecorded 1 4 0.41436972 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cc4ccccc4cn3)C(C)C)B(O)O)cc1
705183 5.451470004 4 6.616745189 7.456798655 NotRecorded 1 4 0.840053467 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccc4cnccc4c3)C(C)C)B(O)O)cc1
705184 6.0525 4 6.463429548 6.528056362 NotRecorded 1 4 0.064626814 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)Cc3ccc4ccccc4n3)C(C)C)B(O)O)cc1
705185 6.0025 4 6.711219749 7.528310547 NotRecorded 1 4 0.817090798 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cnc4ccccc4c3)C(C)C)B(O)O)cc1
705186 6.0775 4 6.70982743 6.6149375 NotRecorded 1 4 -0.09488993 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccnc4ccccc34)C(C)C)B(O)O)cc1
705187 5.955 4 6.517406914 7.191804688 NotRecorded 1 4 0.674397773 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cccc4cccnc34)C(C)C)B(O)O)cc1
705188 5.8975 4 7.002765756 7.52144308 NotRecorded 1 4 0.518677324 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cnccn3)C(C)C)B(O)O)cc1
705189 5.8925 4 7.061404474 7.52144308 NotRecorded 1 4 0.460038606 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccccn3)C(C)C)B(O)O)cc1
705190 5.288970004 4 6.89039818 7.52144308 NotRecorded 1 4 0.6310449 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cccnc3)C(C)C)B(O)O)cc1
705191 5.123970004 4 6.604924805 7.145983243 NotRecorded 1 4 0.541058437 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccncc3)C(C)C)B(O)O)cc1
705192 6.004485002 4 7.033213632 7.576382813 NotRecorded 1 4 0.54316918 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ncccc3C)C(C)C)B(O)O)cc1
705193 5.98 4 7.041166978 7.52144308 NotRecorded 1 4 0.480276103 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cc(C)ccn3)C(C)C)B(O)O)cc1
705194 6.035 4 6.770720313 7.136864955 NotRecorded 1 4 0.366144642 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccc(C)cn3)C(C)C)B(O)O)cc1
705195 6.05 4 7.033213632 7.191804688 NotRecorded 1 4 0.158591055 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cccc(C)n3)C(C)C)B(O)O)cc1
705196 6.095 4 6.860434837 7.900024152 NotRecorded 1 4 1.039589315 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ncccc3F)C(C)C)B(O)O)cc1
705197 6.045 4 6.762766968 7.191804688 NotRecorded 1 4 0.42903772 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccc(F)cn3)C(C)C)B(O)O)cc1
705198 6.0125 4 7.041166978 7.52144308 NotRecorded 1 4 0.480276103 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cccc(F)n3)C(C)C)B(O)O)cc1
705199 6.1225 4 6.37221147 7.954963885 NotRecorded 1 4 1.582752414 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ncccc3Cl)C(C)C)B(O)O)cc1
705200 5.9925 4 6.576045632 7.191804688 NotRecorded 1 4 0.615759055 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cc(Cl)ccn3)C(C)C)B(O)O)cc1
705201 6.0275 4 6.24696025 6.807226563 NotRecorded 1 4 0.560266313 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccc(Cl)cn3)C(C)C)B(O)O)cc1
705202 6.045 4 6.520142683 7.473370815 NotRecorded 1 4 0.953228131 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cccc(Cl)n3)C(C)C)B(O)O)cc1
705203 6.1525 4 6.762766968 7.143732422 NotRecorded 1 4 0.380965454 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3nc(Cl)ccc3Cl)C(C)C)B(O)O)cc1
705204 6.1425 4 6.974574914 7.191804688 NotRecorded 1 4 0.217229773 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ncccc3Br)C(C)C)B(O)O)cc1
705205 5.9925 4 6.517406914 6.807226563 NotRecorded 1 4 0.289819648 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cc(Br)ccn3)C(C)C)B(O)O)cc1
705206 5.96 4 6.576045632 7.191804688 NotRecorded 1 4 0.615759055 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccc(Br)cn3)C(C)C)B(O)O)cc1
705207 5.955 4 6.576045632 7.191804688 NotRecorded 1 4 0.615759055 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cccc(Br)n3)C(C)C)B(O)O)cc1
705208 5.85 4 6.854445642 7.52144308 NotRecorded 1 4 0.666997438 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cc(ccn3)C(F)(F)F)C(C)C)B(O)O)cc1
705209 5.89 4 6.854445642 7.52144308 NotRecorded 1 4 0.666997438 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccc(cn3)C(F)(F)F)C(C)C)B(O)O)cc1
705210 5.656985002 4 6.802710058 7.52144308 NotRecorded 1 4 0.718733022 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ncccc3O)C(C)C)B(O)O)cc1
705211 5.611985002 4 6.328490917 7.40872639 NotRecorded 1 4 1.080235473 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cccc(O)n3)C(C)C)B(O)O)cc1
705212 5.845 4 6.91308436 7.52144308 NotRecorded 1 4 0.60835872 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ncccc3OC)C(C)C)B(O)O)cc1
705213 6.1125 4 6.70412825 7.191804688 NotRecorded 1 4 0.487676438 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cc(OC)ccn3)C(C)C)B(O)O)cc1
705214 6.1125 4 6.762766968 7.191804688 NotRecorded 1 4 0.42903772 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccc(OC)cn3)C(C)C)B(O)O)cc1
705215 5.915 4 6.905131015 7.576382813 NotRecorded 1 4 0.671251798 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cccc(OC)n3)C(C)C)B(O)O)cc1
705216 5.8075 4 6.854445642 7.52144308 NotRecorded 1 4 0.666997438 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cc(ccn3)[N+](=O)[O-])C(C)C)B(O)O)cc1
705217 5.955 4 6.583998978 7.136864955 NotRecorded 1 4 0.552865978 COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3cc(ccn3)N(C)C)C(C)C)B(O)O)cc1
707050 5.769485002 4 7.061404474 7.52144308 NotRecorded 1 4 0.460038606 COc1ccc(C[C@H](NC(=O)CNC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccccn3)B(O)O)cc1
707168 5.748970004 4 6.91308436 7.52144308 NotRecorded 1 4 0.60835872 COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)c3ccccn3)B(O)O)cc1
711390 5.261428571 7 2.962406996 4.506908036 NotRecorded 1 7 1.54450104 Oc1cc(cc(O)c1O)C(=O)c2c[nH]c(n2)c3ccc(Cl)cc3
715383 5.561469567 14 5.524923676 6.221658163 NotRecorded 1 14 0.696734487 COC(=O)CC[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccc(O)c(Oc4ccc(C[C@H](N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc5ccc(OC)cc5)N(C)C1=O)C(=O)N2C)cc4)c3
715389 6.186428571 14 6.000569049 7.879375 NotRecorded 1 14 1.878805951 COc1ccc(C[C@@H]2N(C)C(=O)[C@H](CO)NC(=O)[C@@H](C)NC(=O)[C@@H]3Cc4ccc(O)c(Oc5ccc(C[C@H](N(C)C(=O)[C@H](C)NC2=O)C(=O)N3C)cc5)c4)cc1
715390 5.4 14 5.056780474 5.009470663 NotRecorded 1 14 -0.047309811 COc1ccc(C[C@@H]2N(C)C(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](C)NC(=O)[C@@H]3Cc4ccc(O)c(Oc5ccc(C[C@H](N(C)C(=O)[C@H](C)NC2=O)C(=O)N3C)cc5)c4)cc1
728194 4.497036587 6 3.954546166 7.34669494 Bromodomain adjacent to zinc finger domain protein 2B, DNA-(apurinic or apyrimidinic site) lyase, Microtubule-associated protein tau, Mothers against decapentaplegic homolog 3, NotRecorded 5 6 3.392148774 COC(=O)[C@H](CO)n1cc(nn1)c2cc(cc(c2)c3cn(nn3)[C@@H](Cc4c[nH]c5ccccc45)C(=O)OC)C(=O)N6CCN(CC6)C(=O)OC(C)(C)C
728937 4.870159093 5 4.382992112 7.371620536 ATPase family AAA domain-containing protein 5, Nonstructural protein 1, NotRecorded, Thioredoxin glutathione reductase 4 5 2.988628423 CCC(=O)O[C@@H]1CC(=O)O[C@H](C)CC=CC=C[C@@H](O)[C@H](C)C[C@H](CC=O)[C@H](O[C@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@H]1OC
731215 4.807243214 5 3.610252758 7.265825 Beta-lactamase AmpC, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded 5 5 3.655572242 Cl.C[C@@H](O)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCO)nn4)n5cc(CCCCN)nn5
732169 4.526031393 7 4.672685524 6.911732143 Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Thioredoxin glutathione reductase 6 7 2.239046619 Cl.C[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](Cc4ccc(O)cc4)n5cc(CCO)nn5)n6cc(CCCN=C(N)N)nn6
734966 5.007791698 16 3.834703718 8.47596875 ATPase family AAA domain-containing protein 5, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Serine/threonine-protein kinase PLK1 7 16 4.641265032 Cl.N[C@@H](Cc1ccc(O)cc1)c2cn(nn2)[C@@H](Cc3cc4ccccc4[nH]3)C(=O)N5CCN(CC5)c6nc(NCCOCCOCCOCC#C)nc(n6)N7CCOCC7
736712 4.761590876 13 4.191933783 6.218098558 Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, Geminin, Lethal(3)malignant brain tumor-like protein 1, Lysine-specific demethylase 4A, NotRecorded, Thioredoxin glutathione reductase, Thioredoxin reductase 1- cytoplasmic 8 13 2.026164775 Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](Cc2ccc(O)cc2)C(=O)N3CCN(CC3)c4nc(NCCOCCOCCOCC#C)nc(n4)N5CCN(CC5)C(=O)[C@H](CCC(=O)O)n6cc(nn6)C(N)CO
737918 4.933552153 8 4.387239353 7.35528125 Beta-lactamase AmpC, DNA polymerase iota, Geminin, NotRecorded, Parathyroid hormone receptor, Thioredoxin reductase 1- cytoplasmic 6 8 2.968041897 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCCN)nn4)n5cc(CCCCN)nn5
738815 5.566910448 32 5.050081642 7.071 4′-phosphopantetheinyl transferase ffp, ATPase family AAA domain-containing protein 5, Ferritin light chain, Geminin, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(s)- subunit alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Niemann-Pick C1 protein, NotRecorded, Nuclear factor erythroid 2-related factor 2, Nuclear receptor ROR-gamma, Parathyroid hormone receptor 12 32 2.020918358 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](O)C3=O)C5(C)C)C
739207 4.799999917 19 4.938987489 6.202488957 Anthrax lethal factor, Arachidonate 15-lipoxygenase, Arachidonate 15-lipoxygenase- type II, Cellular tumor antigen p53, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Hypoxia-inducible factor 1 alpha, MAP kinase ERK2, Thrombopoietin, Thyroid stimulating hormone receptor 13 19 1.263501468 CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@@H]7[C@@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1
739314 4.762536596 9 3.305795176 8.257145833 Cytochrome P450 3A4, Histone acetyltransferase GCN5, NotRecorded, Nuclear receptor ROR-gamma, Peripheral myelin protein 22, Prelamin-A/C, Tyrosyl-DNA phosphodiesterase 1 7 9 4.951350657 CCC1OC(=O)C(C)[C@@H](O[C@H]2C[C@@](C)(OC)C(O)C(C)O2)C(C)[C@@H](O[C@@H]3OC(C)CC(C3O)N(C)C)[C@@](C)(O)CC(C)C(=O)[C@@H](C)C(O)[C@]1(C)O
742320 4.812950049 7 4.542275177 6.44028125 Guanine nucleotide-binding protein G(s)- subunit alpha, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1, Vitamin D receptor 4 7 1.898006073 CC1CC2OC3CC(O)C(O[C@@]3(C)CC2OC4CC[C@@]5(C)O[C@@]6(C)CC7O[C@H]8CC9O[C@@]%10(C)C(O)CC(CC(=C)C=O)OC%10CC9OC8\C=C/C[C@@]7(C)OC6CC5OC14)\C(=C/CO)\C
742651 6.003898039 7 3.162710907 7.160308929 ATPase family AAA domain-containing protein 5, DNA polymerase iota, Geminin, NotRecorded 4 7 3.997598022 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCN=C(N)N)nn4)n5cc(CCCCN)nn5
742745 5.021149474 33 2.98852748 6.6748125 Ataxin-2, Bromodomain adjacent to zinc finger domain protein 2B, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4A, NotRecorded, Nuclear factor erythroid 2-related factor 2, Rap guanine nucleotide exchange factor 3 8 33 3.68628502 CCC(C)N1CCC2(CC1)N=C3C4=C(O)c5c(O)c(C)c6O[C@](C)(OC=C[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(=O)N4)C(=O)c6c5C3=N2
742783 4.821590209 8 5.109386655 5.865165179 Ataxin-2, Chromobox protein homolog 1, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Muscleblind-like protein 1, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1 7 8 0.755778523 NC(=O)CC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)c3cc(cc(I)c3NCCCC[C@H](NC1=O)C(=O)NC(CC(=O)O)C(=O)N)[N+](=O)[O-]
747503 4.209518448 37 2.874513549 7.947477679 15-hydroxyprostaglandin dehydrogenase [NAD+], ATP-dependent DNA helicase Q1, Alpha-galactosidase A, Arachidonate 12-lipoxygenase, Bloom syndrome protein, Cellular tumor antigen p53, Cruzipain, Cytochrome P450 3A4, DNA polymerase kappa, Endoplasmic reticulum-associated amyloid beta-peptide-binding protein, Ferritin light chain, Histone acetyltransferase GCN5, Luciferin 4-monooxygenase, MAP kinase ERK2, Menin/Histone-lysine N-methyltransferase MLL, Microtubule-associated protein tau, NotRecorded, Nuclear receptor ROR-gamma, Putative fructose-1-6-bisphosphate aldolase, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2, Vitamin D receptor 22 37 5.07296413 CCCCCCCCCCCCOS(=O)(=O)O.CCC1OC(=O)C(C)[C@@H](O[C@H]2C[C@@](C)(OC)C(O)C(C)O2)C(C)[C@@H](OC3OC(C)CC([C@H]3OC(=O)CC)N(C)C)[C@@](C)(O)CC(C)C(=O)[C@@H](C)C(O)[C@]1(C)O
748541 4.738013234 21 3.464821942 6.230042857 ATPase family AAA domain-containing protein 5, Ataxin-2, Bromodomain adjacent to zinc finger domain protein 2B, Geminin, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(s)- subunit alpha, Lysine-specific demethylase 4A, Mothers against decapentaplegic homolog 3, NotRecorded, Ubiquitin-conjugating enzyme E2 N 10 21 2.765220915 CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCOCC3)n4cc(CCCCCN)nn4
748696 5.618109163 12 3.623132563 7.398125 Cellular tumor antigen p53, Cruzipain, DNA-(apurinic or apyrimidinic site) lyase, NotRecorded, Nuclear receptor ROR-gamma, Survival motor neuron protein, Ubiquitin carboxyl-terminal hydrolase 2 7 12 3.774992437 CC1O[C@H](CC(O)[C@H]1O)O[C@@H]2C(O)C[C@H](O[C@@H]3C(O)C[C@@H](OC4CC[C@]5(C)[C@H](CCC6C5CC[C@]7(C)C(CC[C@@]67O)C8=CC(=O)OC8)C4)OC3C)OC2C
749899 3.448582971 11 3.659093184 7.371620536 Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2 8 11 3.712527352 CO[C@@H]1[C@@H](CC(=O)O[C@H](C)C\C=C/C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@H]1O[C@H]2O[C@@H](C)[C@@H](O[C@@H]3C[C@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H]([C@@H]2O)N(C)C)OC(=O)C
751508 4.380608552 15 3.44494382 7.0971875 Cytochrome P450 3A4, Ferritin light chain, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4D-like, MAP kinase ERK2, Microtubule-associated protein tau, NotRecorded, Peripheral myelin protein 22, Tyrosyl-DNA phosphodiesterase 1, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2, Vitamin D receptor 13 15 3.65224368 COC1\C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C\C(C)C(O)[C@@H](C)C(O)C(C)[C@@H](OC(=O)C)C1C)\C)c5c(nc6cc(C)ccn56)c4c3C2=O
759060 5.220628925 46 5.867449165 6.711036685 ATPase family AAA domain-containing protein 5, Aberrant vpr protein, Aldehyde dehydrogenase 1A1, Ataxin-2, Beta-2 adrenergic receptor, DNA dC->dU-editing enzyme APOBEC-3G, DNA damage-inducible transcript 3 protein, Eyes absent homolog 2, Geminin, Glucagon-like peptide 1 receptor, Isocitrate dehydrogenase [NADP] cytoplasmic, MAP kinase ERK2, Microtubule-associated protein tau, Mothers against decapentaplegic homolog 3, Neuropeptide S receptor, Niemann-Pick C1 protein, NotRecorded, Nuclear factor erythroid 2-related factor 2, Parathyroid hormone receptor, Ras-related protein Rab-9A, TAR DNA-binding protein 43, Thioredoxin glutathione reductase, X-box-binding protein 1 23 46 0.843587519 C[C@@H]1CC2OC3CC4OC(=O)C=C(C)C4O[C@@]3(C)CC2OC5CC[C@@]6(C)O[C@@]7(C)CC8OC9CC%10O[C@@]%11(C)C(O)CC(CC(=C)C=O)OC%11CC%10OC9C%12OC%12C[C@@]8(C)OC7CC6OC15
762755 5.168714426 9 4.470300077 6.844557143 Beta-lactamase AmpC, DNA polymerase iota, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysosomal alpha-glucosidase, NotRecorded, TAR DNA-binding protein 43 7 9 2.374257066 Cl.CC(C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCN=C(N)N)nn4)n5cc(CCO)nn5
763148 4.420000265 5 3.281531091 7.6811875 DNA polymerase beta, DNA polymerase iota, DNA polymerase kappa, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded 5 5 4.399656409 Cl.NCCCCc1cn(CC(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)Cn5cc(CCCCN)nn5)nn1
769388 5.077179919 10 4.527739033 6.65340625 Bromodomain adjacent to zinc finger domain protein 2B, Lysine-specific demethylase 4A, NotRecorded, Thioredoxin glutathione reductase, Thioredoxin reductase 1- cytoplasmic 5 10 2.125667217 Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](CCC(=O)O)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCC(=O)O)n5cc(nn5)C(N)CC(C)C
778811 5.243419439 27 4.355261374 7.212 ATPase family AAA domain-containing protein 5, Ataxin-2, Beta-lactamase AmpC, DNA polymerase eta, Ferritin light chain, Geminin, Glycoprotein hormones alpha chain, Guanine nucleotide-binding protein G(s)- subunit alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear receptor ROR-gamma 12 27 2.856738626 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)Cc6ccccc6)c7ccccc7)C(=C1C5(C)C)C
778872 4.765327977 6 2.201367846 7.9366875 Glutaminase kidney isoform- mitochondrial, Lysine-specific demethylase 4D-like, NotRecorded, Prelamin-A/C 4 6 5.735319654 CCC1OC(=O)C[C@H](O)C(C)[C@@H](O[C@@H]2OC(C)C(O)C(C2O)N(C)C)C(CCN3CC(C)CC(C)C3)CC(C)C(=O)\C=C\C(=C/[C@@H]1COC4OC(C)C(O)C(OC)C4OC)\C
779294 4.118399171 5 5.011218361 6.626276786 4′-phosphopantetheinyl transferase ffp, Cytochrome P450 3A4, NotRecorded 3 5 1.615058424 CCC1OC(=O)C(C)C(=O)C(C)[C@@H](OC2OC(C)CC(C2O)N(C)C)C(C)(OC)C3(CCCn4cnc(c4)c5cccnc5)CC(C)C(=O)C(C)C6N(C3)C(=O)O[C@]16C
779847 4.174999959 18 4.508455521 6.73921875 Ataxin-2, Cellular tumor antigen p53, Cruzipain, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Ferritin light chain, Hypoxia-inducible factor 1 alpha, MAP kinase ERK2, NotRecorded, Prelamin-A/C, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2 15 18 2.230763229 CC[C@H](C)[C@@H]1O[C@]2(CC[C@@H]1C)C[C@H]3C[C@H](C\C=C(/C)\[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C6CO[C@@H]7[C@@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2
780664 4.077789609 17 4.151399279 5.8916875 Cellular tumor antigen p53, Cruzipain, Cytochrome P450 3A4, DNA polymerase kappa, DNA-(apurinic or apyrimidinic site) lyase, Ferritin light chain, Microtubule-associated protein tau, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2 10 17 1.740288221 COC1C(OC(=O)C(C)C)[C@]2(C)C(OC(=O)\C(=C(/OC)\C(C)C)\C2[C@@]34OC5(C)OC67CC(C)(C(CC(=O)OC)[C@]6(C)[C@@]13O5)C(OC(=O)C)[C@@]7(OC)C4OC)c8cocc8
781253 5.780203546 8 4.975393416 6.878028125 Cellular tumor antigen p53, Cruzipain, Geminin, NotRecorded, Prelamin-A/C, Survival motor neuron protein 6 8 1.902634709 C[C@H]1O[C@H](CC(OC(=O)C)[C@@H]1O[C@H]2OC(CO)C(O)C(O)C2O)O[C@@H]3C(O)C[C@H](O[C@@H]4C(O)C[C@@H](OC5CC[C@]6(C)C(CCC7C6CC(O)[C@@]8(C)C(CC[C@@]78O)C9=CC(=O)OC9)C5)OC4C)OC3C
781504 5.641010294 32 4.308553378 7.212 ATPase family AAA domain-containing protein 5, Ataxin-2, Beta-lactamase AmpC, Ferritin light chain, Geminin, Guanine nucleotide-binding protein G(s)- subunit alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Lysine-specific demethylase 4A, NotRecorded, Nuclear receptor ROR-gamma, Putative fructose-1-6-bisphosphate aldolase, Ras-related protein Rab-9A 12 32 2.903446622 CC\C=C\CC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
781819 4.885265262 12 3.793533231 8.50540625 ATPase family AAA domain-containing protein 5, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, NotRecorded, Nuclear factor erythroid 2-related factor 2, Thioredoxin glutathione reductase 6 12 4.711873019 C[C@H](O)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCOCC3)n4cc(C)nn4
782728 5.216916057 7 3.826988751 6.870971429 ATPase family AAA domain-containing protein 5, Beta-lactamase AmpC, DNA-(apurinic or apyrimidinic site) lyase, Geminin, NotRecorded 5 7 3.043982678 Cl.CC(O)Cc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(CCC(=O)O)nn5
784504 6.286341629 16 5.537653214 5.965175223 ATPase family AAA domain-containing protein 5, Cellular tumor antigen p53, NotRecorded, Survival motor neuron protein 4 16 0.427522009 CC1O[C@@H](OC2CC[C@@]3(C=O)C4CC[C@]5(C)C(CC[C@@]5(O)C4CC[C@]3(O)C2)C6=CC(=O)OC6)C(O)C(O)C1O
784828 4.734366068 24 4.6602995 6.0115 Anthrax lethal factor, Arachidonate 15-lipoxygenase, Arachidonate 15-lipoxygenase- type II, CREB-binding protein, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Menin/Histone-lysine N-methyltransferase MLL, Microtubule-associated protein tau, NotRecorded, Regulator of G-protein signaling 4 13 24 1.3512005 CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](C(=O)OC)[C@@]8(CC)C=CCN9CC[C@]67[C@@H]89)C(=O)OC)C1
785589 5.115771167 25 5.010237955 7.409579446 15-hydroxyprostaglandin dehydrogenase [NAD+], ATP-dependent Clp protease proteolytic subunit, Aldehyde dehydrogenase 1A1, Glucagon-like peptide 1 receptor, Histone acetyltransferase GCN5, Lysine-specific demethylase 4D-like, Lysosomal alpha-glucosidase, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Nuclear factor erythroid 2-related factor 2, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Sphingomyelin phosphodiesterase, Thioredoxin reductase 1- cytoplasmic 13 25 2.399341491 Oc1nc2cc3OCOc3cc2cc1CN(Cc4ccc5OCOc5c4)Cc6nnnn6CC7CCCO7
786897 4.352940526 17 4.861521158 6.0115 Anthrax lethal factor, Arachidonate 15-lipoxygenase, Arachidonate 15-lipoxygenase- type II, Cellular tumor antigen p53, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Hypoxia-inducible factor 1 alpha, NotRecorded, Thrombopoietin 12 17 1.149978842 CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@@]8(CC)C=CCN9CC[C@]67[C@@H]89)C(=O)OC)C1
787194 5.032462194 21 5.473221342 6.076919643 ATPase family AAA domain-containing protein 5, Beta-lactamase AmpC, Cruzipain, Geminin, Histone-lysine N-methyltransferase MLL, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Menin/Histone-lysine N-methyltransferase MLL, Microtubule-associated protein tau, NotRecorded, Nuclear receptor ROR-gamma, Prelamin-A/C 11 21 0.6036983 CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)\C(=C\[C@@H]4CC[C@@H](O)[C@@H](C4)OC)\C
789020 4.790464332 10 4.55844753 8.256727679 Aberrant vpr protein, DNA polymerase beta, DNA polymerase iota, Glycoprotein hormones alpha chain, Mothers against decapentaplegic homolog 3, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1 7 10 3.698280148 C[C@@H]1CC2OC3CC4OC(=O)C=C(C)C4O[C@@]3(C)CC2OC5CC[C@@]6(C)O[C@@]7(C)CC8OC9CC%10O[C@@]%11(C)C(O)CC(CC(=C)COC(=O)C)OC%11CC%10OC9\C=C/C[C@@]8(C)OC7CC6OC15
790206 5.797984568 13 4.718066301 5.897059079 15-hydroxyprostaglandin dehydrogenase [NAD+], Aldehyde dehydrogenase 1A1, Arachidonate 15-lipoxygenase- type II, Cruzipain, DNA polymerase kappa, Histone acetyltransferase GCN5, NotRecorded, Nuclear receptor ROR-gamma, Thyroid hormone receptor beta-1, Vitamin D receptor 10 13 1.178992778 CC\C(=C/C(=O)C[C@H](C)C[C@@H](C)CC[C@H](O)[C@H](C)C(=O)C[C@@H](O)[C@H](C)[C@@H](C)OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)\C=C
790450 4.92176034 14 2.932335197 7.55221875 4′-phosphopantetheinyl transferase ffp, Bromodomain adjacent to zinc finger domain protein 2B, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Nuclear receptor ROR-gamma, Survival motor neuron protein 9 14 4.619883553 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](C)n4cc(CCC(=O)O)nn4)n5cc(CCCCN)nn5
796487 4.731250052 8 4.234213493 7.504 ATP-dependent DNA helicase Q1, Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysosomal alpha-glucosidase, Thioredoxin glutathione reductase 6 8 3.269786507 OCCc1cn(nn1)[C@@H](Cc2ccc(O)cc2)C(=O)N3CCN(CC3)c4nc(NCCOCCOCCOCC#C)nc(n4)N5CCN(CC5)C(=O)[C@H](Cc6ccc(O)cc6)n7cc(CCO)nn7
803006 4.049793196 13 3.376722452 7.9445 Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, Histone-lysine N-methyltransferase MLL, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4A, NotRecorded 6 13 4.567777548 Cl.CCCCc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(CCCC)nn5
803648 4.939304983 8 3.738061063 8.10903125 DNA-(apurinic or apyrimidinic site) lyase, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded 3 8 4.370970187 Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc2ccc(O)cc2)C(=O)N3CCN(CC3)c4nc(NCCOCCOCCOCC#C)nc(n4)N5CCOCC5
804994 4.185714306 7 2.858400935 7.6811875 Bromodomain adjacent to zinc finger domain protein 2B, Chromobox protein homolog 1, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4D-like, Lysosomal alpha-glucosidase 5 7 4.822786565 Cl.CC(O)Cc1cn(CC(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)Cn5cc(CCCCN)nn5)nn1
806335 4.961404622 12 4.722375197 7.4363125 Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Nuclear factor erythroid 2-related factor 2 4 12 2.713937303 Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc2cc3ccccc3[nH]2)C(=O)N4CCN(CC4)c5nc(NCCOCCOCCOCC#C)nc(n5)N6CCOCC6
813406 4.774084337 13 4.195510264 5.872357143 Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, Eyes absent homolog 2, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded 6 13 1.676846879 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(nn4)[C@@H](N)C(C)CC)n5cc(nn5)[C@@H](N)CC(C)C
817201 4.898383197 11 3.358210295 7.375039773 Aldehyde dehydrogenase 1A1, Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, DNA-(apurinic or apyrimidinic site) lyase, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, MAP kinase ERK2, Muscleblind-like protein 1, NotRecorded, Survival motor neuron protein, Thioredoxin glutathione reductase 10 11 4.016829478 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)N)NC(=O)c3cc(cc(I)c3NCC[C@H](NC1=O)C(=O)N)[N+](=O)[O-]
817806 4.900931259 9 4.103047876 6.828443056 ATPase family AAA domain-containing protein 5, Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, Geminin, NotRecorded, Thioredoxin glutathione reductase 7 9 2.725395179 Cl.C[C@@H](O)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(CCC(=O)O)nn4)n5cc(CCCCN)nn5
817945 5.090349624 8 4.649047309 7.212 Cruzipain, NotRecorded, Nuclear receptor ROR-gamma, Tyrosyl-DNA phosphodiesterase 1, Ubiquitin carboxyl-terminal hydrolase 2 5 8 2.562952691 CC(=O)OC1C(=O)[C@@]2(C)C(O)CC3OC[C@]3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)C(O)C(NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
819012 4.802869616 18 4.44865598 5.924331944 78 kDa glucose-regulated protein, Cellular tumor antigen p53, Geminin, Huntingtin, MAP kinase ERK2, NotRecorded, Nuclear receptor ROR-gamma, Peripheral myelin protein 22, Prelamin-A/C, Survival motor neuron protein, Ubiquitin carboxyl-terminal hydrolase 2 11 18 1.475675965 CC1CC[C@]2(NC1)OC3C4CCC5CC(CC[C@@]5(C)C4CC[C@]3(C)C2C)O[C@H]6O[C@@H](CO)[C@H](O[C@@H]7OC(CO)[C@H](O)[C@@H](OC8OCC(O)[C@@H](O)[C@@H]8O[C@H]9OC(CO)C(O)C(O)C9O)C7O)C(O)C6O
821546 5.65578647 19 4.008206209 5.996357143 Ataxin-2, Ferritin light chain, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Isocitrate dehydrogenase [NADP] cytoplasmic, Nonstructural protein 1, NotRecorded, Nuclear receptor ROR-gamma 8 19 1.988150934 C\C=C(/C)\C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
822257 4.904777518 43 2.764544436 6.273697141 6-phospho-1-fructokinase, Alpha-synuclein, Bloom syndrome protein, DNA polymerase iota, DNA polymerase kappa, Eyes absent homolog 2, Flap endonuclease 1, Glutaminase kidney isoform- mitochondrial, Histone acetyltransferase GCN5, Histone-lysine N-methyltransferase MLL, Huntingtin, Luciferin 4-monooxygenase, Menin/Histone-lysine N-methyltransferase MLL, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear receptor ROR-gamma, Peripheral myelin protein 22, Thioredoxin reductase 1- cytoplasmic, Ubiquitin carboxyl-terminal hydrolase 1 19 43 3.509152706 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O[C@H]6CCCCO6)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
832242 5.20116127 8 4.504068843 6.60215625 Aldehyde dehydrogenase 1A1, Geminin, NotRecorded, TAR DNA-binding protein 43, Thyrotropin-releasing hormone receptor 5 8 2.098087407 C[C@@H]1CC2OC3CC4OC(=O)C=C(C)C4O[C@@]3(C)CC2OC5CC[C@@]6(C)O[C@@]7(C)CC8OC9CC%10O[C@@]%11(C)C(O)CC(CC(=C)C(=O)O)OC%11CC%10OC9\C=C/C[C@@]8(C)OC7CC6OC15
835906 4.607424326 17 3.698566988 7.032391544 4′-phosphopantetheinyl transferase ffp, Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, Chromobox protein homolog 1, DNA polymerase iota, DNA-(apurinic or apyrimidinic site) lyase, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4A, Lysine-specific demethylase 4D-like, MAP kinase ERK2, Muscleblind-like protein 1, Nonstructural protein 1, NotRecorded 13 17 3.333824557 Cl.C[C@@H](O)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](Cc4ccc(O)cc4)n5cc(CCO)nn5)n6cc(CCCCN)nn6
838085 5.365855744 10 2.157327656 6.877879063 Ataxin-2, Geminin, Lysine-specific demethylase 4A, NotRecorded, Prelamin-A/C 5 10 4.720551406 COC(=O)[C@@H]1C[C@@]23[C@@H](N(C)c4ccc(OC)cc24)C(=C(N=C3N1C(=O)COCc5ccccc5)C(=O)OC)C(=O)OC
840249 4.918585357 11 4.025130864 6.105633523 Bromodomain adjacent to zinc finger domain protein 2B, DNA-(apurinic or apyrimidinic site) lyase, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Thioredoxin glutathione reductase 5 11 2.080502658 Cl.CC[C@H](C)C(C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCC(=O)O)n4cc(nn4)C(N)Cc5ccc(O)cc5)n6cc(nn6)C(N)CO
843152 5.309040043 7 4.511075154 7.5528125 ATP-dependent DNA helicase Q1, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Guanine nucleotide-binding protein G(s)- subunit alpha, NotRecorded, Thioredoxin glutathione reductase 6 7 3.041737346 COC(=O)[C@H](CO)n1cc(nn1)c2cc(cc(c2)c3cn(nn3)[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C
848529 4.143837893 11 3.332235651 7.154749188 Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, DNA-(apurinic or apyrimidinic site) lyase, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4A, Lysine-specific demethylase 4D-like, Nonstructural protein 1, NotRecorded 8 11 3.822513537 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](Cc4ccc(O)cc4)n5cc(CCO)nn5)n6cc(CCCN=C(N)N)nn6
849680 4.699999909 5 3.9700558 7.4375625 Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3 4 5 3.4675067 CC(C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](C(C)C)n4cc(CCO)nn4)n5cc(CCO)nn5
853971 5.035465371 10 3.532758791 6.715370536 Bromodomain adjacent to zinc finger domain protein 2B, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Prelamin-A/C, Vitamin D receptor 7 10 3.182611744 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](C(C)C)n4cc(CCO)nn4)n5cc(CCCN=C(N)N)nn5
854623 4.430346899 28 3.93758803 7.091595982 Aldehyde dehydrogenase 1A1, Bromodomain adjacent to zinc finger domain protein 2B, Cytoplasmic zinc-finger protein, DNA polymerase iota, Guanine nucleotide-binding protein G(s)- subunit alpha, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, Mothers against decapentaplegic homolog 3, NotRecorded, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Polyadenylate-binding protein 1, Thioredoxin glutathione reductase, Tyrosyl-DNA phosphodiesterase 1, Zinc finger protein mex-5 14 28 3.154007952 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H]([C@@H](C)CC)n4cc(nn4)[C@@H](N)CC(C)C)n5cc(nn5)[C@@H](N)CO
860035 4.070588149 17 3.95855319 6.76171875 Ataxin-2, Cruzipain, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Hypoxia-inducible factor 1 alpha, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Prelamin-A/C, Ubiquitin carboxyl-terminal hydrolase 2 12 17 2.80316556 CC[C@@H]1O[C@@]2(C[C@H]3C[C@H](C\C=C(/C)\[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C6CO[C@@H]7[C@@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C
860905 5.03032239 22 5.552622457 6.197891014 ATPase family AAA domain-containing protein 5, Ataxin-2, Chromobox protein homolog 1, DNA polymerase kappa, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Nuclear factor erythroid 2-related factor 2, Ras-related protein Rab-9A, Serine/threonine-protein kinase mTOR, Thioredoxin reductase 1- cytoplasmic 10 22 0.645268557 CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1
863252 4.899668434 15 4.74376124 7.217808036 ATP-dependent DNA helicase Q1, ATPase family AAA domain-containing protein 5, Alpha-synuclein, DNA polymerase beta, Ferritin light chain, Menin/Histone-lysine N-methyltransferase MLL, Microtubule-associated protein tau, NotRecorded, Nuclear factor erythroid 2-related factor 2, Rap guanine nucleotide exchange factor 3 10 15 2.474046796 COC(=O)[C@H](CO)n1cc(nn1)c2cc(cc(c2)c3cn(nn3)[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C
866848 4.526861058 10 4.270001221 6.2335625 ATPase family AAA domain-containing protein 5, Bromodomain adjacent to zinc finger domain protein 2B, Lysine-specific demethylase 4A, NotRecorded, Thioredoxin glutathione reductase, Thioredoxin reductase 1- cytoplasmic 6 10 1.963561279 Cl.CC[C@H](C)C(C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCC(=O)O)n4cc(nn4)C(N)CO)n5cc(nn5)C(N)Cc6ccc(O)cc6
873354 4.761595586 45 4.398395943 6.643591786 Ataxin-2, DNA dC->dU-editing enzyme APOBEC-3G, DNA polymerase beta, DNA polymerase eta, DNA polymerase iota, DNA polymerase kappa, Geminin, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(s)- subunit alpha, Histone-lysine N-methyltransferase MLL, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Isocitrate dehydrogenase [NADP] cytoplasmic, Large T antigen, Microtubule-associated protein tau, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2, Nuclear receptor ROR-gamma, Parathyroid hormone receptor, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Regulator of G-protein signaling 4, Serine/threonine-protein kinase PLK1, Thioredoxin glutathione reductase, Thioredoxin reductase 1- cytoplasmic, Vitamin D receptor, Werner syndrome ATP-dependent helicase 26 45 2.245195843 C[C@@H]1C[C@@H](OC(=O)CC(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H]4OC(=O)C(=C)[C@H]24)[C@@H]5[C@H](OC(=O)C5=C)[C@@]6(C)[C@@H]1C=CC6=O
877731 5.010739682 6 4.072502444 5.836875 Bromodomain adjacent to zinc finger domain protein 2B, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Thioredoxin glutathione reductase 4 6 1.764372556 Cl.CC(C)CC(N)c1cn(nn1)[C@@H](Cc2ccc(O)cc2)C(=O)N3CCN(CC3)c4nc(NCCOCCOCCOCC#C)nc(n4)N5CCN(CC5)C(=O)[C@H](CCC(=O)O)n6cc(nn6)C(N)CO
878819 6.563239614 7 3.939213828 6.164482143 NotRecorded, Regulator of G-protein signaling 4 2 7 2.225268315 C[C@@H](C[C@H](O)C1OC2CC[C@@]3(CC[C@H](O3)\C=C\[C@@H](C)C4CC(=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CCC5O)O4)C)OC2[C@H](O)C1=C)C6O[C@@]7(CCCCO7)CC[C@H]6C
879258 4.511812992 17 3.003714994 7.499540809 4′-phosphopantetheinyl transferase ffp, ATPase family AAA domain-containing protein 5, Aldehyde dehydrogenase 1A1, Bromodomain adjacent to zinc finger domain protein 2B, Chromobox protein homolog 1, DNA polymerase iota, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4A, NotRecorded, Thioredoxin glutathione reductase, Thioredoxin reductase 1- cytoplasmic 11 17 4.495825815 Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCC(=O)O)n5cc(nn5)C(N)[C@H](C)CC
880790 5.317710249 19 3.566955342 6.6748125 Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase beta, Ferritin light chain, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Luciferin 4-monooxygenase, Microtubule-associated protein tau, Muscleblind-like protein 1, Neuropeptide S receptor, NotRecorded, Streptokinase A 10 19 3.107857158 CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4C(=C(NC(=O)C(=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)C)C5=NC6(CCN(CC(C)C)CC6)N=C5c4c3C2=O)O
881511 4.104956058 13 3.39808347 6.996440728 Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, Histone-lysine N-methyltransferase MLL, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4D-like, MAP kinase ERK2, NotRecorded 8 13 3.598357258 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H]([C@@H](C)CC)n4cc(CCCN=C(N)N)nn4)n5cc(CCCN=C(N)N)nn5
881513 4.958028589 14 4.573565334 6.913549554 Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase beta, DNA polymerase iota, DNA polymerase kappa, DNA-(apurinic or apyrimidinic site) lyase, Guanine nucleotide-binding protein G(s)- subunit alpha, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4D-like, MAP kinase ERK2, Muscleblind-like protein 1, NotRecorded 12 14 2.33998422 Cl.C[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCN=C(N)N)nn4)n5cc(CCCN=C(N)N)nn5
882220 4.718270893 9 5.846138716 7.51984375 Cruzipain, DNA polymerase iota, DNA-(apurinic or apyrimidinic site) lyase, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Parathyroid hormone receptor 6 9 1.673705034 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](C(C)C)n4cc(CCO)nn4)n5cc(CCCCN)nn5
883937 5.224179458 16 4.202526655 7.636227679 Aldehyde dehydrogenase 1A1, Chromobox protein homolog 1, Histone-lysine N-methyltransferase MLL, Menin/Histone-lysine N-methyltransferase MLL, Neuropeptide S receptor, NotRecorded 6 16 3.433701023 C[C@@H]1CC2OC3CC4OC(=O)C=C(C)C4O[C@@]3(C)CC2OC5CC[C@@]6(C)O[C@@]7(C)CC8OC9CC%10O[C@@]%11(C)C(O)CC(CC(=C)CO)OC%11CC%10OC9\C=C/C[C@@]8(C)OC7CC6OC15
884425 4.840602085 14 3.267005439 7.134214286 Bromodomain adjacent to zinc finger domain protein 2B, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Thioredoxin glutathione reductase, Thioredoxin reductase 1- cytoplasmic 6 14 3.867208847 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H]([C@@H](C)CC)n4cc(nn4)[C@@H](N)Cc5ccc(O)cc5)n6cc(nn6)[C@@H](N)CO
885768 5.785897513 9 5.638464954 5.948443287 Geminin, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded 3 9 0.309978333 CC(C)(C)OC(=O)CC[C@H](NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)c2oc(nn2)[C@H](Cc3ccc(OC(C)(C)C)cc3)NC(=O)OC(C)(C)C
890405 4.906731065 17 4.319012239 8.3744375 Ataxin-2, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, DNA-(apurinic or apyrimidinic site) lyase, Guanine nucleotide-binding protein G(s)- subunit alpha, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Thioredoxin reductase 1- cytoplasmic, Ubiquitin carboxyl-terminal hydrolase 1 10 17 4.055425261 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc2cc3ccccc3[nH]2)C(=O)N4CCN(CC4)c5nc(NCCOCCOCCOCC#C)nc(n5)N6CCOCC6
890942 5.166692653 14 3.510103599 7.0971875 Bromodomain adjacent to zinc finger domain protein 2B, Ferritin light chain, Lysosomal alpha-glucosidase, MAP kinase ERK2, Microtubule-associated protein tau, Muscleblind-like protein 1, NotRecorded, Putative fructose-1-6-bisphosphate aldolase, Streptokinase A, Thyroid hormone receptor beta-1 10 14 3.587083901 CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)C)c5c(nc6cc(C)ccn56)c4c3C2=O
892044 4.554766649 12 3.771571139 7.51984375 Beta-glucocerebrosidase, Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, DNA polymerase iota, Ferritin light chain, Guanine nucleotide-binding protein G(s)- subunit alpha, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Luciferin 4-monooxygenase, Lysine-specific demethylase 4D-like, NotRecorded, Putative fructose-1-6-bisphosphate aldolase 11 12 3.748272611 Cl.CCCCc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](C(C)C)n5cc(CCO)nn5
897560 5.678345303 38 4.217115146 5.996357143 ATPase family AAA domain-containing protein 5, Ataxin-2, Beta-lactamase AmpC, Chromobox protein homolog 1, DNA polymerase iota, Geminin, Isocitrate dehydrogenase [NADP] cytoplasmic, Lethal(3)malignant brain tumor-like protein 1, Mothers against decapentaplegic homolog 3, Niemann-Pick C1 protein, NotRecorded, Nuclear receptor ROR-gamma, Ras-related protein Rab-9A 13 38 1.779241997 C\C=C(/C)\C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C4[C@@]5(CO[C@@H]5C[C@@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
897585 5.364272901 27 4.565244823 6.88235119 ATPase family AAA domain-containing protein 5, Ataxin-2, Chromobox protein homolog 1, DNA-(apurinic or apyrimidinic site) lyase, Eyes absent homolog 2, Ferritin light chain, Geminin, Guanine nucleotide-binding protein G(s)- subunit alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Niemann-Pick C1 protein, Nonstructural protein 1, NotRecorded, Nuclear receptor ROR-gamma, Ras-related protein Rab-9A 14 27 2.317106368 C\C=C(/C)\C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
899768 5.486155381 25 4.73839476 7.299357143 Ataxin-2, Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, Geminin, Isocitrate dehydrogenase [NADP] cytoplasmic, Nonstructural protein 1, NotRecorded, Nuclear receptor ROR-gamma, Ras-related protein Rab-9A 9 25 2.560962383 CCC(C)C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
900384 5.085678685 31 3.588512631 6.147102103 Aberrant vpr protein, Alpha-synuclein, Heat shock protein beta-1, Nonstructural protein 1, NotRecorded, Streptokinase A 6 31 2.558589472 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O
900430 3.775000659 8 4.357620046 6.0469375 Beta-glucocerebrosidase, Cruzipain, Cytochrome P450 3A4, Inositol monophosphatase 1, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2 7 8 1.689317454 COC(=O)CC1C2(C)CC34OC5(C)O[C@]6(C(OC(=O)C)[C@]3(O)C2OC(=O)C(C)C)C7\C(=C(\O)/C(C)C)\C(=O)OC(c8cocc8)[C@]7(C)C(OC(=O)C)C(OC(=O)C)[C@]6(O5)[C@@]14C
900971 4.981449206 10 4.280366751 7.019298393 Chromobox protein homolog 1, DNA polymerase iota, DNA-(apurinic or apyrimidinic site) lyase, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Thioredoxin reductase 1- cytoplasmic 6 10 2.738931642 Cl.C[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](C)n4cc(CCCN=C(N)N)nn4)n5cc(CCCN=C(N)N)nn5
900972 5.701107591 4 3.238471573 7.4375625 Guanine nucleotide-binding protein G(s)- subunit alpha, NotRecorded 2 4 4.199090927 Cl.CCCCc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)Cn5cc(CCCCN)nn5
900986 5.13457551 12 4.276176757 6.562838914 Aldehyde dehydrogenase 1A1, Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase beta, DNA-(apurinic or apyrimidinic site) lyase, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Muscleblind-like protein 1, NotRecorded, Putative fructose-1-6-bisphosphate aldolase, Tyrosyl-DNA phosphodiesterase 1 10 12 2.286662156 Cl.NC(=NCCCc1cn(CC(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)Cn5cc(CCCN=C(N)N)nn5)nn1)N
904856 5.077242015 5 3.810451258 6.24921875 Beta-lactamase AmpC, DNA-(apurinic or apyrimidinic site) lyase, Glucagon-like peptide 1 receptor, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded 5 5 2.438767492 CC(O)Cc1cn(CC(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)Cn5cc(CC(C)O)nn5)nn1
907532 4.068106036 4 3.737544282 7.72553125 NotRecorded, Ubiquitin carboxyl-terminal hydrolase 2 2 4 3.987986968 COC1C(O)CC(=O)OC(C)C\C=C\C=C\[C@@H](OC2CCC(C(C)O2)N(C)C)C(C)C[C@@H](CC=O)[C@@H]1O[C@H]3OC(C)[C@H](O[C@@H]4C[C@@](C)(O)C(O)C(C)O4)C(C3O)N(C)C
908538 5.840107226 5 3.029300979 6.1891375 Beta-lactamase AmpC, DNA polymerase iota, Isocitrate dehydrogenase [NADP] cytoplasmic, NotRecorded 4 5 3.159836521 CC(=O)OCC1OC(OCc2cn(C[C@H]3CC[C@H](Cn4cc(COC5OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C5OC(=O)C)nn4)O3)nn2)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C
911023 5.362913378 9 4.1620873 7.55221875 DNA polymerase beta, DNA polymerase iota, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Glycoprotein hormones alpha chain, Guanine nucleotide-binding protein G(s)- subunit alpha, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Mothers against decapentaplegic homolog 3, NotRecorded 9 9 3.39013145 Cl.CC(O)Cc1cn(CC(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(CCC(=O)O)nn5)nn1
916415 4.330492297 11 3.329752325 6.288151989 Lysine-specific demethylase 4A, Nonstructural protein 1, NotRecorded, Runt-related transcription factor 1/Core-binding factor subunit beta, Tyrosyl-DNA phosphodiesterase 1 5 11 2.958399664 COC(=O)[C@@H]1C[C@@]23[C@@H](N(C)c4ccc(OC)cc24)C(=C(N=C3N1S(=O)(=O)c5ccc(OC)cc5)C(=O)OC)C(=O)OC
917689 4.623630526 21 3.346770648 6.203857143 Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, DNA polymerase iota, Flap endonuclease 1, Geminin, Guanine nucleotide-binding protein G(s)- subunit alpha, Histone-lysine N-methyltransferase MLL, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4A, NotRecorded, Serine/threonine-protein kinase PLK1, Thioredoxin glutathione reductase, Thioredoxin reductase 1- cytoplasmic 14 21 2.857086495 Cl.CCCCc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](Cc5ccc(O)cc5)n6cc(CCO)nn6
921318 5.319550791 7 5.236666667 7.636227679 Aldehyde dehydrogenase 1A1, NotRecorded 2 7 2.399561012 CC(CO)CC1CC(O)[C@]2(C)OC3CC4OC5C[C@]6(C)O[C@]7(C)CCC8OC9C[C@]%10(C)OC%11C(CC%10OC9C[C@@H](C)C8OC7CC6O[C@]5(C)C\C=C/C4OC3CC2O1)OC(=O)C=C%11C
923527 4.497242637 10 4.645063371 7.21703125 Bromodomain adjacent to zinc finger domain protein 2B, Histone-lysine N-methyltransferase MLL, Lysine-specific demethylase 4A, NotRecorded, Nuclear factor erythroid 2-related factor 2 5 10 2.571967879 Cl.CC[C@H](C)C(C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCC(=O)O)n4cc(nn4)C(N)CC(C)C)n5cc(nn5)C(N)CC(C)C
925978 5.047695601 16 4.570501172 6.546788504 Chromobox protein homolog 1, DNA polymerase iota, Geminin, Glucagon-like peptide 1 receptor, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Rap guanine nucleotide exchange factor 4 8 16 1.976287333 CC(C)(C)OC(=O)CC[C@H](NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)c2oc(nn2)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
931513 4.654523301 8 2.112926092 6.12025 Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, DNA-(apurinic or apyrimidinic site) lyase, Guanine nucleotide-binding protein G(s)- subunit alpha, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Muscleblind-like protein 1, NotRecorded 7 8 4.007323908 Cl.CC(C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCCN)nn4)n5cc(CCO)nn5
933210 4.794104386 16 4.177444269 7.076327344 Aberrant vpr protein, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase eta, DNA polymerase iota, Geminin, Lysine-specific demethylase 4A, Microtubule-associated protein tau, NotRecorded, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 9 16 2.898883075 Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](CCC(=O)O)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCC(=O)O)n5cc(nn5)C(N)[C@H](C)CC
934783 4.970833717 12 4.374345078 8.557558036 4′-phosphopantetheinyl transferase ffp, Beta-glucocerebrosidase, Ferritin light chain, MAP kinase ERK2, Menin/Histone-lysine N-methyltransferase MLL, Muscleblind-like protein 1, Niemann-Pick C1 protein, NotRecorded, Nuclear receptor ROR-gamma 9 12 4.183212958 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
940277 4.916692674 9 4.297336035 6.817982143 ATPase family AAA domain-containing protein 5, Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Thioredoxin glutathione reductase 6 9 2.520646108 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCN=C(N)N)nn4)n5cc(CCCN=C(N)N)nn5
940298 5.888918235 5 3.298244376 6.791625 DNA polymerase iota, Geminin, NotRecorded 3 5 3.493380624 Cl.CC(O)Cc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H]([C@@H](C)O)n5cc(CCCCN)nn5
940480 4.887776777 7 3.974955072 6.180227679 Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase beta, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Thioredoxin glutathione reductase 5 7 2.205272607 Cl.NCCCC[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCC(=O)O)n4cc(nn4)C(N)Cc5ccc(O)cc5)n6cc(nn6)C(N)CO
941465 4.557405596 27 3.948799559 6.55146412 Caspase-1, Caspase-7, Cruzipain, Cytochrome P450 3A4, DNA polymerase kappa, Endoplasmic reticulum-associated amyloid beta-peptide-binding protein, Lysine-specific demethylase 4D-like, Menin/Histone-lysine N-methyltransferase MLL, Microtubule-associated protein tau, NotRecorded, Nuclear receptor ROR-gamma 11 27 2.602664561 CC(=O)OCC1OC(Oc2cc(OC(=O)C)c3C(=O)C=C(Oc3c2)c4ccc(OC(=O)C)c(OC(=O)C)c4)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C
942241 4.924900233 10 3.849125125 6.1815625 Aldehyde dehydrogenase 1A1, Bromodomain adjacent to zinc finger domain protein 2B, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Thioredoxin glutathione reductase, Ubiquitin-conjugating enzyme E2 N 6 10 2.332437375 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(nn4)[C@@H](N)CO)n5cc(nn5)[C@@H](N)Cc6ccc(O)cc6
942643 5.75590097 8 5.52500337 6.234905692 Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Microtubule-associated protein tau, NotRecorded 3 8 0.709902322 CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67C89)C(=O)OC)C1
943930 4.699328713 24 4.255969056 6.439833333 Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase eta, DNA polymerase iota, Envelope glycoprotein gp160, Glycoprotein hormones alpha chain, Histone acetyltransferase GCN5, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Rap guanine nucleotide exchange factor 3, Rap guanine nucleotide exchange factor 4, Serine/threonine-protein kinase PLK1, Vitamin D receptor 14 24 2.183864277 COc1cc(\C=C/2\C(=O)N=C3SC(=NN3C2=N)S(=O)(=O)C)cc(OC)c1OCCOc4cccc(C)c4
947718 4.941513967 22 4.425878732 6.972136905 ATPase family AAA domain-containing protein 5, Ataxin-2, DNA polymerase iota, Ferritin light chain, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(s)- subunit alpha, Menin/Histone-lysine N-methyltransferase MLL, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2, Parathyroid hormone receptor, Rap guanine nucleotide exchange factor 3, Ubiquitin carboxyl-terminal hydrolase 1 13 22 2.546258173 CC(C)(C)OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)c2oc(nn2)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
954198 4.09375 16 4.175255645 7.328183594 Anthrax lethal factor, Cruzipain, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Hypoxia-inducible factor 1 alpha, NotRecorded, Signal transducer and activator of transcription 6, Survival motor neuron protein 11 16 3.152927949 COc1ccc(C[C@H]2N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]3Cc4ccc(O)c(Oc5ccc(cc5)[C@@H](O)[C@H](N(C)C(=O)[C@@H](C)NC2=O)C(=O)N3C)c4)cc1
959085 3.949999891 7 4.512871153 6.6045 Cruzipain, Cytochrome P450 3A4, DNA polymerase kappa, Microtubule-associated protein tau, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2 6 7 2.091628847 CCC(C)C(OC(=O)C)C(=O)OC1C(OC=O)C(C(=C)C2(O)C(=O)CC(c3cocc3)[C@@]12C)[C@@]4(C)C(CC(=O)O[C@@](C)(COC(=O)C)C4CC(=O)OC)OC(=O)C
959300 4.805837498 35 4.402602134 6.676861735 4′-phosphopantetheinyl transferase ffp, ATPase family AAA domain-containing protein 5, Ataxin-2, Beta-glucocerebrosidase, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(s)- subunit alpha, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Huntingtin, Isocitrate dehydrogenase [NADP] cytoplasmic, Lysine-specific demethylase 4D-like, Microtubule-associated protein tau, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Prelamin-A/C, Sphingomyelin phosphodiesterase, Survival motor neuron protein, TAR DNA-binding protein 43 21 35 2.2742596 CC(C)(C)NC(=O)CSc1nc2ccc(Nc3nc(nc(n3)N4CCOCC4)N5CCOCC5)cc2s1
964303 4.505828028 16 3.137965733 6.5244375 Bcl-2-related protein A1, Bromodomain adjacent to zinc finger domain protein 2B, Lysine-specific demethylase 4A, Muscleblind-like protein 1, NotRecorded, Rac GTPase-activating protein 1, Thioredoxin glutathione reductase, Thioredoxin reductase 1- cytoplasmic, Ubiquitin-conjugating enzyme E2 N, Werner syndrome ATP-dependent helicase 10 16 3.386471767 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(nn5)[C@@H](N)CC(C)C
964611 4.964443932 5 4.23458155 6.20484375 Bromodomain adjacent to zinc finger domain protein 2B, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded 3 5 1.9702622 Cl.NCCCC[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](Cc4cc5ccccc5[nH]4)n6cc(nn6)[C@@H](N)CO)n7cc(nn7)[C@@H](N)CO
974787 4.682887465 5 3.087088437 6.77892 Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, NotRecorded 3 5 3.691831563 Cl.CCCCc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(CCC(=O)O)nn5
974788 5.638920341 5 4.130601892 6.6558125 ATPase family AAA domain-containing protein 5, Geminin, NotRecorded 3 5 2.525210608 Cl.NCCCC[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCCN)nn4)n5cc(CCC(=O)O)nn5
977982 5.471223112 36 5.560592464 6.220049283 ATP-dependent DNA helicase Q1, Bloom syndrome protein, Geminin, HERG, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, M-phase phosphoprotein 8, Menin/Histone-lysine N-methyltransferase MLL, Microtubule-associated protein tau, Neuropeptide S receptor, NotRecorded, Peripheral myelin protein 22, Prelamin-A/C, Survival motor neuron protein, Thioredoxin reductase 1- cytoplasmic, Tyrosyl-DNA phosphodiesterase 1 15 36 0.659456819 CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.OS(=O)(=O)O
979358 4.667405799 6 4.060065176 7.034227976 Bromodomain adjacent to zinc finger domain protein 2B, NotRecorded, TAR DNA-binding protein 43 3 6 2.9741628 Cl.CCCCc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H]([C@@H](C)O)n5cc(CCCCN)nn5
979359 4.879030171 16 4.779869077 7.228477455 Bromodomain adjacent to zinc finger domain protein 2B, Cruzipain, DNA polymerase iota, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4D-like, Menin/Histone-lysine N-methyltransferase MLL, Mothers against decapentaplegic homolog 3, NotRecorded, Thioredoxin reductase 1- cytoplasmic, Ubiquitin carboxyl-terminal hydrolase 1 10 16 2.448608378 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](C)n4cc(CCCN=C(N)N)nn4)n5cc(CCCN=C(N)N)nn5
981457 4.540583409 21 4.420150929 6.420689732 Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, Envelope glycoprotein gp160, Geminin, Guanine nucleotide-binding protein G(s)- subunit alpha, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Parathyroid hormone receptor, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Serine/threonine-protein kinase PLK1, Vitamin D receptor 12 21 2.000538803 COc1cc(\C=C/2\C(=O)N=C3SC(=NN3C2=N)S(=O)(=O)C)cc(OC)c1OCCOc4ccc(C)cc4
988097 4.366666196 6 3.459864667 6.24921875 Beta-lactamase AmpC, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, DNA-(apurinic or apyrimidinic site) lyase, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3 5 6 2.789354083 CC(C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCO)nn4)n5cc(CCO)nn5
996450 4.573578218 17 3.457022542 7.135420956 ATPase family AAA domain-containing protein 5, Bromodomain adjacent to zinc finger domain protein 2B, Chromobox protein homolog 1, DNA polymerase iota, Glutaminase kidney isoform- mitochondrial, Lethal(3)malignant brain tumor-like protein 1, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, Muscleblind-like protein 1, NotRecorded 10 17 3.678398414 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](Cc4ccc(O)cc4)n5cc(nn5)[C@@H](N)C(C)CC)n6cc(nn6)[C@@H](N)CO
997270 5.204655854 8 2.646602635 7.92525 Beta-lactamase AmpC, DNA-(apurinic or apyrimidinic site) lyase, Lysine-specific demethylase 4A, NotRecorded, Ubiquitin-conjugating enzyme E2 N 5 8 5.278647365 NCCCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCOCC4
998962 4.923691263 5 4.302660413 6.732904643 Beta-lactamase AmpC, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded 5 5 2.43024423 Cl.C[C@@H](O)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](C)n4cc(CCCN=C(N)N)nn4)n5cc(CCCCN)nn5
1005809 5.003564069 14 3.449991201 6.791625 Bromodomain adjacent to zinc finger domain protein 2B, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, Mothers against decapentaplegic homolog 3, NotRecorded 7 14 3.341633799 Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](CCC(=O)O)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)C([C@@H](C)CC)n5cc(nn5)C(N)CC(C)C
1006844 4.744605277 14 3.779361585 8.17003125 Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Regulator of G-protein signaling 4, Serine/threonine-protein kinase PLK1 5 14 4.390669665 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc2ccc(O)cc2)C(=O)N3CCN(CC3)c4nc(NCCOCCOCCOCC#C)nc(n4)N5CCOCC5
1013605 4.758345819 7 5.961816431 7.015833036 ATPase family AAA domain-containing protein 5, NotRecorded, Thioredoxin glutathione reductase, Thioredoxin reductase 1- cytoplasmic, Ubiquitin carboxyl-terminal hydrolase 1 5 7 1.054016604 Cl.C[C@@H](O)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCN=C(N)N)nn4)n5cc(CCCCN)nn5
1013606 4.821686033 5 3.361954584 7.12875375 DNA polymerase iota, Geminin, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1 4 5 3.766799166 Cl.CC(O)Cc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(CC(C)O)nn5
1015948 4.702458266 14 5.354795845 7.751166667 Arachidonate 15-lipoxygenase, Cellular tumor antigen p53, Cytochrome P450 3A4, Geminin, Lysine-specific demethylase 4D-like, MAP kinase ERK2, Microtubule-associated protein tau, NotRecorded, Peripheral myelin protein 22, Ubiquitin carboxyl-terminal hydrolase 2 10 14 2.396370821 CC[C@@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7[C@](O)(C(OC(=O)C)[C@]8(CC)C=CCN9CC[C@@]67C89)C(=O)OC)C1.OS(=O)(=O)O
1016236 4.360202314 12 3.603009248 6.6045 Cruzipain, Cytochrome P450 3A4, MAP kinase ERK2, NotRecorded, Survival motor neuron protein, Ubiquitin carboxyl-terminal hydrolase 2 6 12 3.001490752 CCC(C)C(O)C(=O)OC1C(OC=O)C(C(=C)C2(O)C(=O)CC(c3cocc3)[C@@]12C)[C@@]4(C)C(CC(=O)O[C@@](C)(COC(=O)C)C4CC(=O)OC)OC(=O)C
1016485 3.91923057 13 2.58825213 6.163894231 Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, DNA-(apurinic or apyrimidinic site) lyase, Ferritin light chain, Menin/Histone-lysine N-methyltransferase MLL 8 13 3.575642101 CC(=O)OC[C@@H]1O[C@@H](O\N=C/2\C[C@@H](O)[C@@H](O)[C@H]3[C@H]2CC[C@H]4[C@H]3C(=O)N(Cc5ccc6OCOc6c5)C4=O)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C
1017883 4.604224615 14 4.591726532 6.6748125 Cruzipain, Ferritin light chain, Geminin, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Nuclear receptor ROR-gamma, Peripheral myelin protein 22, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2 9 14 2.083085968 CCC(C)C1O[C@@]2(CC3CC(C\C=C(/C)\[C@H](OC4CC(OC)C(O[C@H]5CC(OC)[C@@H](O)C(C)O5)C(C)O4)[C@@H](C)\C=C\C=C\6/COC7C(O)C(=C[C@H](C(=O)O3)[C@@]67O)C)O2)C=CC1C
1018063 5.268448679 5 2.814617893 7.052499286 Beta-lactamase AmpC, DNA-(apurinic or apyrimidinic site) lyase, Geminin, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1 5 5 4.237881392 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](C)n4cc(CCCN=C(N)N)nn4)n5cc(CCCCN)nn5
1020272 4.990294069 13 4.198483484 5.794495192 15-hydroxyprostaglandin dehydrogenase [NAD+], Aldehyde dehydrogenase 1A1, Bloom syndrome protein, Endonuclease 4, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Lysine-specific demethylase 4D-like, M-phase phosphoprotein 8, NotRecorded, Prelamin-A/C, Survival motor neuron protein, Thioredoxin reductase 1- cytoplasmic, Tyrosyl-DNA phosphodiesterase 1 12 13 1.596011708 [Na+].NC(=S)c1ccc[n+](c1)[C@@H]2O[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@H]([C@H](OP(=O)(O)[O-])[C@H]3O)n4cnc5c(N)ncnc45)C(O)C2O
1021705 5.162543584 23 3.251515716 5.771717663 Ataxin-2, Beta-lactamase AmpC, DNA dC->dU-editing enzyme APOBEC-3F, DNA dC->dU-editing enzyme APOBEC-3G, DNA polymerase eta, DNA polymerase iota, Ferritin light chain, Geminin, Glucagon-like peptide 1 receptor, Glutaminase kidney isoform- mitochondrial, Isocitrate dehydrogenase [NADP] cytoplasmic, Niemann-Pick C1 protein, Nonstructural protein 1, NotRecorded, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 15 23 2.520201948 CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC3OCC(O)C(O)C3O)[C@]4(C)C2[C@H](OC(=O)c5ccccc5)[C@]6(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C([C@@H](O)C4=O)C6(C)C)C
1023562 6.02005964 4 3.652670455 8.317873512 NotRecorded, Nuclear receptor ROR-gamma 2 4 4.665203057 CO[C@H]1[C@@H](O)CC(OC2[C@@H](O)CC(OC3[C@@H](O)C[C@H](OC4CC[C@@]5(C)C(CCC6C5CC(O)[C@]7(C)[C@@H](CCC67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C
1031768 4.659665221 16 3.628094811 7.147035156 78 kDa glucose-regulated protein, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, Geminin, Lethal(3)malignant brain tumor-like protein 1, Lysine-specific demethylase 4A, Menin/Histone-lysine N-methyltransferase MLL, Muscleblind-like protein 1, NotRecorded 9 16 3.518940346 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](Cc4ccc(O)cc4)n5cc(nn5)[C@@H](N)CC(C)C)n6cc(nn6)[C@@H](N)CO
1032651 4.664331483 8 3.521475151 6.6045 4′-phosphopantetheinyl transferase ffp, DNA polymerase kappa, Ferritin light chain, NotRecorded, Tyrosyl-DNA phosphodiesterase 1 5 8 3.083024849 CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)c1ccccc1OCCOc2ccccc2N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C
1034013 4.692319457 26 4.865407599 6.222828869 ATP-dependent DNA helicase Q1, Anthrax lethal factor, Arachidonate 15-lipoxygenase, CREB-binding protein, Cellular tumor antigen p53, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Nuclear receptor ROR-gamma 13 26 1.357421271 CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@@](O)([C@@H](C(=O)OC)[C@@]8(CC)C=CCN9CC[C@@]67[C@H]89)C(=O)OC)C1
1037572 6.024715551 9 4.827117534 6.164482143 Microtubule-associated protein tau, NotRecorded, Nuclear receptor ROR-gamma 3 9 1.337364609 CC(CC(O)C1OC2CCC3(CCC(O3)\C=C\C(C)C4CC(=CC5(OC(CC(C)(O)C(=O)O)CCC5O)O4)C)OC2C(O)C1=C)C6OC7(CCCCO7)CCC6C
1050366 5.808830029 11 5.607578467 4.446006392 NotRecorded, Tubulin, Tubulin beta chain 3 11 -1.161572075 CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3C[C@H](O)c2cc1O
1050526 4.313416546 11 4.317854137 3.943590909 NotRecorded, Tubulin 2 11 -0.374263228 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(cc34)C#N)[C@@H]1CC[C@@H]2O
1050530 4.895162489 11 4.885178738 3.27199513 NotRecorded, Tubulin 2 11 -1.613183608 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(OCCO)cc34)[C@@H]1CC[C@@H]2O
1050880 5.811871652 11 6.041323522 3.305998377 NotRecorded, Tubulin 2 11 -2.735325145 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(\C=C\CO)cc34)[C@@H]1CC[C@@H]2O
1055873 5.799918125 10 5.355935116 5.69143547 NotRecorded 1 10 0.335500354 CC(C)C[C@H](NC(=O)CC(NC(=O)C[C@@H]1CCCc2ccccc12)c3cccc(F)c3)B(O)O
1058701 3.641816286 361 4.730707403 7.081486014 NotRecorded 1 361 2.350778611 CCC(=O)N(C)c1ccc(Nc2nc(NC3CCCN(C3)C(=O)C=C)c4nc[nH]c4n2)cc1
1063717 8.24875 8 7.185788674 7.20659375 NotRecorded 1 8 0.020805076 COc1cc(OC)c2c(O[C@]3([C@@H]([C@H]([C@@H](O)[C@@]23O)C(=O)N(C)C)c4ccccc4)c5ccc(Br)cc5)c1
1063722 7.72 8 5.782021795 6.59740625 NotRecorded 1 8 0.815384455 COc1ccc2c(O[C@]3([C@@H]([C@H]([C@@H](O)[C@@]23O)C(=O)N(C)C)c4ccccc4)c5ccc(Br)cc5)c1
1064079 6.61791732 34 4.419312453 5.052949081 NotRecorded, Sodium/potassium-transporting ATPase 2 34 0.633636628 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2
1064110 7.504740293 119 5.364245526 7.67721218 NotRecorded, Sodium/potassium-transporting ATPase 2 119 2.312966654 C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@H]1O
1064522 4.751701748 7 5.678801922 6.700525 NotRecorded, Solute carrier organic anion transporter family member 1B1, Solute carrier organic anion transporter family member 1B3 3 7 1.021723078 CO[C@H]1C[C@H](O[C@H]2CC[C@]3(OC)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)O[C@H](C)[C@H]1O
1068079 5 8 5.533537903 6.821623512 NotRecorded 1 8 1.288085609 COC(=O)CCC(=O)OCC1=C2[C@H](O)C3[C@](O)(COC(=O)\C(=C\C)\C)[C@H]4C[C@H]4[C@]3(C)[C@@H]5CC6=C7[C@H](\C(=C(/C)\C(=O)OC)\C(=O)[C@H](O)[C@@]7(C)[C@@H]8C[C@H]68)[C@]25OC1=O
1068908 5.085408674 33 3.712213004 8.27778125 Cytochrome P450 3A4, HERG, Histone acetyltransferase GCN5, NotRecorded 4 33 4.565568246 CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(CC(C)C(=O)C(C)C(O)C1(C)O)OC
1073671 9.34 7 5.060243494 7.135696429 NotRecorded 1 7 2.075452935 CO[C@H]1[C@@H](CCN2CCOCC2)O[C@H]3C[C@H]4O[C@@H](CC[C@@H]5O[C@@H](CC[C@@]67C[C@H]8O[C@@H]9[C@@H](O[C@H]%10CC[C@H](CC(=O)C[C@H]13)O[C@@H]%10[C@@H]9O6)[C@H]8O7)CC5=C)C[C@@H](C)C4=C
1073676 8.494479068 8 5.635717672 8.19503125 NotRecorded 1 8 2.559313578 CO[C@H]1[C@@H](CC(=O)CN2CCOCC2)O[C@H]3C[C@H]4O[C@@H](CC[C@@H]5O[C@@H](CC[C@@]67C[C@H]8O[C@@H]9[C@@H](O[C@H]%10CC[C@H](CC(=O)C[C@H]13)O[C@@H]%10[C@@H]9O6)[C@H]8O7)CC5=C)C[C@@H](C)C4=C
1073679 7.933325671 10 5.577451735 7.636227679 NotRecorded 1 10 2.058775944 CO[C@@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@@H]2[C@H]1OC)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C)CN%10CCOCC%10
1073681 9.485 8 6.124438593 6.161508929 NotRecorded 1 8 0.037070336 CO[C@@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@@H]2[C@H]1OC)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C)CN(C)CC#C
1073718 8.3725 4 5.061750831 6.45634375 NotRecorded 1 4 1.394592919 CO[C@H]1[C@@H](CCN)O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@H]12)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C
1073721 9.2275 4 5.675749478 8.19503125 NotRecorded 1 4 2.519281772 CO[C@H]1[C@@H](C[C@H](O)CN2CCOCC2)O[C@H]3C[C@H]4O[C@@H](CC[C@@H]5O[C@@H](CC[C@@]67C[C@H]8O[C@@H]9[C@@H](O[C@H]%10CC[C@H](CC(=O)C[C@H]13)O[C@@H]%10[C@@H]9O6)[C@H]8O7)CC5=C)C[C@@H](C)C4=C
1073724 9.355 4 5.934593645 6.372098214 NotRecorded 1 4 0.43750457 CO[C@@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@@H]2[C@H]1OC)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C)CN%10CC%10C
1073725 9.26 4 5.934593645 6.372098214 NotRecorded 1 4 0.43750457 CO[C@@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@@H]2[C@H]1OC)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C)CN%10C[C@@H]%10C
1073726 9.185 4 5.934593645 6.372098214 NotRecorded 1 4 0.43750457 CO[C@@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@@H]2[C@H]1OC)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C)CN%10C[C@H]%10C
1073727 8.53 4 7.305743769 6.8669375 NotRecorded 1 4 -0.438806269 CO[C@@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@@H]2[C@H]1OC)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C)CN%10CCN(CC%10)S(=O)(=O)c%11ccc(C)cc%11
1073729 9.63 4 7.296183501 6.77459375 NotRecorded 1 4 -0.521589751 CO[C@@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@@H]2[C@H]1OC)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C)CN%10CCN(CC%10)C(F)(F)F
1073731 8.2725 4 6.344835272 6.76525 NotRecorded 1 4 0.420414728 CO[C@@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@@H]2[C@H]1OC)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C)CN(C)c%10ncccn%10
1073732 9.6225 4 6.289004602 6.446388393 NotRecorded 1 4 0.15738379 CO[C@@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@@H]2[C@H]1OC)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C)CN(CC#C)CC#C
1078487 6.038410846 33 4.161045439 7.56065625 Androgen Receptor, NotRecorded 2 33 3.399610811 Cl.CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5[C@H]1C(=O)OC
1078592 6.405335103 28 2.885625 8.317873512 Androgen Receptor, NotRecorded 2 28 5.432248512 CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C
1080296 5.169219547 26 5.262777569 6.73921875 Ataxin-2, DNA dC->dU-editing enzyme APOBEC-3F, Geminin, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(s)- subunit alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2, Parathyroid hormone receptor 10 26 1.476441181 CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C6CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2
1080867 5.482296903 11 4.295489633 7.124978977 Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Lysine-specific demethylase 4A, NotRecorded 6 11 2.829489345 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(nn4)[C@@H](N)CC(C)C)n5cc(nn5)[C@@H](N)CC(C)C
1081300 5.727309862 26 3.214438106 7.599198558 ATP-dependent Clp protease proteolytic subunit, Aberrant vpr protein, Alpha-synuclein, Ataxin-2, Chromobox protein homolog 1, Geminin, Isocitrate dehydrogenase [NADP] cytoplasmic, NotRecorded, Nuclear factor erythroid 2-related factor 2, Paired box protein Pax-8, Protein skinhead-1, Regulator of G-protein signaling 4, TAR DNA-binding protein 43, Transcriptional regulator ERG 14 26 4.384760452 COC(=O)C12OCC34C(CC5C(=C(O)C(=O)CC5(C)C3C(O)C1O)C)OC(=O)C(OC(=O)\C=C(/C)\C(C)C)C24
1081866 4.493221451 10 3.295806477 7.213055 Bromodomain adjacent to zinc finger domain protein 2B, Chromobox protein homolog 1, Guanine nucleotide-binding protein G(s)- subunit alpha, Lysine-specific demethylase 4A, NotRecorded 5 10 3.917248523 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(nn4)[C@@H](N)CC(C)C)n5cc(nn5)[C@@H](N)CO
1082358 5.474798117 9 5.27457493 8.4185 ATPase family AAA domain-containing protein 5, Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, NotRecorded, Nuclear factor erythroid 2-related factor 2 5 9 3.14392507 CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCOCC3)n4cc(CCO)nn4
1085751 4.774371667 7 3.632820554 6.817982143 Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, DNA repair protein RAD52 homolog, Geminin, NotRecorded 5 7 3.185161589 Cl.CCCCc1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)Cn5cc(CCCN=C(N)N)nn5
1088937 4.634107326 6 3.588822875 6.997763542 Bromodomain adjacent to zinc finger domain protein 2B, DNA polymerase iota, Geminin, NotRecorded 4 6 3.408940667 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(CC(C)O)nn4)n5cc(CCCCN)nn5
1089670 5.063697793 6 4.745081891 6.880349851 Bromodomain adjacent to zinc finger domain protein 2B, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded 3 6 2.13526796 Cl.C[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCCN)nn4)n5cc(CCCN=C(N)N)nn5
1089832 4.850073083 9 4.355001849 7.234552282 Bromodomain adjacent to zinc finger domain protein 2B, DNA-(apurinic or apyrimidinic site) lyase, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1 6 9 2.879550433 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H]([C@@H](C)O)n4cc(CCCCN)nn4)n5cc(CCCN=C(N)N)nn5
1090187 4.946549345 8 3.95825931 5.835994792 ATP-dependent Clp protease proteolytic subunit, Lysine-specific demethylase 4A, NotRecorded, TAR DNA-binding protein 43 4 8 1.877735482 Cc1cccc(NC(=O)c2[nH]cnc2C(=O)NCCN(CCNC(=O)c3nc[nH]c3C(=O)Nc4cccc(C)c4)CCNC(=O)c5nc[nH]c5C(=O)Nc6cccc(C)c6)c1
1090285 4.452709987 7 3.943295004 7.4259375 Bcl-2-related protein A1, Chromobox protein homolog 1, NotRecorded, Thioredoxin reductase 1- cytoplasmic, Ubiquitin-conjugating enzyme E2 N 5 7 3.482642496 CC[C@@H](C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(nn5)[C@@H](N)CC(=O)N
1092129 4.498621226 10 4.170274538 7.313375 Chromobox protein homolog 1, DNA polymerase iota, Guanine nucleotide-binding protein G(s)- subunit alpha, Lysine-specific demethylase 4A, NotRecorded, Nuclear factor erythroid 2-related factor 2, Parathyroid hormone receptor 7 10 3.143100462 NCCCC[C@H](N)c1cn(nn1)[C@@H](CCC(=O)O)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CC(=O)N)n5cc(nn5)[C@@H](N)CC(=O)N
1098126 4.648547205 13 4.29622596 7.766524124 Alpha-synuclein, Geminin, Lysine-specific demethylase 4A, Nonstructural protein 1, NotRecorded, Transcription factor SKN7 6 13 3.470298165 CN1CCN(CC1)C2CCN(CC2)c3ccc(Nc4nnc(Cl)c(Nc5ccccc5S(=O)(=O)C)n4)c(OC(CF)CF)c3
1098860 4.78252598 11 4.660267243 7.4259375 ATPase family AAA domain-containing protein 5, DNA polymerase iota, Lysine-specific demethylase 4A, NotRecorded, Thioredoxin reductase 1- cytoplasmic, Ubiquitin-conjugating enzyme E2 N 6 11 2.765670257 CC[C@H](C)C(N)c1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CC(=O)N)n5cc(nn5)[C@@H](N)CC(=O)N
1099783 4.598030988 7 3.441179986 7.21703125 Aberrant vpr protein, Bromodomain adjacent to zinc finger domain protein 2B, Geminin, Lysine-specific demethylase 4A 4 7 3.775851264 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(nn4)[C@@H](N)CO)n5cc(nn5)[C@@H](N)CC(C)C
1101373 4.605025859 7 4.479268272 7.4259375 DNA polymerase iota, Geminin, Lysine-specific demethylase 4A, NotRecorded, Ubiquitin-conjugating enzyme E2 N 5 7 2.946669228 CC[C@H](C)C(N)c1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(nn5)[C@@H](N)CC(=O)N
1101607 5.609239158 31 5.431815987 5.842066964 ATPase family AAA domain-containing protein 5, Ataxin-2, DNA dC->dU-editing enzyme APOBEC-3F, DNA polymerase iota, Geminin, Glucagon-like peptide 1 receptor, Glycoprotein hormones alpha chain, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2 11 31 0.410250977 CC(CC(O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\C(C)[C@@H]4CC(=CC5(O[C@H](C[C@@](C)(O)CO)CCC5O)O4)C)O[C@H]2C(O)C1=C)[C@H]6OC7(CCCCO7)CCC6C
1102000 4.468734045 9 3.473005613 7.212613194 ATPase family AAA domain-containing protein 5, Bromodomain adjacent to zinc finger domain protein 2B, Chromobox protein homolog 1, Lysine-specific demethylase 4A, NotRecorded 5 9 3.739607581 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(nn4)[C@@H](N)C(C)CC)n5cc(nn5)[C@@H](N)CO
1102194 4.491709642 9 3.266338682 6.967364782 Bcl-2-related protein A1, Bromodomain adjacent to zinc finger domain protein 2B, NotRecorded, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Rac GTPase-activating protein 1, Ubiquitin-conjugating enzyme E2 N 6 9 3.7010261 Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(nn5)[C@@H](N)CC(C)C
1104017 4.975681775 16 3.41524062 5.946183315 ATP-dependent Clp protease proteolytic subunit, DNA polymerase iota, DNA topoisomerase, Geminin, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2 7 16 2.530942694 Clc1ccc(NC(=O)c2[nH]cnc2C(=O)NCCN(CCNC(=O)c3nc[nH]c3C(=O)Nc4ccc(Cl)cc4)CCNC(=O)c5nc[nH]c5C(=O)Nc6ccc(Cl)cc6)cc1
1105681 4.781480329 12 4.552696268 7.4259375 ATPase family AAA domain-containing protein 5, Bcl-2-related protein A1, DNA polymerase iota, Guanine nucleotide-binding protein G(s)- subunit alpha, Lysine-specific demethylase 4A, NotRecorded, Rap guanine nucleotide exchange factor 3, Ubiquitin-conjugating enzyme E2 N 8 12 2.873241232 CC[C@H](C)C(N)c1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)C([C@@H](C)O)n5cc(nn5)[C@@H](N)CCCCN
1108026 5.644484884 8 4.356462472 7.150562612 Bromodomain adjacent to zinc finger domain protein 2B, Geminin, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded 4 8 2.79410014 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CC(C)O)nn4)n5cc(CCCN=C(N)N)nn5
1109228 6.34065774 33 4.166224954 6.164482143 ATPase family AAA domain-containing protein 5, Aberrant vpr protein, Alpha-synuclein, Ataxin-2, Cellular tumor antigen p53, DNA polymerase iota, Geminin, Guanine nucleotide-binding protein G(s)- subunit alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2 12 33 1.998257189 CC(CC(O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\C(C)[C@@H]4CC(=CC5(O[C@H](C[C@@](C)(O)C(=O)O)CCC5O)O4)C)O[C@H]2C(O)C1=C)[C@H]6OC7(CCCCO7)CCC6C
1110355 4.582884495 12 4.539999843 7.313375 ATPase family AAA domain-containing protein 5, Bcl-2-related protein A1, Chromobox protein homolog 1, DNA polymerase iota, Geminin, Lysine-specific demethylase 4A, NotRecorded, Ubiquitin-conjugating enzyme E2 N 8 12 2.773375157 NCCCC[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(nn4)[C@@H](N)CC(=O)N)n5cc(nn5)[C@@H](N)CC(=O)N
1112805 5.831069752 23 4.332382694 6.856151786 ATPase family AAA domain-containing protein 5, Ataxin-2, Geminin, Glucagon-like peptide 1 receptor, Glycoprotein hormones alpha chain, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2, TAR DNA-binding protein 43 10 23 2.523769091 COC(=O)[C@](C)(O)C[C@@H]1CC[C@@H](O)C2(O1)O[C@@H](CC(=C2)C)[C@H](C)\C=C\[C@H]3CC[C@@]4(CC[C@H]5O[C@H]([C@@H](O)C[C@H](C)[C@H]6OC7(CCCCO7)CC[C@H]6C)C(=C)[C@@H](O)[C@@H]5O4)O3
1114844 4.785923438 12 2.894640687 6.2964375 ATPase family AAA domain-containing protein 5, Bcl-2-related protein A1, DNA polymerase iota, NotRecorded, Rap guanine nucleotide exchange factor 3, Ubiquitin-conjugating enzyme E2 N 6 12 3.401796813 CC[C@@H](C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCN=C(N)N)n5cc(nn5)C(N)[C@@H](C)CC
1115227 6.079483646 16 5.050678703 6.0115 ATP-dependent Clp protease proteolytic subunit, Ataxin-2, Geminin, Guanine nucleotide-binding protein G(s)- subunit alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2, Nuclear receptor subfamily 0 group B member 1 9 16 0.960821297 CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)C7C(O)(C(OC(=O)C)C8(CC)C=CCN9CCC67C89)C(=O)OC)C1.OS(=O)(=O)O
1115619 4.576995894 10 3.950988498 7.4259375 Geminin, Lysine-specific demethylase 4A, NotRecorded, Thioredoxin reductase 1- cytoplasmic, Ubiquitin-conjugating enzyme E2 N 5 10 3.474949002 CC[C@@H](C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCC(=O)O)n5cc(nn5)[C@@H](N)CCCCN
1115997 5.247370981 5 3.769637152 9.10815625 Ataxin-2, Geminin, NotRecorded 3 5 5.338519098 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCOCC3)n4cc(nn4)[C@@H](N)Cc5ccc(O)cc5
1116154 4.910529908 13 3.847654454 8.4739375 ATPase family AAA domain-containing protein 5, Ataxin-2, DNA polymerase iota, Guanine nucleotide-binding protein G(s)- subunit alpha, Mothers against decapentaplegic homolog 3, NotRecorded, Parathyroid hormone receptor, Regulator of G-protein signaling 4, Ubiquitin carboxyl-terminal hydrolase 1 9 13 4.626283046 CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCOCC4
1140321 5.731844473 13 5.97548326 5.023392834 DNA topoisomerase I, DNA topoisomerase II alpha, NotRecorded 3 13 -0.952090425 Cc1ccc(cc1C)c2c3C(=O)NC(=O)Nc3nc4c5ccccc5C(=O)c24
1140401 5.400781748 5 4.791180082 6.623114167 NotRecorded 1 5 1.831934084 CCOC1=C[C@@H]2C(=CC[C@H]3[C@]4(C)C[C@@H](O)[C@H]([C@@](C)(O)C(=O)\C=C\C(C)(C)O)[C@@]4(C)CC(=O)[C@@]23C)C(C)(C)C1=O
1140405 5.253027852 6 3.320473391 6.606764583 NotRecorded 1 6 3.286291192 CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
1140406 5.423027852 6 4.752775586 5.417606399 NotRecorded 1 6 0.664830813 COC1=C[C@@H]2C(=CC[C@H]3[C@]4(C)C[C@@H](O)[C@H]([C@@](C)(O)C(=O)\C=C\C(C)(C)O)[C@@]4(C)CC(=O)[C@@]23C)C(C)(C)C1=O
1140421 7.009764491 8 3.326020833 6.365008929 NotRecorded 1 8 3.038988095 C[C@H]1C[C@@H](C)\C=C(/C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c4ccc(O)cc4
1140422 7.321321342 8 4.090396504 6.36653125 NotRecorded 1 8 2.276134746 C[C@H]1C[C@@H](C)\C=C(/C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c4ccc(O)cc4
1140428 6.106342595 15 2.366854509 5.95871875 NotRecorded 1 15 3.591864241 C[C@H]1C[C@@H](C)\C=C(/C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c4ccc(O)c(O)c4
1142558 5 7 7.578037723 7.49378125 NotRecorded 1 7 -0.084256473 COc1ccc(cc1)C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3CO[C@@H](O[C@H]4CC([C@H](C)C(=O)CC[C@@H](C)CO)[C@@]5(C)CC[C@H]6[C@@H](CC[C@H]7C[C@@H](O)CC[C@]67C)[C@H]45)[C@H](OC(=O)C)[C@H]3O
1142559 5 7 7.578037723 7.49378125 NotRecorded 1 7 -0.084256473 COc1ccc(cc1)C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3[C@@H](O)CO[C@@H](O[C@H]4CC([C@H](C)C(=O)CC[C@@H](C)CO)[C@@]5(C)CC[C@H]6[C@@H](CC[C@H]7C[C@@H](O)CC[C@]67C)[C@H]45)[C@@H]3OC(=O)C
1142562 5 7 7.578037723 7.49378125 NotRecorded 1 7 -0.084256473 COc1ccc(cc1)C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3CO[C@@H](O[C@@H]4CC([C@H](C)C(=O)CC[C@@H](C)CO)[C@@]5(C)CC[C@H]6[C@@H](CC[C@H]7C[C@@H](O)CC[C@]67C)[C@H]45)[C@H](OC(=O)C)[C@H]3O
1142563 6.494285714 7 7.505761673 7.49378125 NotRecorded 1 7 -0.011980423 COc1ccc(cc1)C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3[C@@H](O)CO[C@@H](O[C@@H]4CC([C@H](C)C(=O)CC[C@@H](C)CO)[C@@]5(C)CC[C@H]6[C@@H](CC[C@H]7C[C@@H](O)CC[C@]67C)[C@H]45)[C@@H]3OC(=O)C
1143259 8.256369864 7 6.925982772 5.961107143 NotRecorded 1 7 -0.964875629 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](CC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C(F)F)c6ccc(F)cc6)C(=C([C@@H](O)C3=O)C5(C)C)C
1147921 7.948 5 7.123094228 6.360044643 NotRecorded 1 5 -0.763049585 COc1ccc(cc1)C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3[C@@H](O)CO[C@@H](O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@H]4[C@H](C)CCC[C@@H](C)CO)[C@@H]3OC(=O)C
1147923 6.862 5 5.864123419 6.0420625 NotRecorded 1 5 0.177939081 COc1ccc(cc1)C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3[C@@H](O)CO[C@@H](O[C@H]4C=C5C[C@@H](O)CC[C@]5(C)[C@H]6CC[C@@]7(C)[C@@H](C[C@H](O)[C@@H]7[C@H](C)CCC[C@@H](C)CO)[C@H]46)[C@@H]3OC(=O)C
1150389 5.43 4 5.133712643 5.605604729 NotRecorded 1 4 0.471892086 CC(C)C[C@H](NC(=O)CC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)NCc1ccc2ccccc2c1)B(O)O
1150390 5.48 4 5.292725219 5.966895752 NotRecorded 1 4 0.674170533 CC(C)C[C@H](NC(=O)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)NCc1ccc2ccccc2c1)B(O)O
1150391 5.5025 4 5.340851357 6.521450812 NotRecorded 1 4 1.180599455 CC(C)C[C@H](NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc2ccc3ccccc3c2)B(O)O
1150393 5.14 4 5.09240426 5.485175807 NotRecorded 1 4 0.392771547 CC(C)C[C@H](NC(=O)CCC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCc1ccc2ccccc2c1)B(O)O
1164346 3.245136002 5 6.338987052 7.6456875 NotRecorded 1 5 1.306700448 COC(=O)[C@@H]1CCCN1C(=O)C2=C(C)NC(=S)NC2c3cccc(OCCCOc4cccc(c4)C5NC(=S)NC(=C5C(=O)N6CCC[C@H]6C(=O)OC)C)c3
1164347 3.30510346 5 6.085340816 8.32790625 NotRecorded 1 5 2.242565434 COC(=O)[C@@H]1CCCN1C(=O)C2=C(C)NC(=S)NC2c3cccc(OCCCCOc4cccc(c4)C5NC(=S)NC(=C5C(=O)N6CCC[C@H]6C(=O)OC)C)c3
1164348 3.488517498 5 5.695573983 5.920584821 NotRecorded 1 5 0.225010838 COC(=O)[C@@H]1CCCN1C(=O)C2=C(C)NC(=S)NC2c3cccc(OCCCCCOc4cccc(c4)C5NC(=S)NC(=C5C(=O)N6CCC[C@H]6C(=O)OC)C)c3
1164350 3.460561855 5 6.085340816 8.38890625 NotRecorded 1 5 2.303565434 COC(=O)[C@@H]1CCCN1C(=O)C2=C(C)NC(=S)NC2c3cccc(OC\C=C\COc4cccc(c4)C5NC(=S)NC(=C5C(=O)N6CCC[C@H]6C(=O)OC)C)c3
1164416 3.341773478 5 6.338987052 7.13565625 NotRecorded 1 5 0.796669198 COC(=O)[C@@H]1CCCN1C(=O)C2=C(C)NC(=S)NC2c3ccc(OCCCOc4ccc(cc4OC)C5NC(=S)NC(=C5C(=O)N6CCC[C@H]6C(=O)OC)C)c(OC)c3
1164417 3.259269736 5 6.085340816 7.686375 NotRecorded 1 5 1.601034184 COC(=O)[C@@H]1CCCN1C(=O)C2=C(C)NC(=S)NC2c3ccc(OCCCCOc4ccc(cc4OC)C5NC(=S)NC(=C5C(=O)N6CCC[C@H]6C(=O)OC)C)c(OC)c3
1164418 3.42517748 5 5.872757483 6.623364583 NotRecorded 1 5 0.7506071 COC(=O)[C@@H]1CCCN1C(=O)C2=C(C)NC(=S)NC2c3ccc(OCCCCCOc4ccc(cc4OC)C5NC(=S)NC(=C5C(=O)N6CCC[C@H]6C(=O)OC)C)c(OC)c3
1164419 3.236798115 5 6.090862052 7.686375 NotRecorded 1 5 1.595512948 COC(=O)[C@@H]1CCCN1C(=O)C2=C(C)NC(=S)NC2c3ccc(OC\C=C/COc4ccc(cc4OC)C5NC(=S)NC(=C5C(=O)N6CCC[C@H]6C(=O)OC)C)c(OC)c3
1164420 3.588880672 5 6.031448091 7.686375 NotRecorded 1 5 1.654926909 COC(=O)[C@@H]1CCCN1C(=O)C2=C(C)NC(=S)NC2c3ccc(OC\C=C\COc4ccc(cc4OC)C5NC(=S)NC(=C5C(=O)N6CCC[C@H]6C(=O)OC)C)c(OC)c3
1166671 6.845 4 3.558684839 6.807671875 NotRecorded 1 4 3.248987036 OC[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c3c(O)c4OCOc4cc3[C@@H]12
1168097 3.115652966 5 3.215036939 6.51340625 NotRecorded 1 5 3.298369311 CC(=O)OC[C@@]12[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@@]15O[C@@]3(C)COC(=O)c6cccnc6CC[C@](C)(OC(=O)C)C(=O)O[C@@H]([C@H](OC(=O)C)[C@@H]2OC(=O)C)[C@]5(C)O
1168100 3.071839412 5 3.25448292 6.51340625 NotRecorded 1 5 3.25892333 C[C@H]1CCc2ncccc2C(=O)OC[C@]3(C)O[C@]45[C@H](OC(=O)c6ccccc6)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@]4(COC(=O)C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC1=O)[C@]5(C)O
1168712 5.689091763 4 4.594543458 6.05871875 NotRecorded 1 4 1.464175292 COc1ccc2c3CN4CN(C[C@@H]4Cc3c5cc(OC)c(OC)cc5c2c1)N(C)C
1171870 4.468574629 8 4.953577688 7.537348214 NotRecorded 1 8 2.583770526 CC(C)C(=O)O[C@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)c2cccnc2)C(C)(C)\C=C\[C@@H](C)C(=O)[C@]3(C[C@@](C)(OC(=O)C)[C@H](OC(=O)C)[C@@H]3\C=C/1\COC(=O)C)OC(=O)C
1208171 4.864484514 5 5.911330201 6.856588393 Chromobox protein homolog 1, DNA polymerase iota, Geminin, NotRecorded, T-complex protein 1 subunit beta 5 5 0.945258192 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCN=C(N)N)nn4)n5cc(CCC(=O)O)nn5
1211510 4.912963593 16 4.474514092 7.828407924 Ataxin-2, DNA dC->dU-editing enzyme APOBEC-3G, Guanine nucleotide-binding protein G(s)- subunit alpha, Hepatocyte nuclear factor 4-alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Paired box protein Pax-8, Perilipin-1 9 16 3.353893832 COc1ccc(CNC(=O)O[C@H]2CN3N([C@H](CN(CC#C)S(=O)(=O)c4ccc(C)cc4)[C@H]2OC(=O)NCc5ccc(OC)c(OC)c5)C(=O)C=CC3=O)cc1OC
1216356 4.770892446 7 4.26666897 7.537346301 Ataxin-2, Glucagon-like peptide 1 receptor, Mothers against decapentaplegic homolog 3, NotRecorded, Serine/threonine-protein kinase PLK1 5 7 3.270677331 CC(C)OC(=O)N1C[C@H](OC(=O)NCc2occc2)[C@H](OC(=O)NCc3occc3)[C@@H](CN(CC#C)S(=O)(=O)c4ccc(C)cc4)N1C(=O)OC(C)C
1218287 4.88640253 6 3.717183835 6.817982143 Chromobox protein homolog 1, DNA polymerase iota, Geminin, NotRecorded, Rap guanine nucleotide exchange factor 3 5 6 3.100798308 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](CCCCN)n4cc(CC(C)O)nn4)n5cc(CCCN=C(N)N)nn5
1218532 6.279301887 15 3.630090751 6.432297619 Ataxin-2, Glucagon-like peptide 1 receptor, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded 5 15 2.802206868 CC[C@H](C)C1OC(=O)[C@@H](C)[C@@H](CC)NC(=O)[C@H](C)N(C)C(=O)C(C)(C)C(=O)C(C)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H](CC(C)C)N(C)C(=O)CNC1=O
1219773 4.674407423 19 3.741516008 6.6748125 Androgen Receptor, Bile acid receptor FXR, Cellular tumor antigen p53, Estrogen receptor alpha, Glucocorticoid receptor, NotRecorded, Nuclear factor erythroid 2-related factor 2, Nuclear receptor subfamily 1 group I member 2, Peroxisome proliferator-activated receptor delta, Peroxisome proliferator-activated receptor gamma, Retinoid X receptor alpha, Thyroid hormone receptor beta-1, Vitamin D receptor 13 19 2.933296492 CC[C@H](C)C1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC(=O)C)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C
1221132 5.511619377 7 5.124419404 8.256727679 Geminin, NotRecorded, Vitamin D receptor 3 7 3.132308275 CC(CC1CC(O)[C@]2(C)OC3CC4OC5C[C@]6(C)O[C@]7(C)CCC8OC9C[C@]%10(C)OC%11C(CC%10OC9C[C@@H](C)C8OC7CC6O[C@]5(C)C\C=C/C4OC3CC2O1)OC(=O)C=C%11C)C%12OCCO%12
1221164 5.764459806 6 2.657083333 7.163196726 DNA polymerase iota, Geminin, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1 4 6 4.506113393 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)Cn4cc(CCCCN)nn4)n5cc(CCCN=C(N)N)nn5
1222443 5.134051165 4 3.714797005 7.55221875 Chromobox protein homolog 1, NotRecorded 2 4 3.837421745 Cl.C[C@@H](O)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H](C)n4cc(CCC(=O)O)nn4)n5cc(CCCCN)nn5
1222935 5.290954281 6 4.641297824 8.072 DNA polymerase iota, Geminin, NotRecorded 3 6 3.430702176 C[C@@H]1CC2OC3CC4OC(=O)C=C(C)C4O[C@@]3(C)CC2OC5CC[C@@]6(C)O[C@@]7(C)CC8OC9CC%10O[C@@]%11(C)C(O)CC(CC(=C)COC(=O)CCC(=O)O)OC%11CC%10OC9\C=C/C[C@@]8(C)OC7CC6OC15
1223562 5.447506485 18 3.740503753 8.034125 Geminin, Glutaminase kidney isoform- mitochondrial, Mothers against decapentaplegic homolog 3, NotRecorded, Peripheral myelin protein 22 5 18 4.293621247 CO[C@H]1[C@@H](CC(=O)O[C@H](C)C[C@@H]2OC2\C=C/C(=O)[C@H](C)C[C@H](CC=O)[C@@H]1OC3OC(C)C(OC4CC(C)(O)C(OC(=O)CC(C)C)C(C)O4)C(C3O)N(C)C)OC(=O)C
1224423 4.895936856 89 4.471360708 7.5325625 Androgen Receptor, Bile acid receptor FXR, Cellular tumor antigen p53, Estrogen receptor alpha, Glucocorticoid receptor, Heat shock protein beta-1, NotRecorded, Nuclear factor NF-kappa-B p105 subunit, Nuclear factor erythroid 2-related factor 2, Nuclear receptor subfamily 1 group I member 2, Peroxisome proliferator-activated receptor delta, Peroxisome proliferator-activated receptor gamma, Proto-oncogene c-JUN, Retinoid X receptor alpha, Thyroid hormone receptor beta-1, Vitamin D receptor 16 89 3.061201792 CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](NC)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C.OC(=O)c8ccccc8
1228060 4.187500094 4 3.296813274 6.41109375 DNA polymerase iota, Parathyroid hormone receptor, Vitamin D receptor 3 4 3.114280476 OCCc1cn(CC(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)Cn5cc(CCO)nn5)nn1
1239866 6.767587556 7 4.174908333 7.398125 Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2 3 7 3.223216667 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C
1242297 4.479608164 4 3.366458918 7.02917433 DNA polymerase iota, Geminin, Guanine nucleotide-binding protein G(s)- subunit alpha, NotRecorded 4 4 3.662715413 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c2nc(NCCOCCOCCOCC#C)nc(n2)N3CCN(CC3)C(=O)[C@H]([C@@H](C)O)n4cc(CCCCN)nn4)n5cc(CCCCN)nn5
1248681 5 4 2.820833333 8.372830357 NotRecorded 1 4 5.551997024 CCCCCCCCCCCCCCCCCC(=O)O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(=O)C)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
1248989 2.624624435 272 5.448433433 7.752877068 Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Thromboxane-A synthase, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor 105 272 2.304443635 CO[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]2[C@]3(C)CC[C@@H](O3)[C@]4(C)CC[C@]5(C[C@H](O)[C@@H](C)[C@H](O5)[C@@H](C)[C@@H]6O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]6OC)O4)[C@H]7O[C@](C)(O)[C@H](C)C[C@@H]7C)O[C@@H](C)[C@@H]1OC
1264657 5.150315008 7 5.784441714 6.039821429 NotRecorded 1 7 0.255379714 C[C@@H]1O[C@H](OC\C=C\2/CC[C@H]3[C@@H]4CC[C@H]5Cc6nc7C[C@@]8(C)[C@@H](CC[C@H]9[C@@H]%10CC\C(=C/CO[C@H]%11O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%11O)\[C@@]%10(C)C[C@H](O)[C@H]89)Cc7nc6C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)[C@H](O)[C@H](O)[C@H]1O
1264831 6.166205999 5 3.976440759 6.7533125 NotRecorded 1 5 2.776871741 COc1cc(cc2OCOc12)C3C4=C(COC4=O)Nc5cc6OCOc6c(OC)c35
1264834 6.301339999 9 5.64001433 6.132918651 NotRecorded 1 9 0.492904321 COc1cc(cc2OCOc12)C3C4=C(COC4=O)Nc5cc6OCCOc6cc35
1267399 4.5 6 4.092049089 5.963669643 NotRecorded 1 6 1.871620554 CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
1268809 5.752 5 5.242912901 7.216845784 NotRecorded 1 5 1.973932883 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]3CO[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5CC[C@]78OC[C@@]9(CCC(C)(C)C[C@@H]79)C(=O)C[C@@]68C)C4(C)C)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]3O)[C@H](O)[C@H](O)[C@H]1O
1268810 5.736 5 5.088658777 7.216845784 NotRecorded 1 5 2.128187006 CC1(C)CC[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]7O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC2=O)[C@@H]3C1
1268811 5.228 5 6.218693228 6.794388802 NotRecorded 1 5 0.575695574 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]3CO[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5CC[C@]78OC[C@@]9(CCC(C)(C)C[C@@H]79)[C@H](O)C[C@@]68C)C4(C)C)[C@H](O[C@@H]%10O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]3O)[C@H](O)[C@H](O)[C@H]1O
1268962 5.72 5 4.656989356 8.299048382 NotRecorded 1 5 3.642059026 CC(=O)O[C@H]1[C@H](OC(=O)C)[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]7O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3CC1(C)C
1269338 2 6 2 6.458290179 NotRecorded 1 6 4.458290179 CCCC(=O)O[C@]1(C)CC[C@H](O)[C@@](C)(O)C[C@H]2O[C@@H]1[C@@H]3[C@@H](C(C)C)[C@H](O)C[C@@](C)(OC(=O)C)[C@H]23
1271273 5.759407771 6 4.919403815 4.985665629 NotRecorded 1 6 0.066261815 CC(=O)O[C@@H]1COC(=O)/C/1=C/C[C@@H]2C(=C)CC[C@@H]3[C@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H](CC[C@@]23C)OC(=O)C
1271274 5.631731365 6 4.788947535 4.606196348 NotRecorded 1 6 -0.182751187 CC(C)[Si](OC[C@]1(C)[C@H](O)CC[C@@]2(C)[C@H](C\C=C\3/[C@H](O)COC3=O)C(=C)CC[C@H]12)(C(C)C)C(C)C
1271431 4.720924381 6 4.7261739 4.014148045 NotRecorded 1 6 -0.712025855 CC(=O)O[C@@H]1COC(=O)/C/1=C/C[C@@H]2C(=C)CC[C@@H]3[C@](C)(CO[Si](c4ccccc4)(c5ccccc5)C(C)(C)C)[C@@H](CC[C@@]23C)OC(=O)C
1275995 5.83762332 4 6.403886294 5.218021577 NotRecorded 1 4 -1.185864717 CCC(C)[C@H](NC(=O)OC1CC(C)(C)N([O])C(C)(C)C1)C(=O)O[C@H]2[C@@H]3[C@@H](COc4cc(OC)c(OC)cc34)Oc5c6C[C@@H](Oc6ccc25)C(=C)C
1280065 5.281245325 7 5.20155618 6.642375 NotRecorded 1 7 1.44081882 CC1C(C)c2ccncc2C(=O)OC[C@]3(C)O[C@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]4(COC(=O)C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC1=O)[C@]5(C)O
1280343 4.301029996 5 4.673424791 7.52971875 NotRecorded 1 5 2.856293959 CC1(C)OC[C@@H](O1)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCc4ccc(cc4)c5nc6ccc(F)cc6s5
1280574 6.614 5 5.60574279 3.745375357 NotRecorded 1 5 -1.860367433 COC1=CC=C2C(=CC1=O)[C@@H](N)CCc3c(Cl)c(OC)c(OC)c(OC)c23
1283852 5.254285714 7 4.670141406 6.377495536 NotRecorded 1 7 1.70735413 CO[C@]1(CC[C@@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CCC5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]2(O)[C@@H]1C)O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O
1332863 4.97 6 4.873871664 5.981888393 NotRecorded 1 6 1.108016729 C[C@@H]1O[C@H](CC[C@@H]1O[C@H]2CCC(=O)[C@H](C)O2)O[C@H]3[C@H](O)C[C@@H](O[C@@H]3C)c4ccc5C(=O)c6c(O)c(C[C@](C)(CC(=O)O)O[C@H]7CC[C@H](O[C@H]8CCC(=O)[C@H](C)O8)[C@H](C)O7)ccc6C(=O)c5c4O
1332865 4.888333333 6 6.747429312 7.87025 NotRecorded 1 6 1.122820688 C[C@@H]1O[C@H](CC[C@@H]1O[C@H]2CCC(=O)[C@H](C)O2)O[C@@](C)(CC(=O)O)Cc3ccc4C(=O)c5c(O)c(ccc5C(=O)c4c3O)[C@H]6C[C@H]7O[C@H]8CC(=O)[C@H](C)O[C@H]8O[C@@H]7[C@@H](C)O6
1332866 4.841666667 6 6.586707989 7.339304688 NotRecorded 1 6 0.752596699 C[C@@H]1O[C@H](CC[C@@H]1O[C@H]2CCC(=O)[C@H](C)O2)O[C@H]3[C@H](O)C[C@@H](O[C@@H]3C)c4ccc5C(=O)c6c(O)c7C[C@](C)(CC(=O)c7cc6C(=O)c5c4O)O[C@H]8CC[C@H](O[C@H]9CCC(=O)[C@H](C)O9)[C@H](C)O8
1332868 5.391666667 6 6.478479339 6.3710625 NotRecorded 1 6 -0.107416839 C[C@@H]1O[C@H](CC[C@@H]1O[C@H]2CCC(=O)[C@H](C)O2)O[C@H]3[C@H](O)C[C@@H](O[C@@H]3C)c4ccc5C(=O)C6=C(C=C[C@]7(O)C[C@](C)(CC(=O)[C@]67O)O[C@H]8CC[C@H](O[C@H]9CCC(=O)[C@H](C)O9)[C@H](C)O8)C(=O)c5c4O
1335770 4.2 5 4.585664442 4.782973125 NotRecorded 1 5 0.197308683 COc1cc(cc(OC)c1OC)C2\C(=C\c3cccc(c3)[N+](=O)[O-])\C(=O)c4cc(OC)c(OC)c(OC)c24
1337838 5.3275 4 4.968708067 6 NotRecorded 1 4 1.031291933 CC1(C)CCC(=O)[C@]2(COC(=O)[C@@]34[C@H](OC(=O)c5ccc(cc5)C(F)(F)F)[C@@H](CC[C@@H]23)C(=C)C4=O)[C@@H]1C=O
1337842 5.595 4 5.188687774 6.601046875 NotRecorded 1 4 1.412359101 CC1(C)CCC(=O)[C@]2(COC(=O)[C@@]34[C@H](OC(=O)c5ccc(Cl)cc5)[C@@H](CC[C@@H]23)C(=C)C4=O)[C@@H]1C=O
1337843 5.6825 4 5.026647395 7.100625 NotRecorded 1 4 2.073977605 CC1(C)CCC(=O)[C@]2(COC(=O)[C@@]34[C@H](OC(=O)c5ccccc5Cl)[C@@H](CC[C@@H]23)C(=C)C4=O)[C@@H]1C=O
1339071 5.147434291 7 5.024026521 5.290818878 NotRecorded 1 7 0.266792357 CC1(C)CCC(=O)[C@]2(COC(=O)[C@@]34[C@H](O)[C@@H](CC[C@@H]23)C(=C)C4=O)[C@@H]1C=O
1339077 5.6475 4 4.857580305 7.100625 NotRecorded 1 4 2.243044695 COc1ccc(cc1)C(=O)O[C@@H]2[C@H]3CC[C@H]4[C@@]5(COC(=O)[C@@]24C(=O)C3=C)[C@H](C=O)C(C)(C)CCC5=O
1339957 6.743126937 8 4.605234855 6.241933036 NotRecorded 1 8 1.636698181 CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]3CC[C@@H](C)[C@H]3[C@@H]2OC(=O)\C=C\c4ccccc4
1344603 4.415168568 7 4.074354637 7.205607143 NotRecorded 1 7 3.131252506 CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]3[C@H](O)C[C@@]4(C)[C@@H](CC=C4[C@]13C)[C@H]5CO[C@H]([C@H](O)C5)C(C)(C)O
1344604 4.395168568 7 3.934980134 7.205607143 NotRecorded 1 7 3.270627009 CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]3[C@H](O)C[C@@]4(C)[C@@H](CC=C4[C@]13C)[C@H]5COC(C)(C)[C@@H](O)[C@H](O)C5
1346580 5.308 5 4.710085086 6.6029375 NotRecorded 1 5 1.892852414 COC(=O)[C@@]12OC[C@@]34[C@@H](CC5=C(C)C(=O)C(=C[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)O)OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24
1346581 5.374 5 4.243007278 7.16228125 NotRecorded 1 5 2.919273972 COC(=O)[C@@]12OC[C@@]34[C@@H](C[C@H]5[C@H](C)[C@@H](O)C(=O)C[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24
1350621 4.5 4 5.215792457 7.40059375 NotRecorded 1 4 2.184801293 COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@H](C[C@H]1c2ncc([nH]2)c3ccc(cc3)c4ccc(cc4)c5cnc([nH]5)[C@@H]6C[C@@H](CN6C(=O)[C@@H](NC(=O)OC)C(C)C)n7cc(nn7)C(=O)OC)n8cc(nn8)C(=O)OC
1356550 5.099766473 9 5.231925397 5.87296875 NotRecorded 1 9 0.641043353 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CCC(=O)O)[C@@H](CC[C@@]34C)C(=C)C)[C@@H]12)C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O
1356557 4.912628749 8 4.88106354 5.8666875 NotRecorded 1 8 0.98562396 CC(=C)[C@@H]1C[C@H](O)[C@@]2(CC[C@]3(C)[C@H](C[C@H]4OC(=O)C[C@@H](O)[C@@]5(C)[C@@H](CC[C@]3(C)[C@H]45)C(=C)C)[C@@H]12)C(=O)O
1359426 7.35 15 5.397342707 7.32833125 Sodium/potassium-transporting ATPase 1 15 1.930988543 CC1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@@H](CC[N+](=O)[O-])CC[C@]45O)C2)C(O)[C@@H](O)[C@H]1O
1368098 8.52 15 5.190539242 7.19784375 Sodium/potassium-transporting ATPase 1 15 2.007304508 C[C@]12CC[C@@H](CC1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@@H](CC[C@@]34O)C5=CC(=O)OC5)OC[C@H]6O[C@H](O)[C@H](O)[C@@H](O)[C@@H]6O
1378077 2 272 5.296905033 7.752877068 Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Thromboxane-A synthase, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor 105 272 2.455972035 N.CO[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]2[C@]3(C)CC[C@@H](O3)[C@]4(C)CC[C@]5(C[C@H](O)[C@@H](C)[C@H](O5)[C@@H](C)[C@@H]6O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]6OC)O4)[C@H]7O[C@](C)(O)[C@H](C)C[C@@H]7C)O[C@@H](C)[C@@H]1OC
1378084 4.846856131 9 3.999227964 8.15165625 NotRecorded 1 9 4.152428286 C\C(=C(/CCOC(=O)c1ccccc1)\SS\C(=C(\C)/N(Cc2cnc(C)nc2N)C=O)\CCOC(=O)c3ccccc3)\N(Cc4cnc(C)nc4N)C=O
1378669 2.109114692 280 4.309656187 8.464957738 Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Thromboxane-A synthase, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor 105 280 4.155301551 CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C
1403002 4.739624327 10 4.035428679 7.433550893 Ataxin-2, Glucagon-like peptide 1 receptor, Glycoprotein hormones alpha chain, Guanine nucleotide-binding protein G(s)- subunit alpha, NotRecorded, Serine/threonine-protein kinase PLK1 6 10 3.398122214 CCCCCCN1C(=O)N2C[C@H](OC(=O)Nc3c(C)onc3C)[C@H](OC(=O)Nc4c(C)onc4C)[C@@H](CN(CC#C)S(=O)(=O)c5ccc(C)cc5)N2C1=O
1409092 5.075143758 6 4.842030669 6.525404204 NotRecorded 1 6 1.683373535 C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(=O)Nc3ccccc3N)OCCCC[C@@H](C)Oc4ccc(NS(=O)(=O)c5ccc(Cl)cc5)cc4C1=O
1411567 5.863242809 5 3.275080794 6.216825 Geminin, NotRecorded 2 5 2.941744206 CCN(C[C@H]1N[C@](CC)([C@@H]2[C@H]1C(=O)N(Cc3ccccc3)C2=O)C(=O)OC)C(=O)Nc4ccc(OC)cc4.OC(=O)C(F)(F)F
1411569 5.048557764 6 4.944700692 5.93811849 NotRecorded 1 6 0.993417797 C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(=O)Nc3ccccc3N)OCCCC[C@@H](C)Oc4ccc(NS(=O)(=O)c5ccc(F)cc5)cc4C1=O
1412789 5.949576019 9 4.158720711 5.923255952 NotRecorded, Tyrosine-protein kinase YES 2 9 1.764535241 CN(C)C1CCN(CC1)C(=O)c2ccc(NC(=O)Nc3nc(nc(n3)N4CCOCC4)N5CCOCC5)cc2
1413247 7.237032821 23 5.760378925 6.66940633 NotRecorded, Nuclear factor NF-kappa-B complex, Proteasome Macropain subunit, Proteasome Macropain subunit MB1, Proteasome component C5 5 23 0.909027405 CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O
1428626 4.619990686 1152 5.051222138 6.889145628 NotRecorded, PI3-kinase p110-alpha subunit, PI3-kinase p110-beta subunit, PI3-kinase p110-delta subunit, PI3-kinase p110-gamma subunit 5 1152 1.83792349 C[C@@H](Nc1ccccc1C(=O)O)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C
1444326 5.7775 4 4.102619892 6.372417188 NotRecorded 1 4 2.269797295 CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c3nc5ccccc5c4C(=O)c6cc(OC)c(OC)c(OC)c6)C2=O
1444327 5.7175 4 4.965405799 5.9983125 NotRecorded 1 4 1.032906701 CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c3nc5ccccc5c4C(=O)c6cc(OC)ccc6OC)C2=O
1444336 7.33 4 4.771706244 6.269264509 NotRecorded 1 4 1.497558265 CCC(=O)c1c2CN3C(=O)C4=C(C=C3c2nc5ccccc15)[C@@](O)(CC)C(=O)OC4
1444607 5.442424197 24 5.347088447 9.10815625 NotRecorded 1 24 3.761067803 CCCCCCCCCCCCO[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)C)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](OC(=O)C)[C@H]3OC(=O)C)[C@H]2O)[C@@H](O)[C@H]1O
1444611 5.745154997 24 5.690812081 7.380982143 NotRecorded 1 24 1.690170062 CCCCCCCCCCCCO[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)C)[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC(=O)C)[C@@H](O[C@@H]4O[C@@H](C)[C@H](OC(=O)C)[C@@H](O)[C@H]4OC(=O)C)[C@H]3OC(=O)C)[C@H]2O)[C@@H](O)[C@H]1O
1444614 5.817090047 22 5.266655404 6.955575893 NotRecorded 1 22 1.688920489 CCCCCCCCCCCCO[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)C)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]4OC(=O)C)[C@H]3OC(=O)C)[C@H]2O)[C@@H](O)[C@H]1O
1447926 4.15490196 4 4.446605174 7.3324375 NotRecorded 1 4 2.885832326 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)N[C@H](CO)C(=O)O
1447930 4.598423624 4 4.707207296 6.017484375 NotRecorded 1 4 1.310277079 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)NC6CC(C)(C)N([O])C6(C)C)C1(C)C
1449150 4.63222655 45 3.295902519 7.947477679 Bile salt export pump, Heat shock protein beta-1, NotRecorded, Nuclear factor NF-kappa-B p105 subunit, Nuclear factor erythroid 2-related factor 2, Proto-oncogene c-JUN, Solute carrier organic anion transporter family member 1B1, Solute carrier organic anion transporter family member 1B3 8 45 4.65157516 CCCCCCCCCCCCOS(=O)(=O)O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(=O)CC)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
1450238 2.373974346 313 4.90660905 7.947477679 Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Glucocorticoid receptor, Glycine receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Nuclear factor NF-kappa-B p105 subunit, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Sigma opioid receptor, Thromboxane-A synthase, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor 106 313 3.040868629 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(=O)CC)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
1461867 5.53969801 13 4.514010422 4.91478711 NotRecorded 1 13 0.400776689 COc1cc2c3CC4CCCN4Cc3c5cc(OC)c(OC)cc5c2cc1OC.CC6(C)C7CC[C@@]6(C(=O)C7)S(=O)(=O)O
1461868 5.324284787 13 5.182252512 5.803600275 NotRecorded 1 13 0.621347763 COc1cc2c3CC4CCCN4Cc3c5cc(OC)c(OC)cc5c2cc1OC.Oc6c(cc(cc6[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
1461869 5.184064968 13 4.344750674 4.817817956 NotRecorded 1 13 0.473067282 COc1cc(\C=C\C(=O)O)ccc1O.COc2cc3c4CC5CCCN5Cc4c6cc(OC)c(OC)cc6c3cc2OC
1461877 5.424439431 13 4.390577264 4.545568104 NotRecorded 1 13 0.15499084 COc1cc2c3CC4CCCN4Cc3c5cc(OC)c(OC)cc5c2cc1OC.Nc6ccc(cc6)S(=O)(=O)O
1461878 5.479102732 13 4.640395749 5.031313674 NotRecorded 1 13 0.390917925 COc1cc2c3CC4CCCN4Cc3c5cc(OC)c(OC)cc5c2cc1OC.OC(=O)c6cc(ccc6O)S(=O)(=O)O
1477159 4.708453751 8 5.307566039 6.198472656 NotRecorded 1 8 0.890906617 COc1cc2c3CN4CCC[C@H]4CNc3c5cc(OC)c(OC)cc5c2cc1OC
1477284 4.660766606 8 5.251006495 6.367585938 NotRecorded 1 8 1.116579443 COc1cc2c3CN4CCC[C@@H]4CNc3c5cc(OC)c(OC)cc5c2cc1OC
1488448 4.910179515 9 3.156322824 6.8349375 NotRecorded 1 9 3.678614676 COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](N)c4cc5OCOc5cc24
1503827 8.823640009 9 8.396188326 6.386009425 NotRecorded 1 9 -2.010178901 C[C@@H]1[C@H]2CC=C3[C@@H]4CC[C@H]5Cc6nc7C[C@@]8(C)[C@@H](CC[C@@H]9[C@@H]8C[C@@H](O)[C@@]%10(C)C9=C[C@@H]%11O[C@@]%12(CC[C@](C)(O)CO%12)[C@@H](C)[C@]%10%11O)Cc7nc6C[C@]5(C)[C@@]4(O)CC(=O)[C@]23CO[C@]1%13OC(C)(C)C[C@H]%13O
1512513 5.338190452 31 5.775022 6.863177954 NotRecorded, Tubulin 2 31 1.088155953 COc1cc(Sc2c([nH]c3ccccc23)C4CCC4)cc(OC)c1OC
1512515 5.237447697 31 6.76375 6.49629056 NotRecorded, Tubulin 2 31 -0.26745944 COc1cc(Sc2c([nH]c3ccccc23)C4CCCC4)cc(OC)c1OC
1512632 7.5025 4 4.761172838 4.914741964 NotRecorded 1 4 0.153569126 CN(C)c1cccc(c1)C2=CC(=O)c3cc(ccc3N2)N4CCCC4
1512848 5.785325123 31 6.975208333 5.967637721 NotRecorded, Tubulin 2 31 -1.007570613 COc1cc(Sc2c([nH]c3ccccc23)c4cc[nH]n4)cc(OC)c1OC
1512854 5.17 15 6.130647 6.158334821 Tubulin 1 15 0.027687821 COc1cc(Cc2c([nH]c3ccccc23)c4occc4)cc(OC)c1OC
1512861 4.85 15 5.672908603 6.770839286 Tubulin 1 15 1.097930683 COc1cc(cc(OC)c1OC)C(=O)c2c([nH]c3ccccc23)C4=NCCO4
1512862 5.03 15 6.948221103 6.770839286 Tubulin 1 15 -0.177381817 COc1cc(Cc2c([nH]c3ccccc23)C4=NCCO4)cc(OC)c1OC
1512864 5.244482895 31 6.768818204 5.813814516 NotRecorded, Tubulin 2 31 -0.955003688 COc1cc(cc(OC)c1OC)C(=O)c2c([nH]c3ccccc23)c4occn4
1512865 4.397940009 15 5.665016019 7.162571429 Tubulin 1 15 1.497555409 COc1cc(Sc2c([nH]c3ccccc23)C4=NCCN4)cc(OC)c1OC
1512868 5.26516129 31 6.11311042 6.144100374 NotRecorded, Tubulin 2 31 0.030989954 COc1cc(Cc2c([nH]c3ccccc23)c4ccccc4)cc(OC)c1OC
1516664 5.112413529 17 7.984063696 6.467367752 NotRecorded, Tubulin 2 17 -1.516695944 COc1ccc(cc1N)[C@H]2C[C@H]2c3ccc(OC)c(OC)c3OC
1521551 5.130616875 29 7.345 4.993405718 NotRecorded, Tubulin 2 29 -2.351594282 COc1ccc(cc1O)C(=O)c2cn(C)c3c(OC)c(OC)c(OC)cc23
1521558 5.274027208 45 8.029185536 6.428964286 Tubulin 1 45 -1.600221251 COc1cccc(c1)c2noc(Nc3ccc(OC)c(Cl)c3)n2
1521562 4.170726004 45 7.757275978 6.143125 Tubulin 1 45 -1.614150978 COc1ccc(OC)c(c1)c2noc(Nc3ccc(C)c(F)c3)n2
1521563 4.97841237 45 7.912108702 6.770839286 Tubulin 1 45 -1.141269416 COc1ccc(OC)c(c1)c2noc(Nc3ccc4OCCOc4c3)n2
1521564 5.01978477 45 6.934856352 6.428964286 Tubulin 1 45 -0.505892066 COc1ccc(OC)c(c1)c2noc(Nc3ccc4OCOc4c3)n2
1521569 5.636522218 45 4.541124086 6.094122024 Tubulin 1 45 1.552997938 Cc1ccc(Nc2onc(n2)c3ccccc3)cc1
1521570 5.28129698 45 5.495529779 6.569126984 Tubulin 1 45 1.073597205 CCc1ccc(Nc2onc(n2)c3ccccc3F)cc1
1521572 5.488164508 45 5.046666572 6.643730655 Tubulin 1 45 1.597064082 Cc1ccc(Nc2onc(n2)c3ccccc3F)cc1F
1521949 5.17145494 28 7.31 5.130837435 NotRecorded, Tubulin 2 28 -2.179162565 COc1ccc(Cc2cn(C)c3c(OC)c(OC)c(OC)cc23)cc1O
1522177 4.75 4 5.726529021 6.801991071 Acetylcholinesterase, Cholinesterase 2 4 1.07546205 C=CC(=O)N1C\C(=C/c2cccc3ccccc23)\C(=O)\C(=C\c4cccc5ccccc45)\C1
1525364 5.859678026 6 4.214291667 6.77075 NotRecorded 1 6 2.556458333 CC1C(C)c2ccncc2C(=O)OC[C@]3(C)O[C@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]4(COC(=O)C)[C@@H](OC(=O)C)[C@@H](O)[C@H](OC1=O)[C@]5(C)O
1525365 6 5 5.744013889 6.2048125 NotRecorded 1 5 0.460798611 CC1c2ccncc2C(=O)OC[C@]3(C)O[C@]45[C@H](O)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]4(COC(=O)c6cocc6)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C1(C)O)[C@]5(C)O
1525366 6 5 5 6.642375 NotRecorded 1 5 1.642375 CC1CCc2ccncc2C(=O)OC[C@]3(C)O[C@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@]4(COC(=O)C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC1=O)[C@]5(C)O
1527715 2 7 7.270190681 6.98486503 Gamma-secretase, NotRecorded 2 7 -0.285325651 CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)B3O[C@H]4C[C@H]5C[C@H](C5(C)C)[C@@]4(C)O3
1527716 2.428571429 7 7.270190681 7.375255619 Gamma-secretase, NotRecorded 2 7 0.105064939 CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2)B(O)O
1528113 2.75 8 7.270190681 7.176337959 Gamma-secretase, NotRecorded 2 8 -0.093852722 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2)B3O[C@H]4C[C@H]5C[C@H](C5(C)C)[C@@]4(C)O3
1528136 2.428571429 7 7.270190681 7.375255619 Gamma-secretase, NotRecorded 2 7 0.105064939 CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2)B3O[C@H]4C[C@H]5C[C@H](C5(C)C)[C@@]4(C)O3
1528151 2 7 7.270190681 6.98486503 Gamma-secretase, NotRecorded 2 7 -0.285325651 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)B3O[C@H]4C[C@H]5C[C@H](C5(C)C)[C@@]4(C)O3
1531633 5.475159841 79 3.29450017 6.048681216 Androgen Receptor, NotRecorded, Nuclear factor NF-kappa-B p105 subunit, Peroxisome proliferator-activated receptor delta, Proto-oncogene c-JUN 5 79 2.754181046 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O[C@@H]6CCCCO6)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
1531645 5.957513326 4 4.778411705 6.723053571 NotRecorded 1 4 1.944641867 C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)Oc3ccc(NC(=O)Nc4cccc5ccccc45)cc3CC1=O
1532493 5.196323038 26 2.885625 8.47619494 Androgen Receptor, NotRecorded 2 26 5.59056994 CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C.OC(C(O)C(=O)O)C(=O)O
1532634 4.939157615 25 4.809868218 8.034125 Androgen Receptor, NotRecorded 2 25 3.224256782 CO[C@H]1[C@@H](CC(=O)O[C@H](C)CC2OC2\C=C\C(=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]3O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C)OC(=O)C
1533033 5.902513326 4 5.029891971 5.883147321 NotRecorded 1 4 0.853255351 C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)Oc3ccc(NC(=O)Nc4cccc5ccccc45)cc3CC1=O
1533691 5.65996442 70 3.17051912 7.742949554 Androgen Receptor, NotRecorded, Nuclear factor erythroid 2-related factor 2, Peroxisome proliferator-activated receptor delta, Proto-oncogene c-JUN 5 70 4.572430434 [NH4+].CO[C@H]1CC(O[C@H]2C[C@@H](O[C@H]2[C@]3(C)CC[C@@H](O3)[C@]4(C)CC[C@]5(C[C@H](O)[C@@H](C)[C@H](O5)[C@@H](C)[C@@H]6O[C@](O)(CC(=O)[O-])[C@@H](C)[C@H](OC)[C@H]6OC)O4)[C@H]7O[C@](C)(O)[C@H](C)C[C@@H]7C)O[C@@H](C)[C@@H]1OC
1535065 4.619249516 5 2.896708338 6.304223214 NotRecorded, Paired box protein Pax-8, Serine/threonine-protein kinase PLK1 3 5 3.407514876 COC(=O)[C@@H]1C[C@@H](OC(=O)Nc2c(C)onc2C)[C@@H](OC(=O)Nc3c(C)onc3C)[C@H](CN(CC#C)S(=O)(=O)c4ccc(C)cc4)[C@@H]1C(=O)OC
1535675 4.839276411 8 4.852060873 6.512896066 NotRecorded, Paired box protein Pax-8 2 8 1.660835193 C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(=O)Nc3ccccc3N)OCCCC[C@@H](C)Oc4ccc(NS(=O)(=O)c5ccc(Cl)cc5)cc4C1=O
1538216 5.120493169 27 4.077746519 7.948133929 NotRecorded 1 27 3.87038741 CO[C@H]1[C@@H](CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O[C@@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]3O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@@H](O)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C)OC(=O)C
1538278 5.754334352 6 3.90250584 7.84396875 NotRecorded 1 6 3.94146291 COC1[C@@H](CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)OC(=O)C
1538280 5.70504801 5 4.331917061 8.338508929 DNA-(apurinic or apyrimidinic site) lyase, NotRecorded 2 5 4.006591867 CCC1OC(=O)C(C)[C@@H](O[C@H]2C[C@@](C)(OC)C(O)C(C)O2)C(C)[C@@H](O[C@@H]3OC(C)CC(C3O)N(C)C)[C@@](C)(O)CC(C)CN(C)C(C)C(O)[C@]1(C)O
1538830 5.084159481 25 4.483056265 6.26153125 NotRecorded 1 25 1.778474985 CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]3[C@@H](C)\C=C\C=C\4/CO[C@@H]5[C@H](O)C(=C[C@@H](C(=O)O[C@H]6C[C@@H](C\C=C\3/C)O[C@@]7(C6)O[C@H](C8CCCCC8)[C@@H](C)C=C7)[C@]45O)C)O[C@@H](C)[C@@H]1O
1542783 4.882179973 5 4.165519055 6.31876875 NotRecorded 1 5 2.153249695 C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCS(=O)(=O)CCCS(=O)(=O)CC[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]46OO5)O[C@@H]7O[C@]8(C)CC[C@@H]1[C@]27OO8
1542799 6.007372431 5 5.830450805 6.946937396 NotRecorded 1 5 1.116486591 C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNC(=O)CC[C@H](NC(=O)CC[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]46OO5)C(=O)NCC[C@H]7O[C@@H]8O[C@]9(C)CC[C@H]%10[C@H](C)CC[C@@H]([C@H]7C)[C@]8%10OO9)O[C@@H]%11O[C@]%12(C)CC[C@@H]1[C@]2%11OO%12
1543198 5 5 6.449237642 9.045625 NotRecorded 1 5 2.596387358 COC(=O)[C@]1(C)CC2=C3C=C(C(=O)[C@H](O)[C@@]3(C)[C@@H]4C[C@H]24)[C@@](C)(CC5=C6C=C1C(=O)[C@H](O)[C@@]6(C)[C@@H]7C[C@H]57)C(=O)OC
1547810 9.264130859 7 4.721937039 5.724116709 NotRecorded, Tubulin beta-2 chain 2 7 1.002179671 C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3cc(C)ccn3)\C
1547812 6.522878745 6 6.070050061 9.53140625 NotRecorded 1 6 3.461356189 C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ncccc3C)\C
1548018 8.23 6 6.060869104 6.86653125 NotRecorded 1 6 0.805662146 C[C@H]1CCC[C@H]2C[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ccc(C)cn3)\C
1548112 5.117449119 21 4.252419673 7.535530371 ATPase family AAA domain-containing protein 5, Microtubule-associated protein tau, Nonstructural protein 1, NotRecorded, Serine-protein kinase ATM, Streptokinase A, Thioredoxin glutathione reductase 7 21 3.283110698 CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)C=C[C@]3(C)O[C@H]3[C@@H]1C
1548468 5.737530574 8 5.550578378 5.909 Menin/Histone-lysine N-methyltransferase MLL, NotRecorded, Nuclear receptor ROR-gamma 3 8 0.358421622 C\C=C(/C)\C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C4[C@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
1548508 4.346935832 9 3.838162994 6.51340625 Alpha-galactosidase A, Cruzipain, Cytochrome P450 3A4, NotRecorded, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 2 6 9 2.675243256 CCC(C)C(=O)O[C@@H]1C[C@@]2(C)C(OC(=O)CC23OC4(C)O[C@@]15[C@@]6(C)C(CC(=O)OC)C7(C)CC6(O)[C@](O)(C7OC(=O)C8(C)OC8C)C(OC(=O)C)[C@@]35O4)c9cocc9
1557618 4.822007278 15 5.356594309 6.1602125 Cyclooxygenase-1, Cyclooxygenase-2, NotRecorded 3 15 0.803618191 C\C=C(/C)\C(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@@]3(O)[C@H]2C=C(C)C3=O)[C@@H]4C(C)(C)[C@]14OC(=O)C(C)C
1558651 4.464514998 10 4.409532089 6.75753125 NotRecorded 1 10 2.347999161 C[C@@H]1CCCCCCCC23O[C@@H]4[C@@H]5[C@H](O)[C@](O)(COC(=O)c6ccccc6)[C@@H](O)[C@]7(O)[C@@H](O)[C@@H](C)[C@H]1[C@H]7[C@@]5(O2)[C@H](C)C[C@@]4(O3)C(=C)C
1558654 4.596411998 10 5.562667417 6.5777875 NotRecorded 1 10 1.015120083 C[C@H]1CCCCCCCC23O[C@@H]4[C@@H]5[C@@H]6O[C@]6(CO)[C@@H](O)[C@]78O[C@](C)(OC7=O)[C@H]1[C@H]8[C@@]5(O2)[C@H](C)C[C@@]4(O3)C(=C)C
1558656 4.590720997 10 5.122562521 7.447833333 NotRecorded 1 10 2.325270812 C[C@@H]1[C@@H](OC(=O)C)[C@@]2(O[C@]3(O[C@@H]2[C@@H]4[C@@H]5O[C@]5(CO)[C@@H](O)[C@@]6(O)[C@@H](C=C(C)C6=O)[C@@]14O3)c7ccccc7)C(=C)C
1558657 5.013 10 5.613014369 8.666070536 NotRecorded 1 10 3.053056167 C[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@@]3(O[C@]4(O[C@@H]3[C@@H]5[C@@H]6O[C@]6(CO)[C@@H](O)[C@@]7(O)[C@@H](C=C(C)C7=O)[C@@]15O4)c8ccccc8)C(=C)C
1562417 7.9825 8 6.332410989 6.529830357 NotRecorded 1 8 0.197419369 C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3[C@H](O)C[C@]5(C)[C@H](CC[C@]45O)C6=COC(=O)C=C6)C2)[C@H](O)[C@H](O)[C@H]1O
1562845 5.708542408 9 6.412725266 6.4990625 NotRecorded 1 9 0.086337234 CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)C3=C(C)[C@H](C[C@]3([C@@H](OC(=O)C)[C@@H]4C(=C)C(=O)C=C[C@@]14C)C(C)(C)O)OC(=O)[C@H](O)[C@@H](NC(=O)c5ccccc5)c6ccccc6
1562846 5.23714128 9 6.159193069 6.5681875 NotRecorded 1 9 0.408994431 CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)C3=C(C)[C@H](C[C@]3([C@@H](OC(=O)C)[C@@H]4C(=C)C(=O)C=C[C@@]14C)C(C)(C)O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c5ccccc5
1563479 4.385514998 4 5.725950117 6.841186607 NotRecorded 1 4 1.11523649 C[C@@H]1[C@@H]2[C@@H](O)C[C@@]3(O)C(C)(C)CC(OC(=O)C)[C@H](OC(=O)C)[C@]3(C)[C@H]2C[C@@]4(O)OC(=O)C=C14
1566883 5.74 4 4.514370393 7.044053571 NotRecorded 1 4 2.529683179 COc1ccc(cc1)C(=O)O[C@@H]2[C@H]3CC[C@H]4[C@@]56CO[C@@H](O)[C@@H]5C(C)(C)CC[C@@H]6OC(=O)[C@@]24C(=O)C3=C
1566884 6.255 4 4.869053464 6.295077902 NotRecorded 1 4 1.426024438 CC1(C)CC[C@@H]2OC(=O)[C@@]34[C@H](OC(=O)c5ccc(cc5)[N+](=O)[O-])[C@@H](CC[C@H]3[C@]26CO[C@@H](O)[C@H]16)C(=C)C4=O
1566888 5.915 4 4.175698788 6 NotRecorded 1 4 1.824301212 CC1(C)CC[C@@H]2OC(=O)[C@@]34[C@H](OC(=O)c5cc(F)c(F)c(F)c5F)[C@@H](CC[C@H]3[C@]26CO[C@@H](O)[C@H]16)C(=C)C4=O
1571797 5.171666667 6 5.659164322 5.9689125 NotRecorded 1 6 0.309748178 CC(=O)O[C@H]1C[C@@H]2[C@@H](OC(=O)C)[C@]3([C@@H]1[C@]45CCCC(C)(C)[C@H]4[C@H](O)[C@]3(O)OC5)C(=O)C2=C
1572430 6.841507499 8 4.776002324 6.619384115 NotRecorded 1 8 1.843381791 CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN6C(=O)C7=C(CCCC7)C6=O)c(O)ccc5nc34)C2=O
1572434 7.05875 8 5.431483109 6.809473958 NotRecorded 1 8 1.377990849 CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN6C(=O)C7=C(CCCC7)C6=O)c(OC)ccc5nc34)C2=O
1576722 2 4 2.639584823 6.638754464 NotRecorded 1 4 3.999169641 CCCCCCCCCCCCN(CCCCCCCCCCCC)Cc1c(CC[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@@](CC)(C[C@@H]2C)[C@H]3CC[C@](O)(CC)[C@H](C)O3)ccc(C)c1O
1578061 4.698970004 5 3.616034062 6.266959821 NotRecorded 1 5 2.650925759 CCC(C)C(=O)[C@@]12C(=O)C(=C3O[C@H](C[C@]3(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O)C(C)(C)O)CC=C(C)C
1578062 4.698970004 5 4.791034062 6.662602679 NotRecorded 1 5 1.871568616 CC(C)C(=O)[C@@]12C(=O)C(=C3O[C@H](C[C@]3(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O)C(C)(C)O)CC=C(C)C
1578394 5.159699705 8 4.927248254 7.634975446 NotRecorded 1 8 2.707727192 O[C@@H]1[C@@H](CO[C@@H]2O[C@H](COC(=O)c3cccnc3)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](O[C@@H](C#N)c4ccccc4)[C@H](O)[C@H]1O
1578395 5.017435443 8 4.990960384 6.552922061 NotRecorded 1 8 1.561961677 CCOC(=O)[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c3ccccc3
1578454 6.684 5 6.583480685 4.093748512 Hepatocyte growth factor receptor, NotRecorded 2 5 -2.489732173 COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4ccccc4C#N)cc3F)ccnc2cc1OCCCN5CCCCC5
1578622 5.184163751 5 5.113509298 6.192624107 NotRecorded 1 5 1.079114809 CO[C@@H](NC(=O)C)[C@H](O)[C@]1(C)CC[C@H](C(C)C)[C@@H]1C2=C(C)C(=O)C(=CC(=C2)[C@]3(O)CC4=C5[C@@H](O3)[C@H](O)[C@]6(C)CC[C@H](C(C)C)[C@@H]6C5=C(C)C(=O)C(=C4)O)O
1580566 3.716033183 4 4.425438178 6.233107143 NotRecorded 1 4 1.807668965 CC(=O)N1N=C(C)O[C@@H]1C(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@H]5[C@H]6OC[C@@]5(CCC6(C)C)CC[C@@]34C)[C@@]2(C)CC#N
1580567 3.62 4 5.479067364 5.963360714 NotRecorded 1 4 0.48429335 CC(=O)N1N=C(C)O[C@H]1C(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@H]5[C@H]6OC[C@@]5(CCC6(C)C)CC[C@@]34C)[C@@]2(C)CC#N
1580610 6.614205999 5 4.08169 6.25628125 NotRecorded 1 5 2.17459125 CCOC(=O)Cn1cnc2c(OC)ccc(c3ocnc3c4cc(OC)c(OC)c(OC)c4)c12
1580655 6.301029996 5 3.602633333 6.25628125 NotRecorded 1 5 2.653647917 CCOC(=O)Cn1cnc2c(ccc(OC)c12)c3ocnc3c4cc(OC)c(OC)c(OC)c4
1580783 5.02 5 4.918897 6.002825893 NotRecorded 1 5 1.083928892 CCC(=O)O[C@@H]1[C@@H](OC(=O)C)C2=C(C(=O)C(=C(C(C)C)C2=O)O)[C@@]3(C)CCCC(C)(C)[C@H]13
1581018 4.490651833 17 6.248666667 7.01353125 NotRecorded, Tubulin 2 17 0.764864583 C[C@@H]1CC\C(=C/C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@H]1C)\C(=C\c2csc(C)n2)\C)\C
1584306 5.1675 4 6.503406908 7.03109375 NotRecorded 1 4 0.527686842 Nc1nn(CC(=O)N2CCN(CCO)CC2)c3nc(cc(c13)C(F)(F)F)c4ccccc4
1589333 4.4575 4 6.67868287 6.80603125 NotRecorded 1 4 0.12734838 COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(cc4)S(=O)(=O)N5CCN(CC5)c6ccc(cc6)[N+](=O)[O-])c7cc8OCOc8cc27
1592294 3.151070059 11 3.64851857 7.595352273 NotRecorded, Solute carrier organic anion transporter family member 1B3 2 11 3.946833702 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]4N[C@@H](COCCOC)O[C@H]([C@H]4C)[C@]1(C)O
1595358 8.1 15 4.870684847 6.910063616 Sodium/potassium-transporting ATPase 1 15 2.039378769 C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@@]34O)C5=CC(=O)OC5)OC[C@@H]6O[C@@H](C[C@@H](O)[C@H]6O)OC[C@@H]7O[C@@H](C[C@@H](O)[C@H]7O)OC[C@@H]8O[C@H](O)C[C@@H](O)[C@H]8O
1595360 6.19 15 4.580322002 5.812626116 Sodium/potassium-transporting ATPase 1 15 1.232304115 CC(O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC[C@@H]5O[C@@H](C[C@@H](O)[C@H]5O)OC[C@@H]6O[C@@H](C[C@@H](O)[C@H]6O)OC[C@@H]7O[C@H](O)C[C@@H](O)[C@H]7O
1607107 4.397940009 5 5.505931665 8.323616071 NotRecorded 1 5 2.817684406 CC[C@@]12CC(=C3Nc4cc(O)c(cc4[C@@]35CCN(CC=C1)[C@@H]25)[C@@H]6[C@@H]7O[C@@H]7[C@]89CC[C@@]%10(Nc%11ccccc%11[C@@]%10%12CCN6[C@@H]8%12)[C@@H](C9)C(=O)OC)C(=O)OC
1609306 6.036635283 7 7.656041667 7.2784375 NotRecorded 1 7 -0.377604167 CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](OC)C(=O)[C@]13C)C5(C)C)C
1609307 6.416277355 8 5.948413794 7.87921875 NotRecorded 1 8 1.930804956 CO[C@H]1C(=O)[C@]2(C)CC[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C
1609309 6.01837489 7 6.738462373 7.37453125 NotRecorded 1 7 0.636068877 CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](OC(=O)N(C)C)C(=O)[C@]13C)C5(C)C)C
1609310 6.504508944 9 6.427033016 7.92525 NotRecorded 1 9 1.498216984 CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](OC(=O)N(C)C)C(=O)[C@]13C)C5(C)C)C
1609312 6.330848944 8 7.403421478 7.95115625 NotRecorded 1 8 0.547734772 CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=C([C@@H](OC(=O)N(C)C)C(=O)[C@]13C)C5(C)C)C
1609313 6.124912489 7 6.001594785 7.83290625 NotRecorded 1 7 1.831311465 CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](OC(=O)OC)C(=O)[C@]13C)C5(C)C)C
1609315 6.544398191 8 6.747272672 6.03996875 NotRecorded 1 8 -0.707303922 CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=C([C@@H](OC(=O)OC)C(=O)[C@]13C)C5(C)C)C
1609316 6.201274959 8 7.662511735 6.7391875 NotRecorded 1 8 -0.923324235 CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C)OC(=O)N(C)C
1609317 6.199350466 8 4.89044082 7.49921875 NotRecorded, P-glycoprotein 1 2 8 2.60877793 CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C)OC(=O)N(C)C
1609318 6.182536188 8 6.516228372 5.97 NotRecorded 1 8 -0.546228372 CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccn6)C(=C1C5(C)C)C)OC(=O)N(C)C
1609319 6.400073235 6 7.023411661 7.95115625 NotRecorded 1 6 0.927744589 CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=C1C5(C)C)C)OC(=O)N(C)C
1609320 6.1868407 6 4.2173249 7.83290625 NotRecorded 1 6 3.61558135 CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C)OC(=O)OC
1609321 6.509740647 7 4.218456546 6.00509375 NotRecorded 1 7 1.786637204 CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C)OC(=O)OC
1609322 6.110020747 6 5.844871167 5.94409375 NotRecorded 1 6 0.099222583 CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccn6)C(=C1C5(C)C)C)OC(=O)OC
1609323 6.945092528 9 5.754370372 6.03996875 NotRecorded 1 9 0.285598378 CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=C1C5(C)C)C)OC(=O)OC
1609324 6.387318038 8 5.128909014 7.780875 NotRecorded 1 8 2.651965986 CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C([C@@H](OC)C(=O)[C@]13C)C6(C)C)C
1609325 6.384555529 9 6.438339798 7.780875 NotRecorded 1 9 1.342535202 CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccc7)C(=C([C@@H](OC)C(=O)[C@]13C)C6(C)C)C
1609327 6.363565866 9 7.395452706 7.81575 NotRecorded 1 9 0.420297294 CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=C([C@@H](OC)C(=O)[C@]13C)C6(C)C)C
1609328 6.536511095 9 6.519370285 7.665625 NotRecorded 1 9 1.146254715 CO[C@H]1C(=O)[C@]2(C)CC[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccc7)C(=C1C6(C)C)C
1609329 6.013309669 7 7.076035737 5.98671875 NotRecorded 1 7 -1.089316987 CO[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccc7)C(=C1C6(C)C)C
1609331 6.38169478 8 6.801667998 6.08253125 NotRecorded 1 8 -0.719136748 CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccn7)C(=C([C@@H](OC(=O)N(C)C)C(=O)[C@]13C)C6(C)C)C
1609334 6.283819816 8 6.104567655 5.86615625 NotRecorded 1 8 -0.238411405 CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccc7)C(=C1C6(C)C)C)OC(=O)N(C)C
1609335 6.426234878 8 5.870081607 6.08253125 NotRecorded 1 8 0.212449643 CO[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]56OC(=O)O[C@H]5[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccn7)C(=C1C6(C)C)C)OC(=O)N(C)C
1610643 5.989175223 21 7.613037875 6.07786335 NotRecorded, Tubulin 2 21 -1.535174524 COc1cc(cc(OC)c1OC)C(=O)c2cc3cc(N)ccc3s2
1615136 5.755841434 9 5.968057044 8.369698382 NotRecorded 1 9 2.401641337 CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSC(C)(C)N2C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CSC(C)(C)N3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC(=O)[C@@H]7CSC(C)(C)N7C1=O)[C@@H](C)O
1617190 7.871444345 15 6.632693475 6.0011875 NotRecorded 1 15 -0.631505975 CCOCCO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](OCCOCC)C(=O)[C@]13C)C5(C)C)C
1617193 6.380751613 14 7.240033241 5.909 NotRecorded 1 14 -1.331033241 COCO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](OCOC)C(=O)[C@]13C)C5(C)C)C
1620915 4.698970004 4 4.51751019 7.060576172 NotRecorded 1 4 2.543065982 CCCN(C(=O)C1=CC(C)(C)N([O])C1(C)C)C2(CCCCC2)C(=O)N[C@H]3[C@H]4COC(=O)[C@@H]4[C@H](c5cc(OC)c(OC)c(OC)c5)c6cc7OCOc7cc36
1620917 4.698970004 4 3.067166131 5.86790625 NotRecorded 1 4 2.800740119 CCCC(N(CCC)C(=O)C1=CC(C)(C)N([O])C(C)(C)C1)C(=O)N[C@H]2[C@H]3COC(=O)[C@@H]3[C@H](c4cc(OC)c(OC)c(OC)c4)c5cc6OCOc6cc25
1620921 5.1 4 6.251993333 7.254234375 NotRecorded 1 4 1.002241042 CCCC(OC(=O)C1=CC(C)(C)N([O])C1(C)C)C(=O)N[C@H]2[C@H]3COC(=O)[C@@H]3[C@H](c4cc(OC)c(OC)c(OC)c4)c5cc6OCOc6cc25
1620923 6.17 4 6.785394609 6.279683036 NotRecorded 1 4 -0.505711573 COc1ccc(cc1)C(OC(=O)C2=CC(C)(C)N([O])C2(C)C)C(=O)N[C@H]3[C@H]4COC(=O)[C@@H]4[C@H](c5cc(OC)c(OC)c(OC)c5)c6cc7OCOc7cc36
1620926 5.835 4 6.337789557 7.2174375 NotRecorded 1 4 0.879647943 COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](NC(=O)C(OC(=O)C4=CC(C)(C)N([O])C4(C)C)c5ccc6OCOc6c5)c7cc8OCOc8cc27
1620929 5.0225 4 4.280884592 6.860294922 NotRecorded 1 4 2.57941033 CCCC(N(C1CCCCC1)C(=O)C2=CC(C)(C)N([O])C2(C)C)C(=O)N[C@H]3[C@H]4COC(=O)[C@@H]4[C@H](c5cc(OC)c(OC)c(OC)c5)c6cc7OCOc7cc36
1620930 5.0725 4 6.209287582 6.487357422 NotRecorded 1 4 0.27806984 CCCC(N(C(=O)C1=CC(C)(C)N([O])C1(C)C)c2ccccc2)C(=O)N[C@H]3[C@H]4COC(=O)[C@@H]4[C@H](c5cc(OC)c(OC)c(OC)c5)c6cc7OCOc7cc36
1620931 5.2125 4 6.505779517 6.513212333 NotRecorded 1 4 0.007432816 COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](NC(=O)C(N(C(=O)C4CC(C)(C)N([O])C(C)(C)C4)c5ccccc5)c6ccccc6)c7cc8OCOc8cc27
1625315 4.032857143 7 4.554386755 6.713392857 NotRecorded 1 7 2.159006102 Cc1ccc2C(=O)c3cccc(CC(=O)Nc4ccc(c(c4)C(F)(F)F)[N+](=O)[O-])c3Oc2c1C
1627588 6.1 15 4.269697165 6.27618006 Sodium/potassium-transporting ATPase 1 15 2.006482894 C[C@]12CC\C(=N/OCCCN)\C[C@@H]1C(=O)C[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O
1672288 5.198199919 4 3.644661469 7.529151786 NotRecorded 1 4 3.884490317 CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)C(C)OC(=O)[C@@H](NC(=O)C3CC(=O)CCN3C(=O)[C@H](Cc4ccccc4)N(C)C(=O)[C@@H]5CCCN5C1=O)c6ccccc6
1673979 4.735472699 10 5.510204358 8.338508929 NotRecorded 1 10 2.82830457 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C(C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
1674279 4.411824179 8 4.02262091 6.134803571 NotRecorded 1 8 2.112182662 COc1ccc(cc1OC)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2
1674708 4.818270124 10 3.398642265 6.445332969 NotRecorded, Nuclear factor erythroid 2-related factor 2 2 10 3.046690704 CC(CN(CCN(CC(C)OCCO)CC(C)OCCO)CC(C)OCCO)OCCO
1676664 4.945944228 7 4.279618494 7.72553125 NotRecorded 1 7 3.445912756 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]4N[C@@H](COCCOC)O[C@@H]([C@H]4C)[C@]1(C)O
1684978 5.567947677 18 4.203111127 7.299357143 Ataxin-2, Geminin, Hypoxia-inducible factor 1 alpha, Isocitrate dehydrogenase [NADP] cytoplasmic, Mothers against decapentaplegic homolog 3, NotRecorded, Rap guanine nucleotide exchange factor 3 7 18 3.096246016 CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
1685365 5.394050722 7 3.965938317 6.162444356 ATPase family AAA domain-containing protein 5, Cruzipain, DNA-(apurinic or apyrimidinic site) lyase, Inositol monophosphatase 1, NotRecorded 5 7 2.196506039 CC1(C)Oc2ccc3C=CC(=O)Oc3c2C(=C1O)\C=N\CC\N=C\C4=C(O)C(C)(C)Oc5ccc6C=CC(=O)Oc6c45
1698175 5.238708496 14 4.348087223 5.99708285 Ataxin-2, Chromobox protein homolog 1, Geminin, Glycoprotein hormones alpha chain, Lysosomal alpha-glucosidase, NotRecorded, Nuclear receptor ROR-gamma 7 14 1.648995627 CCOc1cc(\C=N\Nc2nc(nc(n2)N3CCCCC3)N4CCCCC4)ccc1OC(=O)c5occc5
1703624 4.979192417 7 3.966033774 5.768069005 ATPase family AAA domain-containing protein 5, Beta-lactamase AmpC, DNA polymerase iota, NotRecorded, Prelamin-A/C 5 7 1.802035231 [O-][N+](=O)c1cccc(\C=N\Nc2nc(nc(n2)N3CCOCC3)N4CCOCC4)c1
1725221 7.476184875 10 5.051836929 5.961710268 NotRecorded, Nuclear factor NF-kappa-B complex, Proteasome Macropain subunit, Proteasome Macropain subunit MB1, Proteasome component C5 5 10 0.909873339 CC(C)(C)CNC(=O)C[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)N[C@@H](Cc3ccncc3)C(=O)NCc4ccccc4Cl
1726216 5.510188313 38 7.01382128 6.330689328 NotRecorded, Tubulin 2 38 -0.683131951 COc1ccc(cc1)S(=O)(=O)N2CCc3cccc(c4ccncc4)c23
1726220 5.411428632 38 6.564218594 6.386346029 NotRecorded, Tubulin 2 38 -0.177872565 COc1ccc(cc1)S(=O)(=O)N2CCc3cccc(c4occc4)c23
1732225 4.483416269 6 4.825891408 6.438526786 NotRecorded 1 6 1.612635377 CC(=O)OC[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@@]5(C)CC6=NC(C)(C)N=C6C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(=C)C
1736410 7.077931034 58 7.118426647 7.808455819 26S proteosome, NotRecorded 2 58 0.690029172 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC(COCc1ccccc1)COCc2ccccc2)NC(=O)C)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3
1736411 6.346170523 87 5.52008527 7.650918262 26S proteosome, Cathepsin B, Cathepsin G, Lysosomal protective protein, NotRecorded, Proteasome Macropain subunit MB1, Proteasome subunit beta type-8 7 87 2.130832992 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc2ccccc2)NC(=O)C)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3
1736412 6.967068966 58 7.270872884 8.15325 26S proteosome, NotRecorded 2 58 0.882377116 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCCC(COCc1ccccc1)COCc2ccccc2)NC(=O)C)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3
1736413 7.013275862 58 7.358218105 8.230635622 26S proteosome, NotRecorded 2 58 0.872417517 CC(C)C[C@H](NC(=O)[C@H](CCC(=O)NCC(COCc1ccccc1)COCc2ccccc2)NC(=O)C)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3
1736414 6.986206897 58 7.358218105 8.220061864 26S proteosome, NotRecorded 2 58 0.861843759 CC(C)C[C@H](NC(=O)[C@H](CCC(=O)NCCC(COCc1ccccc1)COCc2ccccc2)NC(=O)C)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3
1736415 7.084827586 58 7.358218105 8.230635622 26S proteosome, NotRecorded 2 58 0.872417517 CC(C)C[C@H](NC(=O)[C@H](CCC(=O)NCCCC(COCc1ccccc1)COCc2ccccc2)NC(=O)C)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3
1736416 6.614137931 58 7.270872884 8.087419237 26S proteosome, NotRecorded 2 58 0.816546354 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc2ccccc2)NC(=O)c3cc(Cl)ccc3Cl)B4O[C@@H]5C[C@@H]6C[C@@H](C6(C)C)[C@]5(C)O4
1736417 6.862931034 58 7.270872884 8.230635622 26S proteosome, NotRecorded 2 58 0.959762738 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc2ccccc2)NC(=O)c3ccccc3)B4O[C@@H]5C[C@@H]6C[C@@H](C6(C)C)[C@]5(C)O4
1736418 6.78 58 7.238542006 8.097992996 26S proteosome, NotRecorded 2 58 0.85945099 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc2ccccc2)NC(=O)c3cnccn3)B4O[C@@H]5C[C@@H]6C[C@@H](C6(C)C)[C@]5(C)O4
1736419 6.377068966 58 7.270872884 8.220061864 26S proteosome, NotRecorded 2 58 0.94918898 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc2ccccc2)NC(=O)c3cccc(n3)c4ccccc4)B5O[C@@H]6C[C@@H]7C[C@@H](C7(C)C)[C@]6(C)O5
1736420 6.179827586 58 7.358218105 8.156115493 26S proteosome, NotRecorded 2 58 0.797897388 CNC(=O)C[C@H](NC(=O)C)C(=O)N[C@@H](CC(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
1736421 6.293440105 87 5.497518233 7.710765054 26S proteosome, Cathepsin B, Cathepsin G, Lysosomal protective protein, NotRecorded, Proteasome Macropain subunit MB1, Proteasome subunit beta type-8 7 87 2.213246822 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCCCOCc1ccccc1)NC(=O)C)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2
1736422 8.0595 20 7.270190681 8.377668304 26S proteosome, NotRecorded 2 20 1.107477623 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC(COCc1ccccc1)COCc2ccccc2)NC(=O)C)B(O)O
1736730 5.558333333 6 4.913055083 4.706497476 NotRecorded 1 6 -0.206557607 CC(C)(C)[Si](C)(C)OCCN1C[C@]2(C)CCC[C@@]3(C1)[C@@H]4C[C@@H]5CC[C@]4(C(=O)C5=C)C(=O)C(=C)[C@H]23
1746900 5.136 5 3.584822907 6.57578125 NotRecorded 1 5 2.990958343 C[C@@]1(CO[C@@]2(C1)OC(=O)[C@@H]([C@H]2O)[C@@H]3CC[C@]45C[C@]34C=C[C@@H]6[C@@]7(C)CC=C8C[C@H](OC[C@]8(C)[C@@H]7CC(=O)[C@@]56C)c9ccccc9)OC(=O)C[C@@H](O)c%10ccc(O)cc%10
1749545 7.07 4 6.288587031 7.23530506 NotRecorded 1 4 0.946718029 CCOC(=O)\C(=C\[C@@H](NC(=O)[C@@H](NC(=O)\C(=C\c1cccc(OC)c1)\NC(=O)C)C(C)(C)C)C(C)C)\C
1749546 6.57024772 4 5.045092379 7.626795759 NotRecorded 1 4 2.58170338 CCOC(=O)\C(=C\[C@@H](NC(=O)[C@@H](NC(=O)\C(=C\c1ccc(OC)cc1)\NC(=O)C)C(C)(C)C)C(C)C)\C
1749607 4.806 5 5.217035539 6.407875 NotRecorded 1 5 1.190839461 COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](NC(=O)c4cnccn4)c5cc6OCOc6cc25
1749609 5.158 5 4.296347102 7.797794643 NotRecorded 1 5 3.501447541 COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](NC(=O)Cn4cnc5N(C)C(=O)N(C)C(=O)c45)c6cc7OCOc7cc26
1750168 6.989277994 18 5.250290856 5.978265625 NotRecorded, Sodium/potassium-transporting ATPase 2 18 0.727974769 C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)O[C@@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]6O
1758299 4.9075 4 4.898159285 6.770939566 NotRecorded 1 4 1.872780281 NC1=NC(=CC(=O)N1Cc2cn(nn2)c3n[nH]c4nc(ccc34)C(F)(F)F)C(F)(F)F
1763302 6.778333333 6 6.531596897 7.666633929 NotRecorded 1 6 1.135037032 CO[C@@H]1CO[C@@H](Oc2c3COC(=O)c3c(c4ccc5OCOc5c4)c6cc(OC)c(OC)cc26)[C@H](O[C@@H]7O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]7OC(=O)C)[C@H]1OC
1778904 5.44528511 6 5.833719475 4.861083209 NotRecorded, Tubulin 2 6 -0.972636266 Oc1ccc(\C=C\C(=O)N2CCN(CC2)c3ccccc3)cc1O
1782716 5.791736518 25 2.130972279 5.954565476 NotRecorded, Tubulin 2 25 3.823593197 COc1cc(cc(OC)c1OC)C(=O)n2nc(Nc3cccc(C)c3)nc2N
1782731 5.426538082 31 6.163943534 5.807845514 NotRecorded, Tubulin 2 31 -0.35609802 COc1cc(cc(OC)c1OC)C(=O)c2ccn(c2)c3cccc(Cl)c3
1782733 5.770046559 31 7.299538783 6.118030582 NotRecorded, Tubulin 2 31 -1.181508201 COc1cc(cc(OC)c1OC)C(=O)c2ccn(c2)c3ccccc3F
1782736 5.399911375 31 7.435311512 5.856746308 NotRecorded, Tubulin 2 31 -1.578565204 COc1cc(cc(OC)c1OC)C(=O)c2ccn(c2)c3cccc(F)c3
1782739 5.05 15 6.304402633 6.485 Tubulin 1 15 0.180597367 COc1cc(cc(OC)c1OC)C(=O)c2ccn(c2)c3cccc(c3)[N+](=O)[O-]
1782741 5.17 15 5.862675683 7.020625 Tubulin 1 15 1.157949317 COc1cc(cc(OC)c1OC)C(=O)c2ccn(c2)c3ccccc3N
1782753 5.846165063 31 6.580987625 5.938826953 NotRecorded, Tubulin 2 31 -0.642160673 COc1cc(cc(OC)c1OC)C(=O)c2ccn(c2)c3cccc(C)c3
1782760 5.56269074 31 6.778096801 5.957515169 NotRecorded, Tubulin 2 31 -0.820581632 COc1cc(cc(OC)c1OC)C(=O)c2ccn(c2)c3ccccc3O
1786425 5.438333333 6 3.76498377 5.860252083 NotRecorded 1 6 2.095268313 CO[C@H]1O[C@H](OC)C(=C1)[C@@H]2C[C@H]3O[C@@]34[C@@]2(C)C[C@H](O)[C@@H]5[C@@]6(C)C=CC(=O)C(C)(C)C6=C(O)C(=O)[C@@]45C
1790004 5.298939072 7 4.1622095 5.969232143 NotRecorded, Tubulin 2 7 1.807022643 [O-][N+](=O)c1ccccc1\C=C/c2ncc([N+](=O)[O-])n2CCOC(=O)c3c[nH]c4ccccc34
1792427 3.595851488 10 4.400756769 7.89703125 NotRecorded 1 10 3.496274481 CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@@H]3O[C@@H](O[C@@]4(C(=O)C[C@@](C)(O[C@]14C)C=C)[C@]23C)c5cccs5
1792432 4.721337152 10 5.364085153 4.59780625 NotRecorded 1 10 -0.766278903 CC(=O)O[C@@H]1[C@H](O)[C@@]2(C)O[C@](C)(CC(=O)[C@@]23O[C@H](O[C@H]4CCC(C)(C)[C@H]1[C@@]34C)c5ccccc5)C=C
1793559 5.195555556 36 6.836868683 6.671673026 NotRecorded, Tubulin 2 36 -0.165195657 COC(=O)Nc1nc2cc([Se]c3c[nH]c4ccccc34)ccc2[nH]1
1795692 6.9975 4 4.658358517 5.86790625 NotRecorded 1 4 1.209547733 CCCCS(=O)(=O)\N=C(/CCOC1CC(C)(C)N([O])C(C)(C)C1)\NCC(=O)O[C@]2(CC)C(=O)OCC3=C2C=C4N(Cc5cc6ccccc6nc45)C3=O
1795693 6.91 4 6.836222857 6.159433036 NotRecorded 1 4 -0.676789822 CC[C@@]1(OC(=O)CN\C(=N\S(=O)(=O)c2ccc(OC)cc2)\CCOC3CC(C)(C)N([O])C(C)(C)C3)C(=O)OCC4=C1C=C5N(Cc6cc7ccccc7nc56)C4=O
1795696 7.1525 4 6.598344926 6.043995536 NotRecorded 1 4 -0.55434939 CC[C@@]1(OC(=O)CN\C(=N\S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])\CCOC3CC(C)(C)N([O])C(C)(C)C3)C(=O)OCC4=C1C=C5N(Cc6cc7ccccc7nc56)C4=O
1795700 6.3125 4 5.46335163 5.90103125 NotRecorded 1 4 0.43767962 CC[C@@]1(OC(=O)CN\C(=N\S(=O)(=O)c2ccc3ccccc3c2)\CCOC4CC(C)(C)N([O])C(C)(C)C4)C(=O)OCC5=C1C=C6N(Cc7cc8ccccc8nc67)C5=O
1795705 6.875 4 6.056131131 6.203651786 NotRecorded 1 4 0.147520655 CC[C@@]1(OC(=O)CN\C(=N\S(=O)(=O)c2ccc(OC)cc2)\CCOCC3=CC(C)(C)N([O])C3(C)C)C(=O)OCC4=C1C=C5N(Cc6cc7ccccc7nc56)C4=O
1795735 5.328333333 6 5.620335018 6.6045 NotRecorded 1 6 0.984164982 COc1ccc(cc1)S(=O)(=O)CCOP(=O)(OCCS(=O)(=O)c2ccc(OC)cc2)OC[C@H]3O[C@H](C[C@@H]3N=[N+]=[N-])N4C=C(C)C(=O)NC4=O
1795737 4.606 5 5.973830517 6.6045 NotRecorded 1 5 0.630669483 CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(OCCS(=O)(=O)c3ccc(cc3)[N+](=O)[O-])OCCS(=O)(=O)c4ccc(cc4)[N+](=O)[O-])O2)C(=O)NC1=O
1795741 4.52 5 4.859413834 6.80603125 NotRecorded 1 5 1.946617416 CC(OP(=O)(OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])N2C=C(C)C(=O)NC2=O)OC(C)C(C)S(=O)(=O)c3ccccc3)C(C)S(=O)(=O)c4ccccc4
1796983 4.616470588 17 6.396394791 6.480391662 NotRecorded, Tubulin 2 17 0.08399687 COc1cc(cc(OC)c1OC)C(=O)\C=C\c2ccc(B(O)O)c(OC)c2
1797035 5.027647059 17 6.396394791 6.893123719 NotRecorded, Tubulin 2 17 0.496728928 COc1cc(OC)cc(\C=C/c2ccc(OC)c(c2)B(O)O)c1
1797536 5.217898612 7 5.161103828 6.968513393 NotRecorded 1 7 1.807409565 CO[C@@H]1C[C@@H](CC[C@@H]1O)C=C(C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)CC(=C[C@@H](CC=C)C(=O)C[C@H](O)[C@@H]2C)C)OC)[C@H](C[C@@H]4C)OC
1797539 5.414990335 23 4.780701688 8.27778125 NotRecorded 1 23 3.497079562 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
1797625 4.970288151 28 4.938684917 7.5325625 78 kDa glucose-regulated protein, ATPase family AAA domain-containing protein 5, Ataxin-2, DNA polymerase III, Dopamine D1 receptor, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, Niemann-Pick C1 protein, NotRecorded, Nuclear factor erythroid 2-related factor 2, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Ras-related protein Rab-9A, Regulator of G-protein signaling 4, Serine/threonine-protein kinase mTOR, Thioredoxin reductase 1- cytoplasmic, Ubiquitin carboxyl-terminal hydrolase 1 15 28 2.593877583 CC[C@@H](C)[C@H]1O[C@]2(CC[C@H]1C)C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C6CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2
1797635 7.388333333 90 5.255731026 5.954203125 Sodium/potassium-transporting ATPase 1 90 0.698472099 C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O
1798138 8 5 6.624934001 6.142098214 NotRecorded 1 5 -0.482835786 COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)C(=O)[C@H]3O[C@@H]3c4ccccc4)cc1
1798139 8.228 5 7.896144046 7.315191964 NotRecorded 1 5 -0.580952082 COc1ccc(C[C@H]2NC(=O)\C=C\C[C@@H](C[C@H]3O[C@@H]3c4ccccc4)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1
1799223 5.112293369 11 4.097420024 8.403116071 Alpha-synuclein, DNA polymerase iota, DNA polymerase kappa, Eyes absent homolog 2, Flap endonuclease 1, Mothers against decapentaplegic homolog 3, NotRecorded, Nuclear factor erythroid 2-related factor 2 8 11 4.305696047 CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccc(O)cc5S(=O)(=O)O
1799685 4.815777056 9 2.727360939 5.761701389 Ataxin-2, Cerebroside-sulfatase, Chromobox protein homolog 1, Histone-lysine N-methyltransferase- H3 lysine-9 specific 3, NotRecorded, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Regulator of G-protein signaling 4, Thioredoxin reductase 1- cytoplasmic 8 9 3.03434045 NC(=S)c1ccc[n+](c1)[C@@H]2O[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@H]([C@H](OP(=O)(O)O)[C@@H]3O)n4cnc5c(N)ncnc45)C(O)C2O
1817016 5.224 5 6.126796301 7.472625 NotRecorded 1 5 1.345828699 CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@@H](O)C(=O)[C@@H]4C(C)(C)[C@H](C[C@H](OC(=O)C)[C@@]4(C)[C@H]13)OC(=O)C)C5=C2CC[C@]6(O5)[C@@H]7C[C@H](OC(=O)C)[C@H]8[C@]9(C)[C@H](C[C@H](O)C(C)(C)[C@H]9C(=O)[C@H](OC(=O)C)[C@]8(C7)C6=O)OC(=O)C
1817017 5 5 6.126796301 7.472625 NotRecorded 1 5 1.345828699 CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@@H](OC(=O)C)C(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(=O)C)[C@@]4(C)[C@H]13)C5=C2CC[C@]6(O5)[C@@H]7C[C@H](OC(=O)C)[C@H]8[C@]9(C)[C@H](C[C@H](OC(=O)C)C(C)(C)[C@H]9C(=O)[C@H](O)[C@]8(C7)C6=O)OC(=O)C
1817018 5 5 4.109556901 7.626460938 NotRecorded 1 5 3.516904037 CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@@H](O)C(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(=O)C)[C@@]4(C)[C@H]13)C5=C2CC[C@]6(O5)[C@@H]7C[C@H](OC(=O)C)[C@H]8[C@]9(C)[C@H](C[C@H](O)C(C)(C)[C@H]9C(=O)[C@H](O)[C@]8(C7)C6=O)OC(=O)C
1817019 5 5 5.735004352 8.291977679 NotRecorded 1 5 2.556973327 CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@@H](OC(=O)C)C(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(=O)C)[C@@]4(C)[C@H]13)C(=O)[C@]25CCC6=C(O5)[C@]78C[C@H]6CC(=O)[C@H]7[C@]9(C)[C@@H](O)C[C@H](OC(=O)C)C(C)(C)[C@H]9C(=O)C8
1817021 5 5 4.884598469 6.2048125 NotRecorded 1 5 1.320214031 CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@@H](O)C(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(=O)C)[C@@]4(C)[C@H]13)C(=O)[C@H]2C[C@@]5(CO)[C@@H]6C[C@H](OC(=O)C)[C@H]7[C@]8(C)[C@H](C[C@H](O)C(C)(C)[C@H]8C(=O)[C@H](O)[C@]7(C6)C5=O)OC(=O)C
1817026 5 5 6.070084203 7.472625 NotRecorded 1 5 1.402540797 CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@@H](O)C(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(=O)C)[C@@]4(C)[C@H]13)C(=O)[C@@]25CC[C@@]56[C@@H]7C[C@H](OC(=O)C)[C@H]8[C@]9(C)[C@H](C[C@H](OC(=O)C)C(C)(C)[C@H]9C(=O)[C@H](OC(=O)C)[C@]8(C7)C6=O)OC(=O)C
1817027 5 5 3.628447438 6.64178125 NotRecorded 1 5 3.013333812 CC(=O)O[C@H]1C[C@@H]2C[C@@]3(CC(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(=O)C)[C@@]4(C)[C@H]13)C(=O)[C@]25CC[C@]56[C@@H]7C[C@H](OC(=O)C)[C@H]8[C@]9(C)[C@H](C[C@H](O)C(C)(C)[C@H]9C(=O)[C@H](OC(=O)C)[C@]8(C7)C6=O)OC(=O)C
1819107 2 5 2.302242722 6.060111607 NotRecorded 1 5 3.757868885 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]5CCCN5C(=O)[C@@H]6CCCN6C(=O)[C@H](Cc7ccccc7)NC1=O
1819962 5.53245283 53 7.481018237 5.545005054 NotRecorded, Tubulin 2 53 -1.936013183 COc1ccc(\C=C\C(=O)c2cc3SCOc3cc2OC)cc1
1824178 5.333412328 23 5.637142857 5.573355396 NotRecorded, Tubulin 2 23 -0.063787461 COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](OC(=O)C#CC)c4cc5OCOc5cc24
1825939 5.877379358 27 4.882883943 6.88796875 Androgen Receptor, NotRecorded 2 27 2.005084807 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]5CC[C@@]6(C)[C@@H](CC[C@@H]7[C@@H]6CC[C@]8(C)[C@H]([C@@H](O)C[C@]78O)C9=CC(=O)OC9)C5
1826897 5.935384615 26 4.788458333 5.020317102 NotRecorded, Tubulin 2 26 0.231858768 COc1ccc(\C=C\C(=O)c2ccccc2c3cccc(F)c3)cc1
1830096 5.431470907 11 4.277841393 6.382417614 NotRecorded 1 11 2.10457622 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@]4(C)[C@@H]2[C@H](OC(=O)c5ccccc5)[C@]6(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C([C@@H](O)C4=O)C6(C)C)C
1830097 5.087487268 11 4.918875138 6.244207386 NotRecorded 1 11 1.325332248 C\C=C(/C)\C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c7ccccc7
1830098 5.466203633 11 4.724088419 6.634636364 NotRecorded 1 11 1.910547944 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C)O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O
1830101 4.666578177 11 4.654859695 7.589107143 NotRecorded, P-glycoprotein 1 2 11 2.934247448 CC(=O)O[C@H]1C[C@H](OC\C=C\c2ccccc2)C(=C)[C@H]3[C@H](OC(=O)C)[C@@H]4CC(=O)[C@@]5(C)OC[C@@]4(C)[C@@]5(O)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@]13OC(=O)c6ccccc6
1832295 6.7025 4 6.535233333 6.620483705 DNA topoisomerase I, NotRecorded 2 4 0.085250372 CC[C@@]1(O)[C@H](OC)C(=O)OCC2=C1C=C3N(Cc4c3nc5ccccc5c4c6ccncc6)C2=O
1835454 5.807777778 9 5.936016751 5.180349802 NotRecorded, Tubulin 2 9 -0.75566695 Fc1ccc(\C=C\C(=O)Nc2cc([nH]n2)c3ccccc3)cc1
1835457 5.871111111 9 7.628047306 5.763331349 NotRecorded, Tubulin 2 9 -1.864715957 COc1ccc(\C=C/C(=O)Nc2cc([nH]n2)c3ccccc3)cc1
1835470 5.786666667 9 4.897679991 5.345914352 NotRecorded, Tubulin 2 9 0.448234361 Cc1ccc(cc1)c2cc(NC(=O)\C=C\c3ccc(F)cc3)n[nH]2
1835472 5.563333333 9 4.628929991 5.67178125 NotRecorded, Tubulin 2 9 1.042851259 Cc1ccc(\C=C\C(=O)Nc2cc([nH]n2)c3ccc(C)cc3)cc1
1835832 4.6650189 8 4.991899456 4.636834821 NotRecorded, Tubulin 2 8 -0.355064635 COc1ccc(cc1)c2cc(\C=C\3/C(=O)Nc4ccccc34)[nH]n2
1835833 5.181700171 11 5.318878901 3.817307224 NotRecorded, Tubulin 2 11 -1.501571676 COc1ccc(cc1)c2cc(\C=C\3/C(=O)Nc4ccc(Cl)cc34)[nH]n2
1835834 5.338195016 11 5.388020833 4.248753247 NotRecorded, Tubulin 2 11 -1.139267587 COc1ccc(cc1)c2cc(\C=C\3/C(=O)Nc4cc(Cl)ccc34)[nH]n2
1835835 5.099114732 10 5.682927785 3.435854911 NotRecorded, Tubulin 2 10 -2.247072874 COc1ccc(cc1)c2cc(\C=C\3/C(=O)Nc4ccc(OC)cc34)[nH]n2
1835838 4.660597498 7 4.6276875 4.523071216 NotRecorded, Tubulin 2 7 -0.104616284 COc1cc(cc(OC)c1OC)c2cc(\C=C\3/C(=O)Nc4ccccc34)[nH]n2
1835839 4.583545213 7 4.662404111 4.697142645 NotRecorded, Tubulin 2 7 0.034738533 COc1ccc(cc1OC)c2cc(\C=C\3/C(=O)Nc4ccccc34)[nH]n2
1835840 4.644749986 7 4.7759375 4.205145196 NotRecorded, Tubulin 2 7 -0.570792304 COc1ccc(cc1OC)c2cc(\C=C\3/C(=O)Nc4ccc(Cl)cc34)[nH]n2
1835841 4.757230655 7 4.7815625 3.974240434 NotRecorded, Tubulin 2 7 -0.807322066 COc1ccc(cc1OC)c2cc(\C=C\3/C(=O)Nc4cc(Cl)ccc34)[nH]n2
1835842 4.662403311 7 4.6451875 4.523071216 NotRecorded, Tubulin 2 7 -0.122116284 COc1ccc2NC(=O)\C(=C/c3cc(n[nH]3)c4ccc(OC)c(OC)c4)\c2c1
1835847 4.679721142 7 4.676 4.33309949 NotRecorded, Tubulin 2 7 -0.34290051 [O-][N+](=O)c1ccc2NC(=O)\C(=C/c3cc(n[nH]3)c4ccc5OCOc5c4)\c2c1
1835848 4.797985142 7 5.15336613 3.823233418 NotRecorded, Tubulin 2 7 -1.330132711 Clc1ccc2\C(=C\c3cc(n[nH]3)c4ccc5OCOc5c4)\C(=O)Nc2c1
1835849 4.542382269 7 4.620401674 3.669873087 NotRecorded, Tubulin 2 7 -0.950528587 Clc1ccc2NC(=O)\C(=C/c3cc(n[nH]3)c4ccc5OCOc5c4)\c2c1
1835850 4.818922323 7 4.70275 4.44897449 NotRecorded, Tubulin 2 7 -0.25377551 COc1ccc2NC(=O)\C(=C/c3cc(n[nH]3)c4ccc5OCOc5c4)\c2c1
1835852 4.578025711 7 4.56513908 4.802869898 NotRecorded, Tubulin 2 7 0.237730818 COc1ccc(cc1)c2cc(\C=C\3/C(=O)Nc4ccc(F)cc34)[nH]n2
1840778 6.115697004 5 5.626789762 6.7096875 NotRecorded 1 5 1.082897738 CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C4[C@@]3(C)CC[C@H]5C(C)(C)C(=O)C(=C[C@]45C)C#N)C(=O)N6CCC[C@H]6C(=O)OCC#CCOc7no[n+]([O-])c7S(=O)(=O)c8ccccc8
1840782 6.155697004 5 3.829556502 5.93590625 NotRecorded 1 5 2.106349748 CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C4[C@@]3(C)CC[C@H]5C(C)(C)C(=O)C(=C[C@]45C)C#N)C(=O)NCC(=O)OCCCCOc6no[n+]([O-])c6S(=O)(=O)c7ccccc7
1841831 7.235261703 10 6.135396947 6.990072321 DNA topoisomerase I, NotRecorded, Tyrosyl-DNA phosphodiesterase 1 3 10 0.854675375 Br.COc1cc2C3=C(C(=O)c2cc1O)c4ccc(cc4C(=O)N3CCCn5ccnc5)[N+](=O)[O-]
1841834 6.753761024 10 7.300527149 7.087352679 DNA topoisomerase I, NotRecorded, Tyrosyl-DNA phosphodiesterase 1 3 10 -0.21317447 Br.COc1cc2C(=O)C3=C(N(CCCn4ccnc4)C(=O)c5cc(ccc35)[N+](=O)[O-])c2cc1O
1841862 2 5 4.758383687 5.263083036 NotRecorded 1 5 0.504699348 CC1(C)CC[C@H](O)[C@]23C=N[C@@](O)([C@@H](O)[C@H]12)[C@H]4C[C@H]5C[C@H](OC(=O)C5=C)[C@@H]34
1843384 5.193333333 6 5.207237396 6.3983125 NotRecorded, Tubulin 2 6 1.191075104 COc1cc(cc(OC)c1OC)C(=O)N2N=C(CC2c3ccc4OCOc4c3)c5cccc(C)c5
1843391 4.945 6 3.352027557 5.064375 NotRecorded, Tubulin 2 6 1.712347443 COc1cc(cc(OC)c1OC)C2=NN(C(C2)c3ccc4OCOc4c3)C(=O)c5ccc(Br)cc5
1927101 6.366221114 1357 3.888769209 8.612189283 Acetylcholinesterase, Adenosine A1 receptor, Adenosine A2a receptor, Adenosine A3 receptor, Aldose reductase, Alpha-1a adrenergic receptor, Alpha-1b adrenergic receptor, Alpha-1d adrenergic receptor, Alpha-2a adrenergic receptor, Alpha-2b adrenergic receptor, Alpha-2c adrenergic receptor, Androgen Receptor, Angiotensin II type 2 (AT-2) receptor, Angiotensin-converting enzyme, Arachidonate 15-lipoxygenase, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B2 receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 4, C-C chemokine receptor type 5, Calcitonin receptor, Cannabinoid CB1 receptor, Carbonic anhydrase II, Caspase-1, Cathepsin G, Cholecystokinin A receptor, Cyclooxygenase-1, Cyclooxygenase-2, Cysteinyl leukotriene receptor 1, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, Delta opioid receptor, Dopamine D1 receptor, Dopamine D2 receptor, Dopamine D3 receptor, Dopamine D4 receptor, Dopamine transporter, Endothelin receptor ET-A, Epidermal growth factor receptor erbB1, Estrogen receptor alpha, Estrogen receptor beta, Glucocorticoid receptor, Glycine receptor, Growth hormone-releasing hormone receptor, HERG, HMG-CoA reductase, Histamine H1 receptor, Histamine H2 receptor, Insulin receptor, Interleukin-8 receptor A, Interleukin-8 receptor B, Kappa opioid receptor, Leukocyte common antigen, Leukocyte elastase, Leukotriene C4 synthase, MAP kinase ERK1, MAP kinase ERK2, MAP kinase p38 alpha, Matrix metalloproteinase 9, Matrix metalloproteinase-1, Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, Monoamine oxidase A, Mu opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Neurokinin 1 receptor, Neurokinin 2 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nitric oxide synthase- inducible, Nitric-oxide synthase- brain, Norepinephrine transporter, NotRecorded, Phosphodiesterase 5A, Platelet activating factor receptor, Progesterone receptor, Protein kinase C alpha, Receptor protein-tyrosine kinase erbB-2, Serine/threonine protein phosphatase 2B catalytic subunit- alpha isoform, Serotonin 1a (5-HT1a) receptor, Serotonin 1b (5-HT1b) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 2b (5-HT2b) receptor, Serotonin 2c (5-HT2c) receptor, Serotonin 4 (5-HT4) receptor, Serotonin 6 (5-HT6) receptor, Serotonin transporter, Serum albumin, Sigma opioid receptor, Thromboxane-A synthase, Tubulin, Tubulin alpha chain, Tyrosine-protein kinase FYN, Tyrosine-protein kinase LCK, Vascular endothelial growth factor receptor 1, Vasoactive intestinal polypeptide receptor 1, Vasopressin V1a receptor 109 1357 4.723420074 O.O.O.CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
1942240 5.338516684 17 5.091862265 7.110354167 NotRecorded 1 17 2.018491901 COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C
1946743 4.4544782 17 5.027932774 6.510708876 NotRecorded, Tubulin 2 17 1.482776102 COc1cc(cc(OC)c1O)c2nc3cnccn3c2Nc4cc(OC)c(OC)c(OC)c4
1946752 4.268789307 17 5.972924676 5.470016544 NotRecorded, Tubulin 2 17 -0.502908132 COc1ccc(Nc2c(nc3ncccn23)c4ccc(OC)c(O)c4)cc1
1947636 4.599588002 5 5.651131248 6.47603125 NotRecorded 1 5 0.824900002 CC(=CC[C@]12C[C@@H]3[C@@H]4[C@@H](O)C(C)(C)[C@H](CC4(C1=O)C(=O)[C@](C(=O)c5ccccc5)(C2=O)C3(C)C)C(C)(C)O)C
1948747 5.273173898 9 5.446303527 6.846601365 NotRecorded 1 9 1.400297838 CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)OCCSSCCOC(=O)[C@@H]6CCCN6)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C1C5(C)C)C
1950609 4.734037935 11 5.213375 6.004307292 NotRecorded, Tubulin 2 11 0.790932292 COC(=O)c1nnnn1[C@H]2[C@H]3COC(=O)[C@@H]3[C@H](c4cc(OC)c(OC)c(OC)c4)c5cc6OCOc6cc25
1956048 6.122 5 6.867079014 8.288592302 NotRecorded 1 5 1.421513288 [Na+].[Na+].CC(C)CCC[C@]1(C)OC(=O)[C@]23CC=C4[C@@H](CC[C@H]5C(C)(C)[C@H](CC[C@]45C)O[C@@H]6OC[C@@H](OS(=O)(=O)[O-])[C@H](O)[C@H]6O[C@H]7O[C@H](C)[C@H](O[C@@H]8O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@]2(C)CC(=O)[C@H]13
1956049 5.886 5 5.959233754 8.001247634 NotRecorded 1 5 2.042013881 [Na+].[Na+].C[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](CO[C@H]2O[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]5C4=CC[C@]67[C@H](C(=O)C[C@@]56C)[C@](C)(CCCC(=C)C)OC7=O)C3(C)C)OS(=O)(=O)[O-])[C@H](O)[C@@H](O)[C@H]1O[C@@H]8O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]8O
1956052 6.264 5 5.861287035 8.288592302 NotRecorded 1 5 2.427305267 [Na+].CO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](CO[C@H]4O[C@H]5CC[C@]6(C)[C@H]7CC[C@]89[C@H]([C@H](C[C@@]8(C)C7=CC[C@H]6C5(C)C)OC(=O)C)[C@](C)(CCC=C(C)C)OC9=O)OS(=O)(=O)[O-])[C@H](O)[C@H]3O)[C@@H]2O)[C@@H]1O
1957236 5.672705669 50 6.544725332 6.114866085 NotRecorded, Tubulin 2 50 -0.429859247 COc1ccc2N(CCCc2c1)c3nc(NCCCO)nc4ccccc34
1957238 5.038281321 34 6.047776523 6.226548916 NotRecorded, Tubulin 2 34 0.178772393 COc1ccc2N(CCCc2c1)c3nc(NC4CCCC4)nc5ccccc35
1963804 4.551354245 7 5.922691238 5.868026786 NotRecorded 1 7 -0.054664452 CO[C@@H]1C[C@@H](C)C[C@H]2O[C@@H]3C[C@@H]4CC[C@@H]5[C@H](CC[C@]6(C)[C@H](C[C@@H](O)[C@]56O)C7=CC(=O)OC7)[C@]4(C[C@H]3O[C@@]12O)C=O
1963805 4.332782816 7 4.484254138 6.534248087 NotRecorded 1 7 2.049993949 C[C@@H]1C[C@@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]6(C)[C@H](C[C@@H](O)[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2C1
1963806 4.569925673 7 5.948282945 5.976737883 NotRecorded 1 7 0.028454938 C[C@H]1C[C@H]2O[C@@H]3C[C@@H]4CC[C@@H]5[C@H](CC[C@]6(C)[C@H](CC[C@]56O)C7=CC(=O)OC7)[C@]4(C[C@H]3O[C@@]2(O)[C@H](O)[C@@H]1O)C=O
1963807 4.42706853 7 4.453710349 6.408553571 NotRecorded 1 7 1.954843223 C[C@H]1C[C@H]2O[C@@H]3C[C@@H]4CC[C@@H]5[C@H](CC[C@]6(C)[C@H](C[C@@H](O)[C@]56O)C7=CC(=O)OC7)[C@]4(C[C@H]3O[C@@]2(O)[C@]8(C1)SCC=N8)C=O
1965526 5.22 5 5.185505961 5.920385417 Lysine-specific demethylase 4C, Lysine-specific demethylase 4D-like, Lysine-specific demethylase 6B 3 5 0.734879456 ON(CCCCNCc1ccc(COC(=O)Nc2cccc3ccccc23)cc1)CC(=O)\C=C\C(=O)O
1967291 5.945649535 18 5.694678938 5.034017072 NotRecorded, Tubulin 2 18 -0.660661866 OCCn1ccc2c3C(=O)C=C(Nc3ccc12)c4ccccc4
1967301 6.820212319 18 6.609651407 5.139764137 NotRecorded, Tubulin 2 18 -1.469887271 OCCCn1ccc2c3C(=O)C=C(Nc3ccc12)c4ccccc4
1970346 4.253591224 5 4.624019997 6.067171429 DNA topoisomerase I, DNA topoisomerase II alpha, NotRecorded 3 5 1.443151431 Cc1ccc2N=C(NC(=O)c2c1)c3cccc4ccccc34
1970602 4.0975 4 5.382499365 6.120227679 NotRecorded 1 4 0.737728313 COc1cc(cc(OC)c1OC)c2nnc3SC(C(Nn23)c4occc4)C(=O)c5occc5
2039007 7.9775 4 6.19179388 7.10440625 NotRecorded 1 4 0.91261237 Cl.CC[C@]1(O)CC2=C(COC1=O)C(=O)N3CC4=C(CN5CCC(C)CC5)C6C=C(C)C(=CC6N=C4C3=C2)Cl

 

And a few structures corresponding to most active compounds