ABT-888(Veliparib).cdx
csChFnd80/10201610212D

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PARP

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Free Base

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912444-00-9

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ABT-888(Veliparib).cdx

$$$$
untitled.cdx
csChFnd80/10201610212D

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19

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C21H23N3O2

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>  <Item Name> (2)
Panobinostat

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S1030

>  <Synonyms> (2)
N/A

>  <Target> (2)
HDAC

>  <Form> (2)
Free Base

>  <URL> (2)
http://www.selleckchem.com/products/LBH-589.html

>  <CAS Number> (2)
404950-80-7

>  <ALogP> (2)
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untitled.cdx

$$$$
Trichostatin A.cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (3)
30

>  <Formula> (3)
C17H22N2O3

>  <MolWeight> (3)
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>  <Item Name> (3)
Trichostatin A (TSA)

>  <Catalog Number> (3)
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>  <Synonyms> (3)
TSA

>  <Target> (3)
HDAC

>  <Form> (3)
Free Base

>  <URL> (3)
http://www.selleckchem.com/products/Trichostatin-A.html

>  <CAS Number> (3)
58880-19-6

>  <ALogP> (3)
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>  <Name> (3)
Trichostatin A.cdx

$$$$
vorinostat.cdx
csChFnd80/10201610212D

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>  <Formula> (4)
C14H20N2O3

>  <MolWeight> (4)
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>  <Item Name> (4)
Vorinostat (SAHA)

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S1047

>  <Synonyms> (4)
Zolinza, MK-0683

>  <Target> (4)
HDAC

>  <Form> (4)
Free Base

>  <URL> (4)
http://www.selleckchem.com/products/Vorinostat-(SAHA).html

>  <CAS Number> (4)
149647-78-9

>  <ALogP> (4)
2.005

>  <HBA_Count> (4)
2

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vorinostat.cdx

$$$$
untitled.cdx
csChFnd80/10201610212D

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>  <Mol_ID> (5)
33

>  <Formula> (5)
C23H28N8OS

>  <MolWeight> (5)
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>  <Item Name> (5)
VX-680 (MK-0457, Tozasertib)

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>  <Synonyms> (5)
N/A

>  <Target> (5)
Aurora Kinase

>  <Form> (5)
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HDAC

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S1095

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N/A

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HDAC

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Free Base

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http://www.selleckchem.com/products/LAQ824(NVP-LAQ824).html

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404951-53-7

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3.045

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Aurora Kinase

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125

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>  <Synonyms> (26)
N/A

>  <Target> (26)
HDAC, EGFR, HER2

>  <Form> (26)
Free Base

>  <URL> (26)
http://www.selleckchem.com/products/CUDC-101.html

>  <CAS Number> (26)
1012054-59-9

>  <ALogP> (26)
5.376

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5

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2

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>  <Name> (26)
S119401 CUDC-101.cdx

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/10201610212D

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>  <Mol_ID> (27)
129

>  <Formula> (27)
C8H12N4O4

>  <MolWeight> (27)
228.20528

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Decitabine

>  <Catalog Number> (27)
S1200

>  <Synonyms> (27)
Dacogen

>  <Target> (27)
DNA/RNA Synthesis

>  <Form> (27)
Free Base

>  <URL> (27)
http://www.selleckchem.com/products/Decitabine.html

>  <CAS Number> (27)
2353-33-5

>  <ALogP> (27)
-1.093

>  <HBA_Count> (27)
4

>  <HBD_Count> (27)
3

>  <Num_RotatableBonds> (27)
2

>  <Name> (27)
decitabine (2¡ä-deoxy-5-azacytidine).cdx

$$$$
2-Methoxyestradiol.cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (28)
150

>  <Formula> (28)
C19H26O3

>  <MolWeight> (28)
302.40794

>  <Item Name> (28)
2-Methoxyestradiol

>  <Catalog Number> (28)
S1233

>  <Synonyms> (28)
2-ME2

>  <Target> (28)
HIF

>  <Form> (28)
Free Base

>  <URL> (28)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

>  <CAS Number> (28)
362-07-2

>  <ALogP> (28)
3.821

>  <HBA_Count> (28)
1

>  <HBD_Count> (28)
2

>  <Num_RotatableBonds> (28)
1

>  <Name> (28)
2-Methoxyestradiol.cdx

$$$$
JNJ-7706621.cdx
csChFnd80/10201610212D

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>  <Mol_ID> (29)
156

>  <Formula> (29)
C15H12F2N6O3S

>  <MolWeight> (29)
394.3559864

>  <Item Name> (29)
JNJ-7706621

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S1249

>  <Synonyms> (29)
N/A

>  <Target> (29)
CDK, Aurora Kinase

>  <Form> (29)
Free Base

>  <URL> (29)
http://www.selleckchem.com/products/JNJ-7706621.html

>  <CAS Number> (29)
443797-96-4

>  <ALogP> (29)
2.226

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5

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3

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4

>  <Name> (29)
JNJ-7706621.cdx

$$$$
resveratrol.cdx
csChFnd80/10201610212D

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>  <Mol_ID> (30)
265

>  <Formula> (30)
C14H12O3

>  <MolWeight> (30)
228.24328

>  <Item Name> (30)
Resveratrol

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S1396

>  <Synonyms> (30)
N/A

>  <Target> (30)
Sirtuin

>  <Form> (30)
Free Base

>  <URL> (30)
http://www.selleckchem.com/products/Resveratrol.html

>  <CAS Number> (30)
501-36-0

>  <ALogP> (30)
3.09

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0

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3

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>  <Name> (30)
resveratrol.cdx

$$$$
Droxinostat.cdx
csChFnd80/10201610212D

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>  <Mol_ID> (31)
279

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Droxinostat

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HDAC

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Free Base

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99873-43-5

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Droxinostat.cdx

$$$$
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Aurora Kinase

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Free Base

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1158838-45-9

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Aurora A Inhibitor I.cdx

$$$$
PHA-6806320.cdx
csChFnd80/10201610212D

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Aurora Kinase

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$$$$
FG-4592.cdx
csChFnd80/10201610212D

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HIF

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$$$$
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>  <Mol_ID> (39)
379

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C27H30Cl2F2N6O

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NVP-BSK805 2HCl

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S2686

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N/A

>  <Target> (39)
JAK

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HCl

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http://www.selleckchem.com/products/nvp-bsk805.html

>  <CAS Number> (39)
1092499-93-8 (free base)

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3.92

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4

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1

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5

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (40)
479

>  <Formula> (40)
C8H12N4O5

>  <MolWeight> (40)
244.20468

>  <Item Name> (40)
Azacitidine (Vidaza)

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S1782

>  <Synonyms> (40)
5-azacytidine, Mylosar, Ladakamycin

>  <Target> (40)
DNA/RNA Synthesis

>  <Form> (40)
Free Base

>  <URL> (40)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

>  <CAS Number> (40)
320-67-2

>  <ALogP> (40)
-2.505

>  <HBA_Count> (40)
4

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4

>  <Num_RotatableBonds> (40)
2

>  <Name> (40)
VIDAZA (azacitidine).cdx

$$$$
Baricitinib.cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (41)
493

>  <Formula> (41)
C16H17N7O2S

>  <MolWeight> (41)
371.41688

>  <Item Name> (41)
Baricitinib (LY3009104)

>  <Catalog Number> (41)
S2851

>  <Synonyms> (41)
INCB 28050

>  <Target> (41)
JAK

>  <Form> (41)
Free Base

>  <URL> (41)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

>  <CAS Number> (41)
1187594-09-7

>  <ALogP> (41)
0.36

>  <HBA_Count> (41)
5

>  <HBD_Count> (41)
1

>  <Num_RotatableBonds> (41)
5

>  <Name> (41)
Baricitinib.cdx

$$$$
Quercetin.cdx
csChFnd80/10201610212D

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>  <Mol_ID> (42)
548

>  <Formula> (42)
C15H10O7

>  <MolWeight> (42)
302.2357

>  <Item Name> (42)
Quercetin (Sophoretin)

>  <Catalog Number> (42)
S2391

>  <Synonyms> (42)
Meletin, Quercetine

>  <Target> (42)
PI3K, PKC, Src, Sirtuin

>  <Form> (42)
Free Base

>  <URL> (42)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

>  <CAS Number> (42)
117-39-5

>  <ALogP> (42)
1.63

>  <HBA_Count> (42)
2

>  <HBD_Count> (42)
5

>  <Num_RotatableBonds> (42)
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>  <Name> (42)
Quercetin.cdx

$$$$
KW2449.cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (43)
579

>  <Formula> (43)
C20H20N4O

>  <MolWeight> (43)
332.399

>  <Item Name> (43)
KW 2449

>  <Catalog Number> (43)
S2158

>  <Synonyms> (43)
N/A

>  <Target> (43)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (43)
Free Base

>  <URL> (43)
http://www.selleckchem.com/products/KW-2449.html

>  <CAS Number> (43)
1000669-72-6

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2.723

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2

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2

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3

>  <Name> (43)
KW2449.cdx

$$$$

csChFnd80/10201610212D

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C28H21N7OS

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N/A

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Aurora Kinase

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Free Base

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http://www.selleckchem.com/products/amg-900.html

>  <CAS Number> (52)
945595-80-2

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AMG900.cdx

$$$$
CP-690550 citrate.cdx
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763

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Tofacitinib citrate (CP-690550 citrate)

>  <Catalog Number> (53)
S5001

>  <Synonyms> (53)
N/A

>  <Target> (53)
JAK

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Citrate

>  <URL> (53)
http://www.selleckchem.com/products/CP-690550.html

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540737-29-9

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0.193

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1

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>  <Name> (53)
CP-690550 citrate.cdx

$$$$
TG101348.cdx
csChFnd80/10201610212D

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>  <Mol_ID> (54)
852

>  <Formula> (54)
C27H36N6O3S

>  <MolWeight> (54)
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>  <Item Name> (54)
Fedratinib (SAR302503, TG101348)

>  <Catalog Number> (54)
S2736

>  <Synonyms> (54)
N/A

>  <Target> (54)
JAK

>  <Form> (54)
Free Base

>  <URL> (54)
http://www.selleckchem.com/products/tg-101348.html

>  <CAS Number> (54)
936091-26-8

>  <ALogP> (54)
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>  <Name> (54)
TG101348.cdx

$$$$
MK-5108.cdx
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Aurora Kinase

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HDAC

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Tubastatin A hydrochloride.cdx

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>  <URL> (59)
http://www.selleckchem.com/products/cudc-907.html

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1339928-25-4

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CUDC-907.cdx

$$$$
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csChFnd80/10201610212D

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C16H25N3O3

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M344

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S2779

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N/A

>  <Target> (60)
HDAC

>  <Form> (60)
Free Base

>  <URL> (60)
http://www.selleckchem.com/products/m344.html

>  <CAS Number> (60)
251456-60-7

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2.004

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2

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M344.cdx

$$$$
CP-690550.cdx
csChFnd80/10201610212D

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998

>  <Formula> (61)
C16H20N6O

>  <MolWeight> (61)
312.3696

>  <Item Name> (61)
Tofacitinib (CP-690550, Tasocitinib)

>  <Catalog Number> (61)
S2789

>  <Synonyms> (61)
Tasocitinib

>  <Target> (61)
JAK

>  <Form> (61)
Free Base

>  <URL> (61)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

>  <CAS Number> (61)
477600-75-2

>  <ALogP> (61)
1.512

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3

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1

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3

>  <Name> (61)
CP-690550.cdx

$$$$
WP1066.cdx
csChFnd80/10201610212D

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1001

>  <Formula> (62)
C17H14BrN3O

>  <MolWeight> (62)
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>  <Item Name> (62)
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>  <Synonyms> (62)
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JAK

>  <Form> (62)
Free Base

>  <URL> (62)
http://www.selleckchem.com/products/wp1066.html

>  <CAS Number> (62)
857064-38-1

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3.566

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1

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4

>  <Name> (62)
WP1066.cdx

$$$$
romidepsin(depsipeptide,FK228).cdx
csChFnd80/10201610212D

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>  <Mol_ID> (63)
1003

>  <Formula> (63)
C24H36N4O6S2

>  <MolWeight> (63)
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>  <Item Name> (63)
Romidepsin (FK228 ,depsipeptide)

>  <Catalog Number> (63)
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>  <Synonyms> (63)
N/A

>  <Target> (63)
HDAC

>  <Form> (63)
Free Base

>  <URL> (63)
http://www.selleckchem.com/products/Romidepsin-FK228.html

>  <CAS Number> (63)
128517-07-7

>  <ALogP> (63)
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romidepsin(depsipeptide,FK228).cdx

$$$$
Sirtinol.cdx
csChFnd80/10201610212D

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>  <Target> (69)
JAK, EGFR

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Free Base

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WHI-P154.cdx

$$$$
S-Ruxolitinib.cdx
csChFnd80/10201610212D

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1158

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C17H18N6

>  <MolWeight> (70)
306.36502

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S-Ruxolitinib

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S2902

>  <Synonyms> (70)
N/A

>  <Target> (70)
JAK

>  <Form> (70)
Free Base

>  <URL> (70)
http://www.selleckchem.com/products/s-ruxolitinib.html

>  <CAS Number> (70)
941685-37-6

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>  <Name> (70)
S-Ruxolitinib.cdx

$$$$
IOX2.cdx
csChFnd80/10201610212D

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>  <Mol_ID> (71)
1180

>  <Formula> (71)
C19H16N2O5

>  <MolWeight> (71)
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IOX2

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S2919

>  <Synonyms> (71)
N/A

>  <Target> (71)
HIF

>  <Form> (71)
Free Base

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http://www.selleckchem.com/products/iox2.html

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931398-72-0

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3

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2

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5

>  <Name> (71)
IOX2.cdx

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/10201610212D

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>  <Mol_ID> (72)
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>  <Formula> (72)
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SMI-4a

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N/A

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Pim

>  <Form> (72)
Free Base

>  <URL> (72)
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>  <CAS Number> (72)
438190-29-5

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>  <Name> (72)
pim inhibitor I(SMI-4a).cdx

$$$$
BIX01294 3HCl.cdx
csChFnd80/10201610212D

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Methyltransferase

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HCl

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BIX01294 3HCl.cdx

$$$$
ACY-1215.cdx
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M  END
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1337

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C19H14F2N6O

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Talazoparib (BMN 673)

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LT-673

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PARP

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Free Base

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http://www.selleckchem.com/products/bmn-673.html

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1207456-01-6

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BMN 673.cdx

$$$$
(+)-JQ1.cdx
csChFnd80/10201610212D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (79)
1356

>  <Formula> (79)
C23H25ClN4O2S

>  <MolWeight> (79)
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>  <Item Name> (79)
(+)-JQ1

>  <Catalog Number> (79)
S7110

>  <Synonyms> (79)
N/A

>  <Target> (79)
BET

>  <Form> (79)
Free Base

>  <URL> (79)
http://www.selleckchem.com/products/jq1.html

>  <CAS Number> (79)
1268524-70-4

>  <ALogP> (79)
4.953

>  <HBA_Count> (79)
5

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0

>  <Num_RotatableBonds> (79)
5

>  <Name> (79)
(+)-JQ1.cdx

$$$$
GSK J4 HCL.cdx
csChFnd80/10201610212D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (80)
1362

>  <Formula> (80)
C24H28ClN5O2

>  <MolWeight> (80)
453.96442

>  <Item Name> (80)
GSK J4 HCl

>  <Catalog Number> (80)
S7070

>  <Synonyms> (80)
N/A

>  <Target> (80)
Others

>  <Form> (80)
HCl

>  <URL> (80)
http://www.selleckchem.com/products/gsk-j4-hcl.html

>  <CAS Number> (80)
1373423-53-0(free base)

>  <ALogP> (80)
4.663

>  <HBA_Count> (80)
5

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>  <Name> (80)
GSK J4 HCL.cdx

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/10201610212D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (81)
1366

>  <Formula> (81)
C20H21N3O2

>  <MolWeight> (81)
335.39964

>  <Item Name> (81)
Tubastatin A

>  <Catalog Number> (81)
S8049

>  <Synonyms> (81)
N/A

>  <Target> (81)
HDAC

>  <Form> (81)
Free Base

>  <URL> (81)
http://www.selleckchem.com/products/tubastatin-a.html

>  <CAS Number> (81)
1252003-15-8

>  <ALogP> (81)
3.081

>  <HBA_Count> (81)
1

>  <HBD_Count> (81)
1

>  <Num_RotatableBonds> (81)
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>  <Name> (81)
Tubastatin A hydrochloride.cdx

$$$$
sodium phenylbutyrate.cdx
csChFnd80/10201610212D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (82)
1398

>  <Formula> (82)
C10H11NaO2

>  <MolWeight> (82)
186.18291

>  <Item Name> (82)
Sodium Phenylbutyrate

>  <Catalog Number> (82)
S4125

>  <Synonyms> (82)
N/A

>  <Target> (82)
HDAC

>  <Form> (82)
Free Base

>  <URL> (82)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

>  <CAS Number> (82)
1716-12-7

>  <ALogP> (82)
2.497

>  <HBA_Count> (82)
2

>  <HBD_Count> (82)
0

>  <Num_RotatableBonds> (82)
5

>  <Name> (82)
sodium phenylbutyrate.cdx

$$$$
Zebularine.cdx
csChFnd80/10201610212D

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M  CFW   2 BOND_GSTEREO 5
M  END
>  <Mol_ID> (83)
1406

>  <Formula> (83)
C9H12N2O5

>  <MolWeight> (83)
228.20198

>  <Item Name> (83)
Zebularine

>  <Catalog Number> (83)
S7113

>  <Synonyms> (83)
N/A

>  <Target> (83)
DNA Methyltransferase

>  <Form> (83)
Free Base

>  <URL> (83)
https://www.selleckchem.com/products/zebularine.html

>  <CAS Number> (83)
3690-10-6

>  <ALogP> (83)
-1.747

>  <HBA_Count> (83)
3

>  <HBD_Count> (83)
3

>  <Num_RotatableBonds> (83)
2

>  <Name> (83)
Zebularine.cdx

$$$$
AZD 2461.cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (84)
1410

>  <Formula> (84)
C22H22FN3O3

>  <MolWeight> (84)
395.4267832

>  <Item Name> (84)
AZD2461

>  <Catalog Number> (84)
S7029

>  <Synonyms> (84)
N/A

>  <Target> (84)
PARP

>  <Form> (84)
Free Base

>  <URL> (84)
https://www.selleckchem.com/products/azd2461.html

>  <CAS Number> (84)
1174043-16-3

>  <ALogP> (84)
1.993

>  <HBA_Count> (84)
4

>  <HBD_Count> (84)
1

>  <Num_RotatableBonds> (84)
4

>  <Name> (84)
AZD 2461.cdx

$$$$
Scriptaid (GCK 1026).cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (85)
1414

>  <Formula> (85)
C18H18N2O4

>  <MolWeight> (85)
326.34652

>  <Item Name> (85)
Scriptaid

>  <Catalog Number> (85)
S8043

>  <Synonyms> (85)
Scriptide, GCK 1026

>  <Target> (85)
HDAC

>  <Form> (85)
Free Base

>  <URL> (85)
https://www.selleckchem.com/products/scriptaid.html

>  <CAS Number> (85)
287383-59-9

>  <ALogP> (85)
2.119

>  <HBA_Count> (85)
3

>  <HBD_Count> (85)
1

>  <Num_RotatableBonds> (85)
6

>  <Name> (85)
Scriptaid (GCK 1026).cdx

$$$$
EPZ004777.cdx
csChFnd80/10201610212D

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1421

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>  <Item Name> (86)
EPZ004777

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N/A

>  <Target> (86)
Histone Methyltransferase

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Free Base

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csChFnd80/10201610212D

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HDAC

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C17H20N6O4S

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N/A

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Epigenetic Reader Domain

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Free Base

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>  <Formula> (89)
C10H8BrN5OS

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PaTrin-2

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DNA Methyltransferase

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>  <Mol_ID> (90)
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C9H12ClNR

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MAO

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Salt

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JAK

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    3.5757    5.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3952    6.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4009    7.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6481    8.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3250    7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3250    5.6157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7498    7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9623    7.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  7 11  2  0  0  0  0
  6  8  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  1 14  1  0  0  0  0
  2 13  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
  9 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
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 18 23  2  0  0  0  0
 21 24  1  0  0  0  0
  5 18  1  0  0  0  0
  3 25  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (92)
1594

>  <Formula> (92)
C22H22ClN5O2

>  <MolWeight> (92)
423.89538

>  <Item Name> (92)
I-BET-762

>  <Catalog Number> (92)
S7189

>  <Synonyms> (92)
GSK525762, GSK525762A

>  <Target> (92)
Epigenetic Reader Domain

>  <Form> (92)
Free Base

>  <URL> (92)
http://www.selleckchem.com/products/i-bet-762.html

>  <CAS Number> (92)
1260907-17-2

>  <ALogP> (92)
3.288

>  <HBA_Count> (92)
5

>  <HBD_Count> (92)
1

>  <Num_RotatableBonds> (92)
5

>  <Name> (92)
GSK525762 (I-BET-762).cdx

$$$$
RGFP966.cdx
csChFnd80/10201610212D

 27 29  0  0  0  0  0  0  0  0999 V2000
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   10.1346    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
  4 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 18 12  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (93)
1599

>  <Formula> (93)
C21H19FN4O

>  <MolWeight> (93)
362.4001632

>  <Item Name> (93)
RGFP966

>  <Catalog Number> (93)
S7229

>  <Synonyms> (93)
N/A

>  <Target> (93)
HDAC

>  <Form> (93)
Free Base

>  <URL> (93)
http://www.selleckchem.com/products/rgfp966.html

>  <CAS Number> (93)
1396841-57-8

>  <ALogP> (93)
3.242

>  <HBA_Count> (93)
2

>  <HBD_Count> (93)
2

>  <Num_RotatableBonds> (93)
6

>  <Name> (93)
RGFP966.cdx

$$$$
ZM39923 HCl.cdx
csChFnd80/10201610212D

 26 27  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5 14  2  0  0  0  0
  9 14  1  0  0  0  0
  1  6  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 15 16  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
 15 19  1  0  0  0  0
  3 15  1  0  0  0  0
M  END
>  <Mol_ID> (94)
1603

>  <Formula> (94)
C23H26ClNO

>  <MolWeight> (94)
367.91164

>  <Item Name> (94)
ZM 39923 HCl

>  <Catalog Number> (94)
S8004

>  <Synonyms> (94)
N/A

>  <Target> (94)
JAK

>  <Form> (94)
HCl

>  <URL> (94)
http://www.selleckchem.com/products/zm-39923-hcl.html

>  <CAS Number> (94)
1021868-92-7

>  <ALogP> (94)
5.424

>  <HBA_Count> (94)
1

>  <HBD_Count> (94)
0

>  <Num_RotatableBonds> (94)
7

>  <Name> (94)
ZM39923 HCl.cdx

$$$$
SGC 0946.cdx
csChFnd80/10201610212D

 40 43  0  0  0  0  0  0  0  0999 V2000
    2.4248    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0704    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2827    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9199    2.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9199    4.2022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1323    4.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3797    4.2666    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5994    2.8791    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.9869    2.6593    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6246    3.9110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6313    4.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0074    4.1300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6095    1.8892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6224    1.4120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0007    3.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2524    3.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0325    5.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6451    5.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9273    1.7338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1054    0.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3570    1.6065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4306    3.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6779    3.6448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0224    6.1518    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 23  1  0  0  0  0
 26 28  1  1  0  0  0
 24 29  1  6  0  0  0
 25 30  1  6  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 28  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  2  0  0  0  0
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 38 32  1  0  0  0  0
 38 39  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (95)
1606

>  <Formula> (95)
C28H40BrN7O4

>  <MolWeight> (95)
618.5657

>  <Item Name> (95)
SGC 0946

>  <Catalog Number> (95)
S7079

>  <Synonyms> (95)
N/A

>  <Target> (95)
Histone Methyltransferase

>  <Form> (95)
Free Base

>  <URL> (95)
http://www.selleckchem.com/products/sgc-0946.html

>  <ALogP> (95)
3.278

>  <HBA_Count> (95)
4

>  <HBD_Count> (95)
5

>  <Num_RotatableBonds> (95)
10

>  <Name> (95)
SGC 0946.cdx

$$$$
SGI-1027.cdx
csChFnd80/10201610212D

 35 39  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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HMTase Inhibitor IX

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Histone Methyltransferase

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MM-102.cdx

$$$$
Pacritinib (SB1518).cdx
csChFnd80/10201610212D

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JAK

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937272-79-2

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Pacritinib (SB1518).cdx

$$$$
RG2833 (RGFP109).cdx
csChFnd80/10201610212D

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HDAC

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RG2833 (RGFP109).cdx

$$$$
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M  END
>  <Mol_ID> (116)
1848

>  <Formula> (116)
C22H28O3

>  <MolWeight> (116)
340.45592

>  <Item Name> (116)
MG149

>  <Catalog Number> (116)
S7476

>  <Synonyms> (116)
N/A

>  <Target> (116)
Histone Acetyltransferase

>  <Form> (116)
Free Base

>  <URL> (116)
http://www.selleckchem.com/products/mg149.html

>  <CAS Number> (116)
1243583-85-8

>  <ALogP> (116)
6.872

>  <HBA_Count> (116)
1

>  <HBD_Count> (116)
1

>  <Num_RotatableBonds> (116)
10

>  <Name> (116)
MG149.cdx

$$$$
Procainamide hydrochloride.cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (117)
1882

>  <Formula> (117)
C13H22ClN3O

>  <MolWeight> (117)
271.78628

>  <Item Name> (117)
Procainamide HCl

>  <Catalog Number> (117)
S4294

>  <Synonyms> (117)
N/A

>  <Target> (117)
Sodium Channel

>  <Form> (117)
Salt

>  <URL> (117)
http://www.selleckchem.com/products/procainamide-hcl.html

>  <CAS Number> (117)
614-39-1

>  <ALogP> (117)
1.509

>  <HBA_Count> (117)
1

>  <HBD_Count> (117)
2

>  <Num_RotatableBonds> (117)
6

>  <Name> (117)
Procainamide hydrochloride.cdx

$$$$
3-deazaneplanocin A (DZNeP).cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (118)
1889

>  <Formula> (118)
C12H15ClN4O3

>  <MolWeight> (118)
298.7255

>  <Item Name> (118)
3-deazaneplanocin A (DZNeP) HCl

>  <Catalog Number> (118)
S7120

>  <Synonyms> (118)
N/A

>  <Target> (118)
Histone Methyltransferase

>  <Form> (118)
Free Base

>  <URL> (118)
http://www.selleckchem.com/products/3-deazaneplanocin-a-dznep.html

>  <CAS Number> (118)
120964-45-6

>  <ALogP> (118)
-0.776

>  <HBA_Count> (118)
2

>  <HBD_Count> (118)
4

>  <Num_RotatableBonds> (118)
2

>  <Name> (118)
3-deazaneplanocin A (DZNeP).cdx

$$$$
R-Ruxolitinib.cdx
csChFnd80/10201610212D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (119)
1901

>  <Formula> (119)
C17H18N6

>  <MolWeight> (119)
306.36502

>  <Item Name> (119)
Ruxolitinib (INCB018424)

>  <Catalog Number> (119)
S1378

>  <Synonyms> (119)
N/A

>  <Target> (119)
JAK

>  <Form> (119)
Free Base

>  <URL> (119)
http://www.selleckchem.com/products/INCB18424.html

>  <CAS Number> (119)
941678-49-5

>  <ALogP> (119)
2.88

>  <HBA_Count> (119)
3

>  <HBD_Count> (119)
1

>  <Num_RotatableBonds> (119)
4

>  <Name> (119)
R-Ruxolitinib.cdx

$$$$
filgotinib.cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (120)
1909

>  <Formula> (120)
C21H23N5O3S

>  <MolWeight> (120)
425.50402

>  <Item Name> (120)
Filgotinib£¨GLPG0643)

>  <Catalog Number> (120)
S7605

>  <Synonyms> (120)
N/A

>  <Target> (120)
JAK

>  <Form> (120)
Free Base

>  <URL> (120)
http://www.selleckchem.com/products/filgotinib.html

>  <CAS Number> (120)
1206161-97-8

>  <ALogP> (120)
2.461

>  <HBA_Count> (120)
5

>  <HBD_Count> (120)
1

>  <Num_RotatableBonds> (120)
5

>  <Name> (120)
filgotinib.cdx

$$$$
PFI-3.cdx
csChFnd80/10201610212D

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    7.2746    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2646    3.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  1  0  0  0
 14 16  1  1  0  0  0
  7 17  2  0  0  0  0
  4 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (121)
1912

>  <Formula> (121)
C19H19N3O2

>  <MolWeight> (121)
321.37306

>  <Item Name> (121)
PFI-3

>  <Catalog Number> (121)
S7315

>  <Synonyms> (121)
N/A

>  <Target> (121)
Epigenetic Reader Domain

>  <Form> (121)
Free Base

>  <URL> (121)
http://www.selleckchem.com/products/pfi-3.html

>  <ALogP> (121)
2.438

>  <HBA_Count> (121)
2

>  <HBD_Count> (121)
1

>  <Num_RotatableBonds> (121)
4

>  <Name> (121)
PFI-3.cdx

$$$$
Anacardic Acid.cdx
csChFnd80/10201610212D

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (122)
1918

>  <Formula> (122)
C22H36O3

>  <MolWeight> (122)
348.51944

>  <Item Name> (122)
Anacardic Acid

>  <Catalog Number> (122)
S7582

>  <Synonyms> (122)
6-pentadecylsalicylic Acid

>  <Target> (122)
Histone Acetyltransferase

>  <Form> (122)
Free Base

>  <URL> (122)
http://www.selleckchem.com/products/anacardic-acid.html

>  <CAS Number> (122)
16611-84-0

>  <ALogP> (122)
8.09

>  <HBA_Count> (122)
1

>  <HBD_Count> (122)
1

>  <Num_RotatableBonds> (122)
15

>  <Name> (122)
Anacardic Acid.cdx

$$$$
PFI-2.cdx
csChFnd80/10201610212D

 34 37  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2544    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.2544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5669    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8321    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  3 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  2  0  0  0  0
 14 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 17 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 17  1  0  0  0  0
M  END
>  <Mol_ID> (123)
1929

>  <Formula> (123)
C23H25F4N3O3S

>  <MolWeight> (123)
499.5215128

>  <Item Name> (123)
PFI-2

>  <Catalog Number> (123)
S7294

>  <Synonyms> (123)
N/A

>  <Target> (123)
Histone Methyltransferase

>  <Form> (123)
Free Base

>  <URL> (123)
http://www.selleckchem.com/products/pfi-2.html

>  <CAS Number> (123)
1627676-59-8

>  <ALogP> (123)
3.268

>  <HBA_Count> (123)
3

>  <HBD_Count> (123)
2

>  <Num_RotatableBonds> (123)
7

>  <Name> (123)
PFI-2.cdx

$$$$
MI-3.cdx
csChFnd80/10201610212D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.8876   11.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    9.8067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    9.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    9.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124   11.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   11.9067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    9.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4668   10.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439   11.6393    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    7.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    5.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.9067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    5.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9674    2.6838    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  2  0  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
M  END
>  <Mol_ID> (124)
1930

>  <Formula> (124)
C18H25N5S2

>  <MolWeight> (124)
375.5546

>  <Item Name> (124)
MI-3 (Menin-MLL Inhibitor)

>  <Catalog Number> (124)
S7619

>  <Synonyms> (124)
N/A

>  <Target> (124)
Histone Methyltransferase

>  <Form> (124)
Free Base

>  <URL> (124)
http://www.selleckchem.com/products/mi-3-menin-mll-inhibitor.html

>  <CAS Number> (124)
1271738-59-0

>  <ALogP> (124)
4.168

>  <HBA_Count> (124)
3

>  <HBD_Count> (124)
0

>  <Num_RotatableBonds> (124)
3

>  <Name> (124)
MI-3.cdx

$$$$
Remodelin.cdx
csChFnd80/10201610212D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.6887    5.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996    4.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0219    6.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0110    7.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0548    3.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8655    2.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1263    1.8971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  9  1  0  0  0  0
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M  CFW  16 B_NG_STER 2
M  END
>  <Mol_ID> (125)
1932

>  <Formula> (125)
C15H15BrN4S

>  <MolWeight> (125)
363.2754

>  <Item Name> (125)
Remodelin

>  <Catalog Number> (125)
S7641

>  <Synonyms> (125)
N/A

>  <Target> (125)
Histone Acetyltransferase

>  <Form> (125)
Free Base

>  <URL> (125)
http://www.selleckchem.com/products/remodelin.html

>  <CAS Number> (125)
1622921-15-6

>  <ALogP> (125)
4.031

>  <HBA_Count> (125)
2

>  <HBD_Count> (125)
1

>  <Num_RotatableBonds> (125)
3

>  <Name> (125)
Remodelin.cdx

$$$$
Tubacin.cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (126)
1937

>  <Formula> (126)
C41H43N3O7S

>  <MolWeight> (126)
721.86102

>  <Item Name> (126)
Tubacin

>  <Catalog Number> (126)
S2239

>  <Synonyms> (126)
N/A

>  <Target> (126)
HDAC

>  <Form> (126)
Free Base

>  <URL> (126)
http://www.selleckchem.com/products/Tubacin.html

>  <CAS Number> (126)
537049-40-4

>  <ALogP> (126)
7.181

>  <HBA_Count> (126)
6

>  <HBD_Count> (126)
3

>  <Num_RotatableBonds> (126)
16

>  <Name> (126)
Tubacin.cdx

$$$$
PJ34.cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (127)
1943

>  <Formula> (127)
C17H18ClN3O2

>  <MolWeight> (127)
331.79672

>  <Item Name> (127)
PJ34 hcl

>  <Catalog Number> (127)
S7300

>  <Synonyms> (127)
N/A

>  <Target> (127)
PARP

>  <Form> (127)
Salt

>  <URL> (127)
http://www.selleckchem.com/products/pj34-hcl.html

>  <CAS Number> (127)
344458-15-7

>  <ALogP> (127)
1.811

>  <HBA_Count> (127)
2

>  <HBD_Count> (127)
2

>  <Num_RotatableBonds> (127)
3

>  <Name> (127)
PJ34.cdx

$$$$
MI-2 (Menin-MLL inhibitor).cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (128)
1956

>  <Formula> (128)
C18H25N5S2

>  <MolWeight> (128)
375.5546

>  <Item Name> (128)
MI-2 (Menin-MLL inhibitor)

>  <Catalog Number> (128)
S7618

>  <Synonyms> (128)
N/A

>  <Target> (128)
Histone Methyltransferase

>  <Form> (128)
Free Base

>  <URL> (128)
http://www.selleckchem.com/products/mi-2-menin-mll-inhibitor.html

>  <CAS Number> (128)
1271738-62-5

>  <ALogP> (128)
4.161

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3

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0

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4

>  <Name> (128)
MI-2 (Menin-MLL inhibitor).cdx

$$$$
UNC0631.cdx
csChFnd80/10201610212D

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>  <Target> (129)
Histone Methyltransferase

>  <Form> (129)
Free Base

>  <URL> (129)
http://www.selleckchem.com/products/unc0631.html

>  <CAS Number> (129)
1320288-19-4

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>  <Formula> (130)
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>  <MolWeight> (130)
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>  <Item Name> (130)
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S7680

>  <Synonyms> (130)
N/A

>  <Target> (130)
Histone Demethylase

>  <Form> (130)
Free Base

>  <URL> (130)
http://www.selleckchem.com/products/sp2509.html

>  <CAS Number> (130)
1423715-09-6

>  <ALogP> (130)
1.891

>  <HBA_Count> (130)
5

>  <HBD_Count> (130)
2

>  <Num_RotatableBonds> (130)
5

>  <Name> (130)
SP2509.cdx

$$$$
GSK1324726A (I-BET726).cdx
csChFnd80/10201610212D

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N/A

>  <Target> (131)
Epigenetic Reader Domain

>  <Form> (131)
Free Base

>  <URL> (131)
http://www.selleckchem.com/products/gsk1324726a-i-bet726.html

>  <CAS Number> (131)
1300031-52-0

>  <ALogP> (131)
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1

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4

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GSK1324726A (I-BET726).cdx

$$$$
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>  <Mol_ID> (132)
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>  <Formula> (132)
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>  <MolWeight> (132)
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>  <Item Name> (132)
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S7611

>  <Synonyms> (132)
N/A

>  <Target> (132)
Histone Methyltransferase

>  <Form> (132)
Free Base

>  <URL> (132)
http://www.selleckchem.com/products/ei1.html

>  <CAS Number> (132)
1418308-27-6

>  <ALogP> (132)
3.54

>  <HBA_Count> (132)
2

>  <HBD_Count> (132)
2

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>  <Name> (132)
EI1.cdx

$$$$
BRD4770.cdx
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Histone Methyltransferase

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Free Base

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http://www.selleckchem.com/products/brd4770.html

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1374601-40-7

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N/A

>  <Target> (134)
Epigenetic Reader Domain

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Free Base

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1395084-25-9

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3.573

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5

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MS436.cdx

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>  <Mol_ID> (135)
1991

>  <Formula> (135)
C21H23N3O2

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349.42622

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S7296

>  <Synonyms> (135)
N/A

>  <Target> (135)
Histone Demethylase

>  <Form> (135)
Free Base

>  <URL> (135)
http://www.selleckchem.com/products/ml324.html

>  <CAS Number> (135)
1222800-79-4

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2.701

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2

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2

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>  <Name> (135)
ML234.cdx

$$$$
4SC-202.cdx
csChFnd80/10201610212D

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>  <Mol_ID> (136)
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HDAC

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>  <Name> (136)
4SC-202.cdx

$$$$
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M  END
>  <Mol_ID> (137)
1997

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OF-1

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S7681

>  <Synonyms> (137)
N/A

>  <Target> (137)
Epigenetic Reader Domain

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Free Base

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http://www.selleckchem.com/products/of-1.html

>  <CAS Number> (137)
919973-83-4

>  <ALogP> (137)
2.81

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4

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1

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4

>  <Name> (137)
OF-1.cdx

$$$$
UNC0379.cdx
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>  <Mol_ID> (138)
2017

>  <Formula> (138)
C23H35N5O2

>  <MolWeight> (138)
413.5563

>  <Item Name> (138)
UNC0379

>  <Catalog Number> (138)
S7570

>  <Synonyms> (138)
N/A

>  <Target> (138)
Histone Methyltransferase

>  <Form> (138)
Free Base

>  <URL> (138)
http://www.selleckchem.com/products/unc0379.html

>  <CAS Number> (138)
1620401-82-2

>  <ALogP> (138)
4.545

>  <HBA_Count> (138)
4

>  <HBD_Count> (138)
1

>  <Num_RotatableBonds> (138)
10

>  <Name> (138)
UNC0379.cdx

$$$$
GSK-LSD1  dihydrochloride.cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (139)
2019

>  <Formula> (139)
C14H22Cl2N2

>  <MolWeight> (139)
289.24388

>  <Item Name> (139)
GSK-LSD1 2HCl

>  <Catalog Number> (139)
S7574

>  <Synonyms> (139)
N/A

>  <Target> (139)
Histone Demethylase

>  <Form> (139)
Salt

>  <URL> (139)
http://www.selleckchem.com/products/gsk-lsd1-2hcl.html

>  <CAS Number> (139)
1431368-48-7

>  <ALogP> (139)
1.964

>  <HBA_Count> (139)
0

>  <HBD_Count> (139)
2

>  <Num_RotatableBonds> (139)
3

>  <Name> (139)
GSK-LSD1  dihydrochloride.cdx

$$$$
EPZ015666.cdx
csChFnd80/10201610212D

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>  <Mol_ID> (140)
2024

>  <Formula> (140)
C20H25N5O3

>  <MolWeight> (140)
383.4442

>  <Item Name> (140)
EPZ015666

>  <Catalog Number> (140)
S7748

>  <Synonyms> (140)
N/A

>  <Target> (140)
Histone Methyltransferase

>  <Form> (140)
Free Base

>  <URL> (140)
http://www.selleckchem.com/products/epz015666.html

>  <CAS Number> (140)
1616391-65-1

>  <ALogP> (140)
1.038

>  <HBA_Count> (140)
4

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3

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>  <Name> (140)
EPZ015666.cdx

$$$$
GSK J1.cdx
csChFnd80/10201610212D

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Histone Methyltransferase

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Histone Methyltransferase

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M  END
>  <Mol_ID> (150)
2217

>  <Formula> (150)
C18H20N2O3

>  <MolWeight> (150)
312.363

>  <Item Name> (150)
AR-42 (HDAC-42)

>  <Catalog Number> (150)
S2244

>  <Synonyms> (150)
OSU-HDAC42

>  <Target> (150)
HDAC

>  <Form> (150)
Free Base

>  <URL> (150)
http://www.selleckchem.com/products/AR-42-HDAC-42.html

>  <CAS Number> (150)
935881-37-1

>  <ALogP> (150)
2.834

>  <HBA_Count> (150)
2

>  <HBD_Count> (150)
2

>  <Num_RotatableBonds> (150)
5

>  <Name> (150)
AR-42.cdx

$$$$
Gemcitabine hydrochloride.cdx
csChFnd80/10201610212D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (151)
2220

>  <Formula> (151)
C9H12ClF2N3O4

>  <MolWeight> (151)
299.6590864

>  <Item Name> (151)
Gemcitabine HCl (Gemzar)

>  <Catalog Number> (151)
S1149

>  <Synonyms> (151)
Gemzar

>  <Target> (151)
DNA/RNA Synthesis

>  <Form> (151)
Hydrochloride

>  <URL> (151)
http://www.selleckchem.com/products/Gemcitabine-Hydrochloride(Gemzar).html

>  <CAS Number> (151)
122111-03-9

>  <ALogP> (151)
-1.012

>  <HBA_Count> (151)
3

>  <HBD_Count> (151)
3

>  <Num_RotatableBonds> (151)
2

>  <Name> (151)
Gemcitabine hydrochloride.cdx

$$$$
Carboplatin.cdx
csChFnd80/10201610212D

 13 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (152)
2221

>  <Formula> (152)
C6H12N2O4Pt

>  <MolWeight> (152)
371.24848

>  <Item Name> (152)
Carboplatin

>  <Catalog Number> (152)
S1215

>  <Synonyms> (152)
Paraplatin

>  <Target> (152)
DNA/RNA Synthesis

>  <Form> (152)
Free Base

>  <URL> (152)
http://www.selleckchem.com/products/Carboplatin.html

>  <CAS Number> (152)
41575-94-4

>  <ALogP> (152)
-3

>  <HBA_Count> (152)
0

>  <HBD_Count> (152)
0

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2

>  <Name> (152)
Carboplatin.cdx

$$$$
Mizoribine.cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (153)
2230

>  <Formula> (153)
C9H13N3O6

>  <MolWeight> (153)
259.21602

>  <Item Name> (153)
Mizoribine (Bredinin)

>  <Catalog Number> (153)
S1384

>  <Synonyms> (153)
HE 69

>  <Target> (153)
DNA/RNA Synthesis

>  <Form> (153)
Free Base

>  <URL> (153)
http://www.selleckchem.com/products/Mizoribine.html

>  <CAS Number> (153)
50924-49-7

>  <ALogP> (153)
-2.409

>  <HBA_Count> (153)
3

>  <HBD_Count> (153)
5

>  <Num_RotatableBonds> (153)
3

>  <Name> (153)
Mizoribine.cdx

$$$$
DEPOCYT (cytarabine).cdx
csChFnd80/10201610212D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (154)
2240

>  <Formula> (154)
C9H13N3O5

>  <MolWeight> (154)
243.21662

>  <Item Name> (154)
Cytarabine

>  <Catalog Number> (154)
S1648

>  <Synonyms> (154)
N/A

>  <Target> (154)
Others

>  <Form> (154)
Free Base

>  <URL> (154)
http://www.selleckchem.com/products/Cytarabine(Cytosar-U).html

>  <CAS Number> (154)
147-94-4

>  <ALogP> (154)
-2.396

>  <HBA_Count> (154)
3

>  <HBD_Count> (154)
4

>  <Num_RotatableBonds> (154)
2

>  <Name> (154)
DEPOCYT (cytarabine).cdx

$$$$
Daphnetin.cdx
csChFnd80/10201610212D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (155)
2254

>  <Formula> (155)
C9H6O4

>  <MolWeight> (155)
178.14154

>  <Item Name> (155)
Daphnetin

>  <Catalog Number> (155)
S2554

>  <Synonyms> (155)
N/A

>  <Target> (155)
DNA/RNA Synthesis

>  <Form> (155)
Free Base

>  <URL> (155)
http://www.selleckchem.com/products/Daphnetin.html

>  <CAS Number> (155)
486-35-1

>  <ALogP> (155)
1.415

>  <HBA_Count> (155)
2

>  <HBD_Count> (155)
2

>  <Num_RotatableBonds> (155)
0

>  <Name> (155)
Daphnetin.cdx

$$$$
GSK1070916.cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (156)
2274

>  <Formula> (156)
C30H33N7O

>  <MolWeight> (156)
507.62932

>  <Item Name> (156)
GSK1070916

>  <Catalog Number> (156)
S2740

>  <Synonyms> (156)
N/A

>  <Target> (156)
Aurora Kinase

>  <Form> (156)
Free Base

>  <URL> (156)
http://www.selleckchem.com/products/gsk1070916.html

>  <CAS Number> (156)
942918-07-2

>  <ALogP> (156)
4.841

>  <HBA_Count> (156)
3

>  <HBD_Count> (156)
2

>  <Num_RotatableBonds> (156)
7

>  <Name> (156)
GSK1070916.cdx

$$$$
Procarbazine Hydrochloride.cdx
csChFnd80/10201610212D

 17 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (157)
2278

>  <Formula> (157)
C12H20ClN3O

>  <MolWeight> (157)
257.7597

>  <Item Name> (157)
Procarbazine hydrochloride (Matulane)

>  <Catalog Number> (157)
S1995

>  <Synonyms> (157)
N/A

>  <Target> (157)
DNA/RNA

>  <Form> (157)
Hydrochloride

>  <URL> (157)
http://www.selleckchem.com/products/procarbazine-hydrochloride-matulane.html

>  <CAS Number> (157)
366-70-1

>  <ALogP> (157)
1.12

>  <HBA_Count> (157)
1

>  <HBD_Count> (157)
3

>  <Num_RotatableBonds> (157)
5

>  <Name> (157)
Procarbazine Hydrochloride.cdx

$$$$
Pirarubicin.cdx
csChFnd80/10201610212D

 47 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (158)
2288

>  <Formula> (158)
C32H37NO12

>  <MolWeight> (158)
627.63568

>  <Item Name> (158)
Pirarubicin

>  <Catalog Number> (158)
S1393

>  <Synonyms> (158)
N/A

>  <Target> (158)
Topoisomerase

>  <Form> (158)
Free Base

>  <URL> (158)
http://www.selleckchem.com/products/Pirarubicin.html

>  <CAS Number> (158)
72496-41-4

>  <ALogP> (158)
1.091

>  <HBA_Count> (158)
8

>  <HBD_Count> (158)
4

>  <Num_RotatableBonds> (158)
7

>  <Name> (158)
Pirarubicin.cdx

$$$$
Daptomycin.cdx
csChFnd80/10201610212D

115118  0  0  0  0  0  0  0  0999 V2000
   24.1081   12.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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103060-53-3

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Daptomycin.cdx

$$$$
Nedaplatin.cdx
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Nedaplatin

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DNA/RNA Synthesis

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Free Base

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95734-82-0

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Nedaplatin.cdx

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/10201610212D

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>  <Mol_ID> (161)
2336

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C25H31N7O6

>  <MolWeight> (161)
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>  <Item Name> (161)
ENMD-2076 L-(+)-Tartaric acid

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S2018

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N/A

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FLT3

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Free Base

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1291074-87-7

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ENMD-2076 L-(+)-Tartaric acid.cdx

$$$$
Blasticidin S hydrochloride.cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (162)
2337

>  <Formula> (162)
C17H27ClN8O5

>  <MolWeight> (162)
458.89988

>  <Item Name> (162)
Blasticidin S HCl

>  <Catalog Number> (162)
S7419

>  <Synonyms> (162)
Blasticidine S HCl

>  <Target> (162)
DNA/RNA Synthesis

>  <Form> (162)
Salt

>  <URL> (162)
http://www.selleckchem.com/products/blasticidin-s-hcl.html

>  <CAS Number> (162)
3513-03-9

>  <ALogP> (162)
-5.035

>  <HBA_Count> (162)
5

>  <HBD_Count> (162)
4

>  <Num_RotatableBonds> (162)
9

>  <Name> (162)
Blasticidin S hydrochloride.cdx

$$$$
LM-3334 VX-509.cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (163)
2361

>  <Formula> (163)
C18H19F3N6O

>  <MolWeight> (163)
392.3782696

>  <Item Name> (163)
Decernotinib (VX-509)

>  <Catalog Number> (163)
S7541

>  <Synonyms> (163)
N/A

>  <Target> (163)
JAK

>  <Form> (163)
Free Base

>  <URL> (163)
http://www.selleckchem.com/products/decernotinib-vx-509.html

>  <CAS Number> (163)
944842-54-0

>  <ALogP> (163)
2.747

>  <HBA_Count> (163)
4

>  <HBD_Count> (163)
3

>  <Num_RotatableBonds> (163)
7

>  <Name> (163)
LM-3334 VX-509.cdx

$$$$
Mitomycin C.cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (164)
2367

>  <Formula> (164)
C15H18N4O5

>  <MolWeight> (164)
334.32722

>  <Item Name> (164)
Mitomycin C

>  <Catalog Number> (164)
S8146

>  <Synonyms> (164)
N/A
N/A
N/A

>  <Target> (164)
DNA/RNA Synthesis

>  <Form> (164)
Free Base

>  <URL> (164)
http://www.selleckchem.com/products/mitomycin-c.html

>  <CAS Number> (164)
50-07-7

>  <ALogP> (164)
-1.547

>  <HBA_Count> (164)
5

>  <HBD_Count> (164)
3

>  <Num_RotatableBonds> (164)
4

>  <Name> (164)
Mitomycin C.cdx

$$$$
NVP-TNKS656.cdx
csChFnd80/10201610212D

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M  END
>  <Mol_ID> (165)
2369

>  <Formula> (165)
C27H34N4O5

>  <MolWeight> (165)
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>  <Item Name> (165)
NVP-TNKS656

>  <Catalog Number> (165)
S7238

>  <Synonyms> (165)
N/A

>  <Target> (165)
PARP

>  <Form> (165)
Free Base

>  <URL> (165)
http://www.selleckchem.com/products/nvp-tnks656.html

>  <CAS Number> (165)
1419949-20-4

>  <ALogP> (165)
1.014

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>  <Name> (165)
NVP-TNKS656.cdx

$$$$
SGC707.cdx
csChFnd80/10201610212D

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STAT

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2395

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C30H28N6O6S4

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Chaetocin

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S8068

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N/A

>  <Target> (171)
Histone Methyltransferase

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Free Base

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http://www.selleckchem.com/products/chaetocin.html

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28097-03-2

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Chaetocin.cdx

$$$$
EPZ011989.cdx
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N/A

>  <Target> (172)
Histone Methyltransferase

>  <Form> (172)
Salt

>  <URL> (172)
http://www.selleckchem.com/products/epz011989.html

>  <CAS Number> (172)
1598383-40-4(free base)

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4.287

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2

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EPZ011989.cdx

$$$$
AZ6102.cdx
csChFnd80/10201610212D

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AZ-6102

>  <Target> (173)
PPAR

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Free Base

>  <URL> (173)
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1645286-75-4

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>  <Name> (173)
AZ6102.cdx

$$$$
Oclacitinib maleate.cdx
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    3.7563    2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.6273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1236    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3318    3.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    5.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3318    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  2  0  0  0  0
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  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  1  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 24 25  2  0  0  0  0
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 26 29  2  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (174)
2414

>  <Formula> (174)
C19H27N5O6S

>  <MolWeight> (174)
453.51258

>  <Item Name> (174)
Oclacitinib maleate

>  <Catalog Number> (174)
S8195

>  <Synonyms> (174)
PF-03394197

>  <Target> (174)
JAK

>  <Form> (174)
Free Base

>  <URL> (174)
http://www.selleckchem.com/products/oclacitinib-maleate.html

>  <CAS Number> (174)
1640292-55-2

>  <ALogP> (174)
1.758

>  <HBA_Count> (174)
6

>  <HBD_Count> (174)
2

>  <Num_RotatableBonds> (174)
7

>  <Name> (174)
Oclacitinib maleate.cdx

$$$$
PF-CBP1.cdx
csChFnd80/10201610212D

 37 40  0  0  0  0  0  0  0  0999 V2000
    3.4282    4.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
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 18 22  1  0  0  0  0
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 25 18  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 21  1  0  0  0  0
 25 31  1  0  0  0  0
 22 32  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (175)
2418

>  <Formula> (175)
C29H37ClN4O3

>  <MolWeight> (175)
525.08208

>  <Item Name> (175)
PF-CBP1

>  <Catalog Number> (175)
S8180

>  <Synonyms> (175)
N/A

>  <Target> (175)
Epigenetic Reader Domain

>  <Form> (175)
Salt

>  <URL> (175)
http://www.selleckchem.com/products/pf-cbp1.html

>  <ALogP> (175)
5.432

>  <HBA_Count> (175)
5

>  <HBD_Count> (175)
0

>  <Num_RotatableBonds> (175)
10

>  <Name> (175)
PF-CBP1.cdx

$$$$
GSK591 (EPZ015866, GSK3203591).cdx
csChFnd80/10201610212D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.1395    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7146    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
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 28  8  1  0  0  0  0
M  END
>  <Mol_ID> (176)
2421

>  <Formula> (176)
C22H28N4O2

>  <MolWeight> (176)
380.48332

>  <Item Name> (176)
GSK591 (EPZ015866,GSK3203591)

>  <Catalog Number> (176)
S8111

>  <Synonyms> (176)
EPZ015866, GSK3203591

>  <Target> (176)
Histone Methyltransferase

>  <Form> (176)
Free Base

>  <URL> (176)
http://www.selleckchem.com/products/gsk591-epz015866-gsk3203591.html

>  <CAS Number> (176)
1616391-87-7

>  <ALogP> (176)
2.467

>  <HBA_Count> (176)
2

>  <HBD_Count> (176)
3

>  <Num_RotatableBonds> (176)
7

>  <Name> (176)
GSK591 (EPZ015866, GSK3203591).cdx

$$$$
HLCL-61.cdx
csChFnd80/10201610212D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  9  5  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (177)
2426

>  <Formula> (177)
C23H25ClN2O

>  <MolWeight> (177)
380.9104

>  <Item Name> (177)
HLCL-61 hydrochloride

>  <Catalog Number> (177)
S8209

>  <Synonyms> (177)
HLCL61

>  <Target> (177)
Histone Methyltransferase

>  <Form> (177)
Salt

>  <URL> (177)
http://www.selleckchem.com/products/hlcl-61-hydrochloride.html

>  <CAS Number> (177)
1158279-20-9

>  <ALogP> (177)
5.364

>  <HBA_Count> (177)
1

>  <HBD_Count> (177)
1

>  <Num_RotatableBonds> (177)
6

>  <Name> (177)
HLCL-61.cdx

$$$$
I-BRD9 (GSK602).cdx
csChFnd80/10201610212D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (178)
2427

>  <Formula> (178)
C22H22F3N3O3S2

>  <MolWeight> (178)
497.5535896

>  <Item Name> (178)
I-BRD9 (GSK602)

>  <Catalog Number> (178)
S7835

>  <Synonyms> (178)
GSK602

>  <Target> (178)
Epigenetic Reader Domain

>  <Form> (178)
Free Base

>  <URL> (178)
http://www.selleckchem.com/products/i-brd9-gsk602.html

>  <CAS Number> (178)
1714146-59-4

>  <ALogP> (178)
2.779

>  <HBA_Count> (178)
3

>  <HBD_Count> (178)
1

>  <Num_RotatableBonds> (178)
6

>  <Name> (178)
I-BRD9 (GSK602).cdx

$$$$
APTSTAT3-9R.cdx
csChFnd80/10201610212D

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http://www.selleckchem.com/products/bi-7273.html

>  <CAS Number> (180)
1883429-21-7

>  <ALogP> (180)
1.301

>  <HBA_Count> (180)
4

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0

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>  <Name> (180)
BI-7273.cdx

$$$$
A-366.cdx
csChFnd80/10201610212D

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>  <Mol_ID> (181)
2497

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C19H27N3O2

>  <MolWeight> (181)
329.43658

>  <Item Name> (181)
A-366

>  <Catalog Number> (181)
S7572

>  <Synonyms> (181)
N/A

>  <Target> (181)
Histone Methyltransferase

>  <Form> (181)
Free Base

>  <URL> (181)
http://www.selleckchem.com/products/a-366.html

>  <CAS Number> (181)
1527503-11-2

>  <ALogP> (181)
2.467

>  <HBA_Count> (181)
3

>  <HBD_Count> (181)
1

>  <Num_RotatableBonds> (181)
6

>  <Name> (181)
A-366.cdx

$$$$
MK-4827(Niraparib) tosylate.cdx
csChFnd80/10201610212D

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>  <Mol_ID> (182)
2636

>  <Formula> (182)
C26H28N4O4S

>  <MolWeight> (182)
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>  <Item Name> (182)
MK-4827(Niraparib) tosylate

>  <Catalog Number> (182)
S7625

>  <Synonyms> (182)
Niraparib tosylate, MK 4827 tosylate

>  <Target> (182)
PARP

>  <Form> (182)
4-?methylbenzen

>  <URL> (182)
http://www.selleckchem.com/products/mk-4827-niraparib-tosylate.html

>  <CAS Number> (182)
1038915-73-9

>  <ALogP> (182)
4.267

>  <HBA_Count> (182)
2

>  <HBD_Count> (182)
2

>  <Num_RotatableBonds> (182)
4

>  <Name> (182)
MK-4827(Niraparib) tosylate.cdx

$$$$
ITSA-1 (ITSA1).cdx
csChFnd80/10201610212D

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2638

>  <Formula> (183)
C13H7Cl2N3O

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>  <Item Name> (183)
ITSA-1 (ITSA1)

>  <Catalog Number> (183)
S8323

>  <Synonyms> (183)
N/A

>  <Target> (183)
HDAC

>  <Form> (183)
Free Base

>  <URL> (183)
http://www.selleckchem.com/products/itsa-1-itsa1.html

>  <CAS Number> (183)
200626-61-5

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4.418

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0

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1

>  <Name> (183)
ITSA-1 (ITSA1).cdx

$$$$
Ellagic acid.cdx
csChFnd80/10201610212D

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>  <Mol_ID> (184)
2668

>  <Formula> (184)
C14H6O8

>  <MolWeight> (184)
302.19264

>  <Item Name> (184)
Ellagic acid

>  <Catalog Number> (184)
S1327

>  <Synonyms> (184)
N/A

>  <Target> (184)
Topoisomerases

>  <Form> (184)
Free Base

>  <URL> (184)
http://www.selleckchem.com/products/Ellagic-acid.html

>  <CAS Number> (184)
476-66-4

>  <ALogP> (184)
1.584

>  <Num_RotatableBonds> (184)
0

>  <Name> (184)
Ellagic acid.cdx

$$$$
ofloxacin.cdx
csChFnd80/10201610212D

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>  <Mol_ID> (185)
2669

>  <Formula> (185)
C18H20FN3O4

>  <MolWeight> (185)
361.3675032

>  <Item Name> (185)
Ofloxacin (Floxin)

>  <Catalog Number> (185)
S1463

>  <Synonyms> (185)
DL-8280, HOE-280, Exocin, Flobacin, Floxin, Floxil, Monoflocet

>  <Target> (185)
Topoisomerase

>  <Form> (185)
Free Base

>  <URL> (185)
http://www.selleckchem.com/products/Ofloxacin(Floxin).html

>  <CAS Number> (185)
82419-36-1

>  <ALogP> (185)
-1.374

>  <Num_RotatableBonds> (185)
2

>  <Name> (185)
ofloxacin.cdx

$$$$
CHIBROXIN (norfloxacin).cdx
csChFnd80/10201610212D

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>  <Mol_ID> (186)
2671

>  <Formula> (186)
C16H18FN3O3

>  <MolWeight> (186)
319.3308232

>  <Item Name> (186)
Norfloxacin (Norxacin)

>  <Catalog Number> (186)
S1509

>  <Synonyms> (186)
Chibroxin, MK-366, Baccidal, Sebercim, Zoroxin

>  <Target> (186)
Others

>  <Form> (186)
Free Base

>  <URL> (186)
http://www.selleckchem.com/products/Norfloxacin(Norxacin).html

>  <CAS Number> (186)
70458-96-7

>  <ALogP> (186)
-1.411

>  <Num_RotatableBonds> (186)
3

>  <Name> (186)
CHIBROXIN (norfloxacin).cdx

$$$$
