S7448.cdx
csChFnd80/05221716012D

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Immunology & Inflammation related

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Complex

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475473-26-8

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S7448.cdx

$$$$
Ritonavir.cdx
csChFnd80/05221716012D

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>  <Mol_ID> (2)
115

>  <Formula> (2)
C37H48N6O5S2

>  <MolWeight> (2)
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>  <Item Name> (2)
Ritonavir

>  <Catalog Number> (2)
S1185

>  <Synonyms> (2)
Norvir, Norvir Softgel

>  <Target> (2)
HIV Protease

>  <Form> (2)
Free Base

>  <URL> (2)
http://www.selleckchem.com/products/Ritonavir.html

>  <CAS Number> (2)
155213-67-5

>  <ALogP> (2)
4.978

>  <HBA_Count> (2)
6

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4

>  <Num_RotatableBonds> (2)
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>  <Name> (2)
Ritonavir.cdx

$$$$
Altretamine.cdx
csChFnd80/05221716012D

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C9H18N6

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Altretamine (Hexalen)

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S1278

>  <Synonyms> (3)
Hexalen

>  <Target> (3)
DNA alkylator

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Free Base

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

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645-05-6

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1.995

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3

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0

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Altretamine.cdx

$$$$
Celastrol.cdx
csChFnd80/05221716012D

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>  <Mol_ID> (4)
176

>  <Formula> (4)
C29H38O4

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450.60962

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Celastrol

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S1290

>  <Synonyms> (4)
N/A

>  <Target> (4)
Proteasome

>  <Form> (4)
Free Base

>  <URL> (4)
http://www.selleckchem.com/products/Celastrol.html

>  <CAS Number> (4)
34157-83-0

>  <ALogP> (4)
5.475

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2

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>  <Name> (4)
Celastrol.cdx

$$$$
FLAGYL (metronidazole).cdx
csChFnd80/05221716012D

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>  <Mol_ID> (5)
198

>  <Formula> (5)
C6H9N3O3

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Metronidazole (Flagyl)

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S1907

>  <Synonyms> (5)
Nidagyl, Mepagyl, Anagiardil, Bayer 5360, NSC 50364, NSC69587

>  <Target> (5)
DNA/RNA Synthesis

>  <Form> (5)
Free Base

>  <URL> (5)
http://www.selleckchem.com/products/Metronidazole(Flagyl).html

>  <CAS Number> (5)
443-48-1

>  <ALogP> (5)
-0.337

>  <HBA_Count> (5)
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FLAGYL (metronidazole).cdx

$$$$
GANTANOL (sulfamethoxazole).cdx
csChFnd80/05221716012D

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M  END
>  <Mol_ID> (6)
201

>  <Formula> (6)
C10H11N3O3S

>  <MolWeight> (6)
253.27764

>  <Item Name> (6)
Sulfamethoxazole

>  <Catalog Number> (6)
S1915

>  <Synonyms> (6)
Gantanol

>  <Target> (6)
Antifection

>  <Form> (6)
Free Base

>  <URL> (6)
http://www.selleckchem.com/products/Sulfamethoxazole.html

>  <CAS Number> (6)
723-46-6

>  <ALogP> (6)
0.709

>  <HBA_Count> (6)
4

>  <HBD_Count> (6)
2

>  <Num_RotatableBonds> (6)
3

>  <Name> (6)
GANTANOL (sulfamethoxazole).cdx

$$$$
GANTRISIN (sulfisoxazole).cdx
csChFnd80/05221716012D

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M  END
>  <Mol_ID> (7)
202

>  <Formula> (7)
C11H13N3O3S

>  <MolWeight> (7)
267.30422

>  <Item Name> (7)
Sulfisoxazole

>  <Catalog Number> (7)
S1916

>  <Synonyms> (7)
Sulfafurazole, Gantrisin Pediatric

>  <Target> (7)
Antifection

>  <Form> (7)
Free Base

>  <URL> (7)
http://www.selleckchem.com/products/Sulfisoxazole.html

>  <CAS Number> (7)
127-69-5

>  <ALogP> (7)
0.918

>  <HBA_Count> (7)
4

>  <HBD_Count> (7)
2

>  <Num_RotatableBonds> (7)
3

>  <Name> (7)
GANTRISIN (sulfisoxazole).cdx

$$$$
Megestrol Acetate.cdx
csChFnd80/05221716012D

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>  <Mol_ID> (8)
217

>  <Formula> (8)
C24H32O4

>  <MolWeight> (8)
384.50848

>  <Item Name> (8)
Megestrol Acetate

>  <Catalog Number> (8)
S1304

>  <Synonyms> (8)
Megace, Megace ES

>  <Target> (8)
Androgen Receptor

>  <Form> (8)
Free Base

>  <URL> (8)
http://www.selleckchem.com/products/Megestrol-Acetate.html

>  <CAS Number> (8)
595-33-5

>  <ALogP> (8)
3.505

>  <HBA_Count> (8)
4

>  <HBD_Count> (8)
0

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>  <Name> (8)
Megestrol Acetate.cdx

$$$$
Gatifloxacin.cdx
csChFnd80/05221716012D

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>  <Mol_ID> (9)
231

>  <Formula> (9)
C19H22FN3O4

>  <MolWeight> (9)
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>  <Item Name> (9)
Gatifloxacin

>  <Catalog Number> (9)
S1340

>  <Synonyms> (9)
Gatiflo,Tequin and Zymar

>  <Target> (9)
Topoisomerase

>  <Form> (9)
Free Base

>  <URL> (9)
http://www.selleckchem.com/products/Gatifloxacin.html

>  <CAS Number> (9)
112811-59-3

>  <ALogP> (9)
-0.909

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1

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4

>  <Name> (9)
Gatifloxacin.cdx

$$$$
LOPINAVIR (lopinavir).cdx
csChFnd80/05221716012D

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Lopinavir (ABT-378)

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S1380

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ABT-378

>  <Target> (10)
HIV Protease

>  <Form> (10)
Free Base

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

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192725-17-0

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LOPINAVIR (lopinavir).cdx

$$$$
Meropenem.cdx
csChFnd80/05221716012D

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>  <Mol_ID> (11)
253

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C17H25N3O5S

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Meropenem

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S1381

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Merrem, Meronem

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Antifection

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Free Base

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96036-03-2

>  <ALogP> (11)
-4.129

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3

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2

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5

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Meropenem.cdx

$$$$
Stavudine.cdx
csChFnd80/05221716012D

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264

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C10H12N2O4

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224.21328

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Stavudine (d4T)

>  <Catalog Number> (12)
S1398

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Zerit

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Reverse Transcriptase

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Free Base

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3056-17-5

>  <ALogP> (12)
-0.515

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3

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2

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2

>  <Name> (12)
Stavudine.cdx

$$$$
Tenofovir(PMPA).cdx
csChFnd80/05221716012D

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>  <Mol_ID> (13)
266

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C9H14N5O4P

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Tenofovir (Viread)

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S1401

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Viread

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Reverse Transcriptase

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147127-20-6

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Tenofovir(PMPA).cdx

$$$$
Tigecycline.cdx
csChFnd80/05221716012D

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268

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C29H39N5O8

>  <MolWeight> (14)
585.64866

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Tigecycline

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S1403

>  <Synonyms> (14)
Tygacil, GAR-936, WAY-GAR-936, TBG-MINO

>  <Target> (14)
Antifection

>  <Form> (14)
Free Base

>  <URL> (14)
http://www.selleckchem.com/products/Tigecycline.html

>  <CAS Number> (14)
220620-09-7

>  <ALogP> (14)
-0.381

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>  <HBD_Count> (14)
6

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7

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Tigecycline.cdx

$$$$
Linezolid.cdx
csChFnd80/05221716012D

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>  <Mol_ID> (15)
272

>  <Formula> (15)
C16H20FN3O4

>  <MolWeight> (15)
337.3461032

>  <Item Name> (15)
Linezolid (Zyvox)

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S1408

>  <Synonyms> (15)
Zyvoxid, Zyvoxam

>  <Target> (15)
Antifection

>  <Form> (15)
Free Base

>  <URL> (15)
http://www.selleckchem.com/products/Linezolid(Zyvox).html

>  <CAS Number> (15)
165800-03-3

>  <ALogP> (15)
0.894

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4

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1

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4

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Linezolid.cdx

$$$$
Moxifloxacin hydrochloride.cdx
csChFnd80/05221716012D

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>  <Mol_ID> (16)
303

>  <Formula> (16)
C21H25ClFN3O4

>  <MolWeight> (16)
437.8923032

>  <Item Name> (16)
Moxifloxacin hydrochloride

>  <Catalog Number> (16)
S1465

>  <Synonyms> (16)
Avelox, Avalox

>  <Target> (16)
Topoisomerase

>  <Form> (16)
Hydrochloride

>  <URL> (16)
http://www.selleckchem.com/products/Moxifloxacin.html

>  <CAS Number> (16)
186826-86-8

>  <ALogP> (16)
-0.32

>  <HBA_Count> (16)
3

>  <HBD_Count> (16)
1

>  <Num_RotatableBonds> (16)
4

>  <Name> (16)
Moxifloxacin hydrochloride.cdx

$$$$
VX-222.cdx
csChFnd80/05221716012D

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M  END
>  <Mol_ID> (17)
310

>  <Formula> (17)
C25H35NO4S

>  <MolWeight> (17)
445.6147

>  <Item Name> (17)
VX-222 (VCH-222, Lomibuvir)

>  <Catalog Number> (17)
S1480

>  <Synonyms> (17)
VCH222

>  <Target> (17)
HCV Protease

>  <Form> (17)
Free Base

>  <URL> (17)
http://www.selleckchem.com/products/VX-222.html

>  <CAS Number> (17)
1026785-55-6

>  <ALogP> (17)
6.021

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2

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1

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6

>  <Name> (17)
VX-222.cdx

$$$$
BMS-790052.cdx
csChFnd80/05221716012D

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M  END
>  <Mol_ID> (18)
312

>  <Formula> (18)
C40H50N8O6

>  <MolWeight> (18)
738.875

>  <Item Name> (18)
Daclatasvir (BMS-790052)

>  <Catalog Number> (18)
S1482

>  <Synonyms> (18)
N/A

>  <Target> (18)
HCV Protease

>  <Form> (18)
Free Base

>  <URL> (18)
http://www.selleckchem.com/products/BMS-790052.html

>  <CAS Number> (18)
1009119-64-5

>  <ALogP> (18)
5.048

>  <HBA_Count> (18)
8

>  <HBD_Count> (18)
4

>  <Num_RotatableBonds> (18)
13

>  <Name> (18)
BMS-790052.cdx

$$$$
AZACTAM (aztreonam).cdx
csChFnd80/05221716012D

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M  END
>  <Mol_ID> (19)
326

>  <Formula> (19)
C13H17N5O8S2

>  <MolWeight> (19)
435.43278

>  <Item Name> (19)
Aztreonam (Azactam, Cayston)

>  <Catalog Number> (19)
S1505

>  <Synonyms> (19)
Monobactam, SQ 26776, Squibb 26776

>  <Target> (19)
Antifection

>  <Form> (19)
Free Base

>  <URL> (19)
http://www.selleckchem.com/products/Aztreonam(Azactam).html

>  <CAS Number> (19)
78110-38-0

>  <ALogP> (19)
-1.035

>  <HBA_Count> (19)
6

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2

>  <Num_RotatableBonds> (19)
7

>  <Name> (19)
AZACTAM (aztreonam).cdx

$$$$
Ampicillin sodium.cdx
csChFnd80/05221716012D

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M  END
>  <Mol_ID> (20)
355

>  <Formula> (20)
C16H18N3NaO4S

>  <MolWeight> (20)
371.38659

>  <Item Name> (20)
Ampicillin sodium

>  <Catalog Number> (20)
S3170

>  <Synonyms> (20)
N/A

>  <Target> (20)
Antifection

>  <Form> (20)
Sodium

>  <URL> (20)
http://www.selleckchem.com/products/ampicillin-sodium.html

>  <CAS Number> (20)
69-52-3

>  <ALogP> (20)
-1.292

>  <HBA_Count> (20)
2

>  <HBD_Count> (20)
2

>  <Num_RotatableBonds> (20)
4

>  <Name> (20)
Ampicillin sodium.cdx

$$$$
CEFDINIR (cefdinir).cdx
csChFnd80/05221716012D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (21)
376

>  <Formula> (21)
C14H13N5O5S2

>  <MolWeight> (21)
395.41352

>  <Item Name> (21)
Cefdinir (Omnicef)

>  <Catalog Number> (21)
S1605

>  <Synonyms> (21)
FK-482, BMY-28488, PD 134393, CI-983

>  <Target> (21)
Antifection

>  <Form> (21)
Free Base

>  <URL> (21)
http://www.selleckchem.com/products/Cefdinir(Omnicef).html

>  <CAS Number> (21)
91832-40-5

>  <ALogP> (21)
-0.172

>  <HBA_Count> (21)
5

>  <HBD_Count> (21)
2

>  <Num_RotatableBonds> (21)
5

>  <Name> (21)
CEFDINIR (cefdinir).cdx

$$$$
SULLA (sulfameter).cdx
csChFnd80/05221716012D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.9100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4496    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2496    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5496    3.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6447    1.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3423    3.1182    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
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (22)
386

>  <Formula> (22)
C11H12N4O3S

>  <MolWeight> (22)
280.30298

>  <Item Name> (22)
Sulfameter (Bayrena)

>  <Catalog Number> (22)
S1618

>  <Synonyms> (22)
Sulfamethoxydiazine, Sulfametin, Sulfametorine, Sulfamethoxine, AHR-857, Berlicid

>  <Target> (22)
DHFR

>  <Form> (22)
Free Base

>  <URL> (22)
http://www.selleckchem.com/products/Sulfameter(Bayrena).html

>  <CAS Number> (22)
651-06-9

>  <ALogP> (22)
0.297

>  <HBA_Count> (22)
5

>  <HBD_Count> (22)
2

>  <Num_RotatableBonds> (22)
4

>  <Name> (22)
SULLA (sulfameter).cdx

$$$$
TYZEKA (telbivudine).cdx
csChFnd80/05221716012D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.3376    4.3937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9015    1.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2996    1.0842    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.9644    2.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1776    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0486    2.0585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (23)
409

>  <Formula> (23)
C10H14N2O5

>  <MolWeight> (23)
242.22856

>  <Item Name> (23)
Telbivudine (Sebivo, Tyzeka)

>  <Catalog Number> (23)
S1651

>  <Synonyms> (23)
N/A

>  <Target> (23)
Reverse Transcriptase

>  <Form> (23)
Free Base

>  <URL> (23)
http://www.selleckchem.com/products/Telbivudine(Sebivo).html

>  <CAS Number> (23)
3424-98-4

>  <ALogP> (23)
-1.238

>  <HBA_Count> (23)
3

>  <HBD_Count> (23)
3

>  <Num_RotatableBonds> (23)
2

>  <Name> (23)
TYZEKA (telbivudine).cdx

$$$$
AMPHICOL (chloramphenicol).cdx
csChFnd80/05221716012D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (24)
423

>  <Formula> (24)
C11H12Cl2N2O5

>  <MolWeight> (24)
323.12938

>  <Item Name> (24)
Chloramphenicol (Chloromycetin)

>  <Catalog Number> (24)
S1677

>  <Synonyms> (24)
Alficetyn, Chlornitromycin, Chloromycetin

>  <Target> (24)
Antifection

>  <Form> (24)
Free Base

>  <URL> (24)
http://www.selleckchem.com/products/Chloramphenicol(Chloromycetin).html

>  <CAS Number> (24)
56-75-7

>  <ALogP> (24)
1.025

>  <HBA_Count> (24)
1

>  <HBD_Count> (24)
3

>  <Num_RotatableBonds> (24)
6

>  <Name> (24)
AMPHICOL (chloramphenicol).cdx

$$$$
BETAMETHASONE DIPROPIONATE (betamethasone dipropionate).cdx
csChFnd80/05221716012D

 38 41  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (25)
427

>  <Formula> (25)
C28H37FO7

>  <MolWeight> (25)
504.5875832

>  <Item Name> (25)
Betamethasone Dipropionate (Diprolene)

>  <Catalog Number> (25)
S1688

>  <Synonyms> (25)
Diprospan, Diprolene, Diprosone, Diprolene AF

>  <Target> (25)
Glucocorticoid Receptor

>  <Form> (25)
Free Base

>  <URL> (25)
http://www.selleckchem.com/products/Betamethasone-Dipropionate(Diprolene).html

>  <CAS Number> (25)
5593-20-4

>  <ALogP> (25)
3.8

>  <HBA_Count> (25)
6

>  <HBD_Count> (25)
1

>  <Num_RotatableBonds> (25)
8

>  <Name> (25)
BETAMETHASONE DIPROPIONATE (betamethasone dipropionate).cdx

$$$$
BETATREX (betamethasone valerate).cdx
csChFnd80/05221716012D

 36 39  0  0  0  0  0  0  0  0999 V2000
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   14.5942    7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9942    7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
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 16 23  1  1  0  0  0
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 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (26)
429

>  <Formula> (26)
C27H37FO6

>  <MolWeight> (26)
476.5774832

>  <Item Name> (26)
Betamethasone valerate (Betnovate)

>  <Catalog Number> (26)
S1690

>  <Synonyms> (26)
Betnovate, Celestone, Betaderm, Luxiq

>  <Target> (26)
Glucocorticoid Receptor

>  <Form> (26)
Free Base

>  <URL> (26)
http://www.selleckchem.com/products/Betamethasone-valerate(Betnovate).html

>  <CAS Number> (26)
2152-44-5

>  <ALogP> (26)
3.666

>  <HBA_Count> (26)
4

>  <HBD_Count> (26)
2

>  <Num_RotatableBonds> (26)
7

>  <Name> (26)
BETATREX (betamethasone valerate).cdx

$$$$
DIDANOSINE (didanosine).cdx
csChFnd80/05221716012D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4032    4.1388    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.7347    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576    3.4388    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7347    4.5714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    4.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9527    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7756    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1071    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1071    4.1388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1475    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4744    2.2332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  1  0  0  0
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  4  8  1  1  0  0  0
M  END
>  <Mol_ID> (27)
436

>  <Formula> (27)
C10H12N4O3

>  <MolWeight> (27)
236.22728

>  <Item Name> (27)
Didanosine (Videx)

>  <Catalog Number> (27)
S1702

>  <Synonyms> (27)
Videx EC

>  <Target> (27)
NULL

>  <Form> (27)
Free Base

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

>  <CAS Number> (27)
69655-05-6

>  <ALogP> (27)
-0.844

>  <HBA_Count> (27)
4

>  <HBD_Count> (27)
2

>  <Num_RotatableBonds> (27)
2

>  <Name> (27)
DIDANOSINE (didanosine).cdx

$$$$
EPIVIR (lamivudine).cdx
csChFnd80/05221716012D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    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
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M  END
>  <Mol_ID> (28)
439

>  <Formula> (28)
C8H11N3O3S

>  <MolWeight> (28)
229.25624

>  <Item Name> (28)
Lamivudine (Epivir)

>  <Catalog Number> (28)
S1706

>  <Synonyms> (28)
3TC, Zeffix, Heptovir, Epivir, Epivir-HBV

>  <Target> (28)
Reverse Transcriptase

>  <Form> (28)
Free Base

>  <URL> (28)
http://www.selleckchem.com/products/Lamivudine(Epivir).html

>  <CAS Number> (28)
134678-17-4

>  <ALogP> (28)
-0.59

>  <HBA_Count> (28)
3

>  <HBD_Count> (28)
2

>  <Num_RotatableBonds> (28)
2

>  <Name> (28)
EPIVIR (lamivudine).cdx

$$$$
HEPSERA (adefovir dipivoxil).cdx
csChFnd80/05221716012D

 34 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    9.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    7.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    6.9702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    7.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    9.0702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    9.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    9.5028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8229    5.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0353    5.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2436    5.8351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
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 22 25  1  0  0  0  0
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 18 27  1  0  0  0  0
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M  END
>  <Mol_ID> (29)
447

>  <Formula> (29)
C20H32N5O8P

>  <MolWeight> (29)
501.470541

>  <Item Name> (29)
Adefovir Dipivoxil (Preveon, Hepsera)

>  <Catalog Number> (29)
S1718

>  <Synonyms> (29)
Bis-POM PMEA, Preveon, Hepsera

>  <Target> (29)
Reverse Transcriptase

>  <Form> (29)
Free Base

>  <URL> (29)
http://www.selleckchem.com/products/Adefovir-Dipivoxil(Preveon).html

>  <CAS Number> (29)
142340-99-6

>  <ALogP> (29)
1.666

>  <HBA_Count> (29)
10

>  <HBD_Count> (29)
1

>  <Num_RotatableBonds> (29)
15

>  <Name> (29)
HEPSERA (adefovir dipivoxil).cdx

$$$$
HIVID (zalcitabine).cdx
csChFnd80/05221716012D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4032    3.1207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4032    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9552    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
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 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (30)
448

>  <Formula> (30)
C9H13N3O3

>  <MolWeight> (30)
211.21782

>  <Item Name> (30)
Zalcitabine

>  <Catalog Number> (30)
S1719

>  <Synonyms> (30)
Hivid, Dideoxycytidine

>  <Target> (30)
Reverse Transcriptase

>  <Form> (30)
Free Base

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

>  <CAS Number> (30)
7481-89-2

>  <ALogP> (30)
-0.991

>  <HBA_Count> (30)
3

>  <HBD_Count> (30)
2

>  <Num_RotatableBonds> (30)
2

>  <Name> (30)
HIVID (zalcitabine).cdx

$$$$
NEVIRAPINE (nevirapine).cdx
csChFnd80/05221716012D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (31)
461

>  <Formula> (31)
C15H14N4O

>  <MolWeight> (31)
266.29786

>  <Item Name> (31)
Nevirapine (Viramune)

>  <Catalog Number> (31)
S1742

>  <Synonyms> (31)
Viramune, BI-RG 587

>  <Target> (31)
Reverse Transcriptase

>  <Form> (31)
Free Base

>  <URL> (31)
http://www.selleckchem.com/products/Nevirapine(Viramune).html

>  <CAS Number> (31)
129618-40-2

>  <ALogP> (31)
2.293

>  <HBA_Count> (31)
3

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NEVIRAPINE (nevirapine).cdx

$$$$
PYRAZINAMIDE (pyrazinamide).cdx
csChFnd80/05221716012D

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M  END
>  <Mol_ID> (32)
465

>  <Formula> (32)
C5H5N3O

>  <MolWeight> (32)
123.1127

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Pyrazinamide (Pyrazinoic acid amide)

>  <Catalog Number> (32)
S1762

>  <Synonyms> (32)
Pezetamid, Pyrafat, Zinamide, Tebrazid, Pyrafat

>  <Target> (32)
Antifection

>  <Form> (32)
Free Base

>  <URL> (32)
http://www.selleckchem.com/products/Pyrazinamide(Pyrazinoic-acid-amide).html

>  <CAS Number> (32)
98-96-4

>  <ALogP> (32)
-1.041

>  <HBA_Count> (32)
3

>  <HBD_Count> (32)
1

>  <Num_RotatableBonds> (32)
1

>  <Name> (32)
PYRAZINAMIDE (pyrazinamide).cdx

$$$$
SPECTRACEF (cefditoren pivoxil).cdx
csChFnd80/05221716012D

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M  END
>  <Mol_ID> (33)
467

>  <Formula> (33)
C25H28N6O7S3

>  <MolWeight> (33)
620.72082

>  <Item Name> (33)
Cefditoren pivoxil

>  <Catalog Number> (33)
S1768

>  <Synonyms> (33)
Spectracef , Meiact

>  <Target> (33)
5-alpha Reductase

>  <Form> (33)
Free Base

>  <URL> (33)
http://www.selleckchem.com/products/Cefditoren-pivoxil.html

>  <CAS Number> (33)
117467-28-4

>  <ALogP> (33)
1.926

>  <HBA_Count> (33)
10

>  <HBD_Count> (33)
2

>  <Num_RotatableBonds> (33)
12

>  <Name> (33)
SPECTRACEF (cefditoren pivoxil).cdx

$$$$
SULFADIAZINE (sulfadiazine).cdx
csChFnd80/05221716012D

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M  END
>  <Mol_ID> (34)
469

>  <Formula> (34)
C10H10N4O2S

>  <MolWeight> (34)
250.277

>  <Item Name> (34)
Sulfadiazine

>  <Catalog Number> (34)
S1770

>  <Synonyms> (34)
Adiazin, Adiazine, Debenal, Liquadiazine

>  <Target> (34)
Antifection

>  <Form> (34)
Free Base

>  <URL> (34)
http://www.selleckchem.com/products/Sulfadiazine.html

>  <CAS Number> (34)
68-35-9

>  <ALogP> (34)
0.313

>  <HBA_Count> (34)
4

>  <HBD_Count> (34)
2

>  <Num_RotatableBonds> (34)
3

>  <Name> (34)
SULFADIAZINE (sulfadiazine).cdx

$$$$
TERRAMYCIN (oxytetracycline).cdx
csChFnd80/05221716012D

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>  <Mol_ID> (35)
471

>  <Formula> (35)
C22H24N2O9

>  <MolWeight> (35)
460.43396

>  <Item Name> (35)
Oxytetracycline (Terramycin)

>  <Catalog Number> (35)
S1773

>  <Synonyms> (35)
Terramycin, Liquamycin

>  <Target> (35)
NULL

>  <Form> (35)
Free Base

>  <URL> (35)
http://www.selleckchem.com/products/Oxytetracycline(Terramycin).html

>  <CAS Number> (35)
79-57-2

>  <ALogP> (35)
-1.904

>  <HBA_Count> (35)
3

>  <HBD_Count> (35)
5

>  <Num_RotatableBonds> (35)
2

>  <Name> (35)
TERRAMYCIN (oxytetracycline).cdx

$$$$
TRECATOR (ethionamide).cdx
csChFnd80/05221716012D

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M  END
>  <Mol_ID> (36)
472

>  <Formula> (36)
C8H10N2S

>  <MolWeight> (36)
166.2434

>  <Item Name> (36)
Ethionamide

>  <Catalog Number> (36)
S1777

>  <Synonyms> (36)
2-ethylthioisonicotinamide, Trecator SC, Amidazine

>  <Target> (36)
Antifection

>  <Form> (36)
Free Base

>  <URL> (36)
http://www.selleckchem.com/products/Ethionamide.html

>  <CAS Number> (36)
536-33-4

>  <ALogP> (36)
1.498

>  <HBA_Count> (36)
1

>  <HBD_Count> (36)
1

>  <Num_RotatableBonds> (36)
2

>  <Name> (36)
TRECATOR (ethionamide).cdx

$$$$
TRIFLURIDINE (trifluridine).cdx
csChFnd80/05221716012D

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 13  3  1  6  0  0  0
M  END
>  <Mol_ID> (37)
473

>  <Formula> (37)
C10H11F3N2O5

>  <MolWeight> (37)
296.1999496

>  <Item Name> (37)
Trifluridine (Viroptic)

>  <Catalog Number> (37)
S1778

>  <Synonyms> (37)
Viroptic, Trifluorothymidine

>  <Target> (37)
NULL

>  <Form> (37)
Free Base

>  <URL> (37)
http://www.selleckchem.com/products/Trifluridine(Viroptic).html

>  <CAS Number> (37)
70-00-8

>  <ALogP> (37)
-0.782

>  <HBA_Count> (37)
3

>  <HBD_Count> (37)
3

>  <Num_RotatableBonds> (37)
3

>  <Name> (37)
TRIFLURIDINE (trifluridine).cdx

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/05221716012D

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 11  9  1  6  0  0  0
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M  END
>  <Mol_ID> (38)
475

>  <Formula> (38)
C10H13N5O4

>  <MolWeight> (38)
267.24132

>  <Item Name> (38)
Vidarabine (Vira-A)

>  <Catalog Number> (38)
S1784

>  <Synonyms> (38)
Vira-A

>  <Target> (38)
5-alpha Reductase

>  <Form> (38)
Free Base

>  <URL> (38)
http://www.selleckchem.com/products/Vidarabine(Vira-A).html

>  <CAS Number> (38)
5536-17-4

>  <ALogP> (38)
-1.881

>  <HBA_Count> (38)
4

>  <HBD_Count> (38)
4

>  <Num_RotatableBonds> (38)
2

>  <Name> (38)
VIRA-A (vidarabine).cdx

$$$$
XIFAXAN (rifaximin).cdx
csChFnd80/05221716012D

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M  END
>  <Mol_ID> (39)
477

>  <Formula> (39)
C43H51N3O11

>  <MolWeight> (39)
785.87854

>  <Item Name> (39)
Rifaximin (Xifaxan)

>  <Catalog Number> (39)
S1790

>  <Synonyms> (39)
Rifacol, Fatroximin

>  <Target> (39)
DNA/RNA Synthesis

>  <Form> (39)
Free Base

>  <URL> (39)
http://www.selleckchem.com/products/Rifaximin(Xifaxan).html

>  <CAS Number> (39)
80621-81-4

>  <ALogP> (39)
4.805

>  <HBA_Count> (39)
8

>  <HBD_Count> (39)
5

>  <Num_RotatableBonds> (39)
3

>  <Name> (39)
XIFAXAN (rifaximin).cdx

$$$$
Acyclovir.cdx
csChFnd80/05221716012D

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>  <Mol_ID> (40)
484

>  <Formula> (40)
C8H11N5O3

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225.20464

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Acyclovir (Aciclovir)

>  <Catalog Number> (40)
S1807

>  <Synonyms> (40)
Aciclovir, Acycloguanosine, Zovirax

>  <Target> (40)
Antifection

>  <Form> (40)
Free Base

>  <URL> (40)
http://www.selleckchem.com/products/Acyclovir(Aciclovir).html

>  <CAS Number> (40)
59277-89-3

>  <ALogP> (40)
-1.423

>  <HBA_Count> (40)
4

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3

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4

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Acyclovir.cdx

$$$$
CAPITROL (chloroxine).cdx
csChFnd80/05221716012D

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M  END
>  <Mol_ID> (41)
491

>  <Formula> (41)
C9H5Cl2NO

>  <MolWeight> (41)
214.0481

>  <Item Name> (41)
Chloroxine

>  <Catalog Number> (41)
S1839

>  <Synonyms> (41)
Capitrol

>  <Target> (41)
Antifection

>  <Form> (41)
Free Base

>  <URL> (41)
http://www.selleckchem.com/products/Chloroxine.html

>  <CAS Number> (41)
773-76-2

>  <ALogP> (41)
3.103

>  <HBA_Count> (41)
1

>  <HBD_Count> (41)
1

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0

>  <Name> (41)
CAPITROL (chloroxine).cdx

$$$$
CHENIX (chenodiol).cdx
csChFnd80/05221716012D

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>  <Mol_ID> (42)
493

>  <Formula> (42)
C24H40O4

>  <MolWeight> (42)
392.572

>  <Item Name> (42)
Chenodeoxycholic acid

>  <Catalog Number> (42)
S1843

>  <Synonyms> (42)
Chenodiol, Chenodesoxycholic acid, Chenocholic acid

>  <Target> (42)
NULL

>  <Form> (42)
Free Base

>  <URL> (42)
http://www.selleckchem.com/products/Chenodeoxycholic-acid.html

>  <CAS Number> (42)
474-25-9

>  <ALogP> (42)
4.014

>  <HBA_Count> (42)
1

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2

>  <Num_RotatableBonds> (42)
4

>  <Name> (42)
CHENIX (chenodiol).cdx

$$$$
LANIAZID (isoniazid).cdx
csChFnd80/05221716012D

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M  END
>  <Mol_ID> (43)
498

>  <Formula> (43)
C6H7N3O

>  <MolWeight> (43)
137.13928

>  <Item Name> (43)
Isoniazid (Tubizid)

>  <Catalog Number> (43)
S1937

>  <Synonyms> (43)
Tubizid, Laniazid, Nydrazid, Isonicotinylhydrazine

>  <Target> (43)
Angiogenesis

>  <Form> (43)
Free Base

>  <URL> (43)
http://www.selleckchem.com/products/Isoniazid(Tubizid).html

>  <CAS Number> (43)
54-85-3

>  <ALogP> (43)
-0.811

>  <HBA_Count> (43)
2

>  <HBD_Count> (43)
2

>  <Num_RotatableBonds> (43)
1

>  <Name> (43)
LANIAZID (isoniazid).cdx

$$$$
LEVOFLOXACIN (levofloxacin).cdx
csChFnd80/05221716012D

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>  <Mol_ID> (44)
499

>  <Formula> (44)
C18H20FN3O4

>  <MolWeight> (44)
361.3675032

>  <Item Name> (44)
Levofloxacin (Levaquin)

>  <Catalog Number> (44)
S1940

>  <Synonyms> (44)
Levaquin, Tavanic

>  <Target> (44)
Topoisomerase

>  <Form> (44)
Free Base

>  <URL> (44)
http://www.selleckchem.com/products/Levofloxacin(Levaquin).html

>  <CAS Number> (44)
100986-85-4

>  <ALogP> (44)
-1.374

>  <HBA_Count> (44)
3

>  <HBD_Count> (44)
0

>  <Num_RotatableBonds> (44)
2

>  <Name> (44)
LEVOFLOXACIN (levofloxacin).cdx

$$$$
untitled.cdx
csChFnd80/05221716012D

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N/A

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Integrase

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Free Base

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

>  <CAS Number> (45)
697761-98-1

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untitled.cdx

$$$$
untitled.cdx
csChFnd80/05221716012D

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511

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C29H41F2N5O

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>  <Item Name> (46)
Maraviroc

>  <Catalog Number> (46)
S2003

>  <Synonyms> (46)
UK-427857, Celsentri

>  <Target> (46)
CCR5

>  <Form> (46)
Free Base

>  <URL> (46)
http://www.selleckchem.com/products/Maraviroc.html

>  <CAS Number> (46)
376348-65-1

>  <ALogP> (46)
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1

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untitled.cdx

$$$$
Raltegravir.cdx
csChFnd80/05221716012D

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>  <Mol_ID> (47)
512

>  <Formula> (47)
C20H21FN6O5

>  <MolWeight> (47)
444.4163432

>  <Item Name> (47)
Raltegravir (MK-0518)

>  <Catalog Number> (47)
S2005

>  <Synonyms> (47)
Isentress

>  <Target> (47)
Integrase

>  <Form> (47)
Free Base

>  <URL> (47)
http://www.selleckchem.com/products/Raltegravir-(MK-0518).html

>  <CAS Number> (47)
518048-05-0

>  <ALogP> (47)
-0.291

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7

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Raltegravir.cdx

$$$$
pyrimethamine.cdx
csChFnd80/05221716012D

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>  <Formula> (48)
C12H13ClN4

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>  <Item Name> (48)
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>  <Catalog Number> (48)
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>  <Synonyms> (48)
Daraprim

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NULL

>  <Form> (48)
Free Base

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58-14-0

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2.75

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2

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>  <Name> (48)
pyrimethamine.cdx

$$$$
AVC (sulfanilamide).cdx
csChFnd80/05221716012D

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>  <Mol_ID> (49)
587

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Antifection

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Free Base

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63-74-1

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AVC (sulfanilamide).cdx

$$$$
Azithromycin.cdx
csChFnd80/05221716012D

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    0.0000    4.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8495    2.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388    6.3993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4185    6.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6309    7.4586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8433    6.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0558    7.4586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0558    8.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    9.5586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6309    8.8586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8433   10.9537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2640    6.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4227    9.5562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6351   11.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0516   11.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2157    3.4523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2157    2.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4281    1.3523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6406    2.0523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6406    3.4523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4281    4.1523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8488    4.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4382    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4181    0.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8488    1.3547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7704    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9414    2.6368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6309    6.0586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    4.6647    0.0000 H   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
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  4 12  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  1  1  0  0  0
  6 19  1  1  0  0  0
  8 20  1  1  0  0  0
  3 21  1  1  0  0  0
  2 22  1  1  0  0  0
 15 23  1  6  0  0  0
  4 24  1  6  0  0  0
  1 25  1  6  0  0  0
  2 26  1  6  0  0  0
 21 27  1  0  0  0  0
  8 28  1  6  0  0  0
  7 29  1  6  0  0  0
 29 30  1  0  0  0  0
 30 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 35  1  0  0  0  0
 35 30  1  0  0  0  0
 34 36  1  1  0  0  0
 32 37  1  1  0  0  0
 35 38  1  6  0  0  0
 36 39  1  0  0  0  0
 36 40  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 41  1  0  0  0  0
 45 47  1  1  0  0  0
 43 48  1  1  0  0  0
 43 49  1  6  0  0  0
 44 50  1  6  0  0  0
 49 51  1  0  0  0  0
  5 52  1  1  0  0  0
 52 41  1  0  0  0  0
 30 53  1  1  0  0  0
 41 54  1  1  0  0  0
M  END
>  <Mol_ID> (50)
621

>  <Formula> (50)
C38H72N2O12

>  <MolWeight> (50)
748.98448

>  <Item Name> (50)
Azithromycin

>  <Catalog Number> (50)
s1835

>  <Synonyms> (50)
CP-62993, XZ-450

>  <Target> (50)
autophagy

>  <Form> (50)
Free Base

>  <URL> (50)
http://www.selleckchem.com/products/azithromycin-zithromax.h

>  <CAS Number> (50)
83905-01-5

>  <ALogP> (50)
2.078

>  <HBA_Count> (50)
7

>  <HBD_Count> (50)
3

>  <Num_RotatableBonds> (50)
7

>  <Name> (50)
Azithromycin.cdx

$$$$
Clindamycin HCl.cdx
csChFnd80/05221716012D

 28 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.3521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    3.9521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.2521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.9521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    5.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.0521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6331    1.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.8521    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8455    3.2521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    1.1521    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    3.9497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7576    3.3802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6944    4.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9944    5.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6250    5.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4472    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5618    6.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0477    2.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9493    7.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5168    8.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6034    0.0000    0.0000 Cl  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
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  6  0  0  0
 15 13  1  6  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 15  1  0  0  0  0
  2 20  1  6  0  0  0
  1 21  1  1  0  0  0
  6 22  1  1  0  0  0
 18 23  1  1  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (51)
691

>  <Formula> (51)
C18H34Cl2N2O5S

>  <MolWeight> (51)
461.44396

>  <Item Name> (51)
Clindamycin hydrochloride (Dalacin)

>  <Catalog Number> (51)
S2457

>  <Synonyms> (51)
Dalacin, Duac, BenzaClin,Clindoxyl, Acanya

>  <Target> (51)
Antifection

>  <Form> (51)
Hydrochloride

>  <URL> (51)
http://www.selleckchem.com/products/Clindamycin-hydrochloride(Dalacin).html

>  <CAS Number> (51)
21462-39-5

>  <ALogP> (51)
1.659

>  <HBA_Count> (51)
2

>  <HBD_Count> (51)
4

>  <Num_RotatableBonds> (51)
7

>  <Name> (51)
Clindamycin HCl.cdx

$$$$
Famciclovir.cdx
csChFnd80/05221716012D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.5253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    7.6927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    8.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    9.9580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7521    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7521    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5439    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5439    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3357    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3357    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1275    2.0951    0.0000 O   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  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
  7 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
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (52)
697

>  <Formula> (52)
C14H19N5O4

>  <MolWeight> (52)
321.33176

>  <Item Name> (52)
Famciclovir (Famvir)

>  <Catalog Number> (52)
S2467

>  <Synonyms> (52)
Famvir

>  <Target> (52)
Antifection

>  <Form> (52)
Free Base

>  <URL> (52)
http://www.selleckchem.com/products/Famciclovir(Famvir).html

>  <CAS Number> (52)
104227-87-4

>  <ALogP> (52)
-0.294

>  <HBA_Count> (52)
7

>  <HBD_Count> (52)
1

>  <Num_RotatableBonds> (52)
9

>  <Name> (52)
Famciclovir.cdx

$$$$
Lincomycin  HCl.cdx
csChFnd80/05221716012D

 29 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.8417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    3.4417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    2.7417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    3.4417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    6.9417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    7.6417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7368    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1203    9.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571   10.2078    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3571   11.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877   11.1291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9509   12.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446   10.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646   11.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6521   11.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.7441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7441    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7118    0.0000    0.0000 Cl  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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  1  6  0  0  0
  7 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  1  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 14  1  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  1  1  0  0  0
  3 24  1  6  0  0  0
  4 25  1  6  0  0  0
 25 26  1  0  0  0  0
  8 27  1  1  0  0  0
  6 28  1  6  0  0  0
M  END
>  <Mol_ID> (53)
702

>  <Formula> (53)
C18H35ClN2O6S

>  <MolWeight> (53)
442.9983

>  <Item Name> (53)
Lincomycin hydrochloride (Lincocin)

>  <Catalog Number> (53)
S2479

>  <Synonyms> (53)
Lincocin

>  <Target> (53)
Antifection

>  <Form> (53)
Hydrochloride

>  <URL> (53)
http://www.selleckchem.com/products/Lincomycin-hydrochloride(Lincocin).html

>  <CAS Number> (53)
859-18-7

>  <ALogP> (53)
0.454

>  <HBA_Count> (53)
2

>  <HBD_Count> (53)
5

>  <Num_RotatableBonds> (53)
7

>  <Name> (53)
Lincomycin  HCl.cdx

$$$$
Moroxydine HCl.cdx
csChFnd80/05221716012D

 13 12  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 O   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 N   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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  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (54)
714

>  <Formula> (54)
C6H14ClN5O

>  <MolWeight> (54)
207.66126

>  <Item Name> (54)
Moroxydine HCl

>  <Catalog Number> (54)
S2486

>  <Synonyms> (54)
N/A

>  <Target> (54)
Antifection

>  <Form> (54)
Hydrochloride

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

>  <CAS Number> (54)
3160-91-6

>  <ALogP> (54)
-0.672

>  <HBA_Count> (54)
1

>  <HBD_Count> (54)
2

>  <Num_RotatableBonds> (54)
3

>  <Name> (54)
Moroxydine HCl.cdx

$$$$
Novobiocin sodium.cdx
csChFnd80/05221716012D

 45 47  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  1  0  0  0
  7  8  1  0  0  0  0
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 10 11  2  0  0  0  0
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 13  9  1  0  0  0  0
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 17 12  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 17  1  0  0  0  0
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 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 23  1  0  0  0  0
  1 28  1  1  0  0  0
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 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
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  6 35  1  0  0  0  0
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 10 37  1  0  0  0  0
 15 38  2  0  0  0  0
 26 39  1  0  0  0  0
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 42 43  1  0  0  0  0
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M  END
>  <Mol_ID> (55)
719

>  <Formula> (55)
C31H35N2NaO11

>  <MolWeight> (55)
634.60617

>  <Item Name> (55)
Novobiocin sodium (Albamycin)

>  <Catalog Number> (55)
S2492

>  <Synonyms> (55)
Albamycin, Cathomycin

>  <Target> (55)
Topoisomerase

>  <Form> (55)
Sodium Salt

>  <URL> (55)
www.selleckchem.com/products/Novobiocin-sodium(Albamycin).html

>  <CAS Number> (55)
1476-53-5

>  <ALogP> (55)
2.747

>  <HBA_Count> (55)
8

>  <HBD_Count> (55)
4

>  <Num_RotatableBonds> (55)
9

>  <Name> (55)
Novobiocin sodium.cdx

$$$$
Ribavirin.cdx
csChFnd80/05221716012D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.6550    3.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8917    1.3647    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
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 13  7  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  6 17  1  0  0  0  0
M  END
>  <Mol_ID> (56)
728

>  <Formula> (56)
C8H12N4O5

>  <MolWeight> (56)
244.20468

>  <Item Name> (56)
Ribavirin (Copegus)

>  <Catalog Number> (56)
S2504

>  <Synonyms> (56)
Rebetol, Ribasphere, Vilona, Virazole

>  <Target> (56)
Antifection

>  <Form> (56)
Free Base

>  <URL> (56)
http://www.selleckchem.com/products/Ribavirin(Copegus).html

>  <CAS Number> (56)
36791-04-5

>  <ALogP> (56)
-2.745

>  <HBA_Count> (56)
4

>  <HBD_Count> (56)
4

>  <Num_RotatableBonds> (56)
3

>  <Name> (56)
Ribavirin.cdx

$$$$
Spectinomycin  HCl.cdx
csChFnd80/05221716012D

 28 28  0  0  0  0  0  0  0  0999 V2000
    2.4165    6.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (57)
732

>  <Formula> (57)
C14H26Cl2N2O7

>  <MolWeight> (57)
405.27144

>  <Item Name> (57)
Spectinomycin 2HCl

>  <Catalog Number> (57)
S2510

>  <Synonyms> (57)
N/A

>  <Target> (57)
Antifection

>  <Form> (57)
dihydrochloride

>  <URL> (57)
www.selleckchem.com/products/Spectinomycin--hydrochloride.html

>  <CAS Number> (57)
21736-83-4

>  <ALogP> (57)
-1.566

>  <HBA_Count> (57)
4

>  <HBD_Count> (57)
4

>  <Num_RotatableBonds> (57)
2

>  <Name> (57)
Spectinomycin  HCl.cdx

$$$$
Methacycline hydrochloride.cdx
csChFnd80/05221716012D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (58)
741

>  <Formula> (58)
C22H23ClN2O8

>  <MolWeight> (58)
478.87962

>  <Item Name> (58)
Methacycline hydrochloride (Physiomycine)

>  <Catalog Number> (58)
S2527

>  <Synonyms> (58)
Adriamicina, Ciclobiotic, Germiciclin, Londomycin, Metacyclin hydrochloride, Metadomus, Methacycline

>  <Target> (58)
Antifection

>  <Form> (58)
Hydrochloride

>  <URL> (58)
http://www.selleckchem.com/products/Methacycline-hydrochloride-Physiomycine.html

>  <CAS Number> (58)
3963-95-9

>  <ALogP> (58)
-0.565

>  <HBA_Count> (58)
3

>  <HBD_Count> (58)
5

>  <Num_RotatableBonds> (58)
2

>  <Name> (58)
Methacycline hydrochloride.cdx

$$$$
erythromycin.cdx
csChFnd80/05221716012D

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M  END
>  <Mol_ID> (59)
769

>  <Formula> (59)
C37H67NO13

>  <MolWeight> (59)
733.92678

>  <Item Name> (59)
Erythromycin

>  <Catalog Number> (59)
s1635

>  <Synonyms> (59)
E-Mycin

>  <Target> (59)
Antifection

>  <Form> (59)
Free Base

>  <URL> (59)
http://www.selleckchem.com/products/Erythromycin(E-Mycin).ht

>  <CAS Number> (59)
114-07-8

>  <ALogP> (59)
1.792

>  <HBA_Count> (59)
8

>  <HBD_Count> (59)
3

>  <Num_RotatableBonds> (59)
7

>  <Name> (59)
erythromycin.cdx

$$$$
Cloxacillin sodium.cdx
csChFnd80/05221716012D

 32 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (60)
780

>  <Formula> (60)
C19H19ClN3NaO6S

>  <MolWeight> (60)
475.87843

>  <Item Name> (60)
Cloxacillin sodium

>  <Catalog Number> (60)
S2564

>  <Synonyms> (60)
Cloxapen, Cloxacap, Orbenin

>  <Target> (60)
Antifection

>  <Form> (60)
Sodium Salt & hydrate

>  <URL> (60)
http://www.selleckchem.com/products/Cloxacillin-sodium-Cloxacap.html

>  <CAS Number> (60)
7081-44-9

>  <ALogP> (60)
0.619

>  <HBA_Count> (60)
4

>  <HBD_Count> (60)
1

>  <Num_RotatableBonds> (60)
4

>  <Name> (60)
Cloxacillin sodium.cdx

$$$$
GSK1349572.cdx
csChFnd80/05221716012D

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801

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C20H19F2N3O5

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>  <Item Name> (61)
Dolutegravir (GSK1349572)

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S2667

>  <Synonyms> (61)
Dolutegravir

>  <Target> (61)
Integrase

>  <Form> (61)
Free Base

>  <URL> (61)
http://www.selleckchem.com/products/s-gsk1349572.html

>  <CAS Number> (61)
1051375-16-6

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GSK1349572.cdx

$$$$
Amoxicillin sodium.cdx
csChFnd80/05221716012D

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>  <Mol_ID> (62)
836

>  <Formula> (62)
C16H18N3NaO5S

>  <MolWeight> (62)
387.38599

>  <Item Name> (62)
Amoxicillin sodium (Amox)

>  <Catalog Number> (62)
S2565

>  <Synonyms> (62)
Amoxycillin

>  <Target> (62)
Antifection

>  <Form> (62)
Sodium Salt

>  <URL> (62)
http://www.selleckchem.com/products/amoxicillin-(amox).html

>  <CAS Number> (62)
34642-77-8

>  <ALogP> (62)
-1.534

>  <HBA_Count> (62)
2

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>  <Num_RotatableBonds> (62)
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>  <Name> (62)
Amoxicillin sodium.cdx

$$$$
Ganciclovir.cdx
csChFnd80/05221716012D

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>  <Mol_ID> (63)
896

>  <Formula> (63)
C9H13N5O4

>  <MolWeight> (63)
255.23062

>  <Item Name> (63)
Ganciclovir

>  <Catalog Number> (63)
S1878

>  <Synonyms> (63)
Cytovene

>  <Target> (63)
Antifection

>  <Form> (63)
Free Base

>  <URL> (63)
http://www.selleckchem.com/products/ganciclovir.html

>  <CAS Number> (63)
82410-32-0

>  <ALogP> (63)
-1.934

>  <HBA_Count> (63)
4

>  <HBD_Count> (63)
4

>  <Num_RotatableBonds> (63)
5

>  <Name> (63)
Ganciclovir.cdx

$$$$
Sulphadimethoxine.cdx
csChFnd80/05221716012D

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>  <Mol_ID> (64)
898

>  <Formula> (64)
C12H14N4O4S

>  <MolWeight> (64)
310.32896

>  <Item Name> (64)
Sulphadimethoxine

>  <Catalog Number> (64)
S1962

>  <Synonyms> (64)
Di-Methox, Albon

>  <Target> (64)
Antifection

>  <Form> (64)
Free Base

>  <URL> (64)
http://www.selleckchem.com/products/sulphadimethoxine.html

>  <CAS Number> (64)
122-11-2

>  <ALogP> (64)
1.358

>  <HBA_Count> (64)
6

>  <HBD_Count> (64)
2

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5

>  <Name> (64)
Sulphadimethoxine.cdx

$$$$
Cefoperazone acid.cdx
csChFnd80/05221716012D

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>  <Mol_ID> (65)
901

>  <Formula> (65)
C25H27N9O8S2

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>  <Item Name> (65)
Cefoperazone (Cefobid)

>  <Catalog Number> (65)
S1611

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N/A

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Antifection

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Free Base

>  <URL> (65)
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62893-19-0

>  <ALogP> (65)
-0.792

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9

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>  <Name> (65)
Cefoperazone acid.cdx

$$$$
Tetracycline hydrochloride.cdx
csChFnd80/05221716012D

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Antifection

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Hydrochloride

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Tetracycline hydrochloride.cdx

$$$$
Zidovudine.cdx
csChFnd80/05221716012D

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C10H13N5O4

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Zidovudine (Retrovir)

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azidothymidine

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Reverse Transcriptase

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Free Base

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Zidovudine.cdx

$$$$
Cytidine.cdx
csChFnd80/05221716022D

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C9H13N3O5

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Cytidine

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Free Base

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Cytidine.cdx

$$$$
Oxytetracycline dihydrate.cdx
csChFnd80/05221716022D

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$$$$
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M  END
>  <Mol_ID> (70)
945

>  <Formula> (70)
C13H21ClN6O4

>  <MolWeight> (70)
360.79664

>  <Item Name> (70)
Valaciclovir HCl

>  <Catalog Number> (70)
S1876

>  <Synonyms> (70)
N/A

>  <Target> (70)
Antifection

>  <Form> (70)
Hydrochloride

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

>  <CAS Number> (70)
124832-27-5

>  <ALogP> (70)
-0.296

>  <HBA_Count> (70)
6

>  <HBD_Count> (70)
3

>  <Num_RotatableBonds> (70)
8

>  <Name> (70)
Valaciclovir hydrochloride.cdx

$$$$
PENETREX (enoxacin).cdx
csChFnd80/05221716022D

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M  END
>  <Mol_ID> (71)
950

>  <Formula> (71)
C15H17FN4O3

>  <MolWeight> (71)
320.3188832

>  <Item Name> (71)
Enoxacin (Penetrex)

>  <Catalog Number> (71)
S1756

>  <Synonyms> (71)
Almitil, Bactidan, Bactidron, Comprecin, Enoksetin, Enoxen, Enroxil, Enoxin, Enoxor, Flumark, Gyrami

>  <Target> (71)
Topoisomerase

>  <Form> (71)
Free Base

>  <URL> (71)
http://www.selleckchem.com/products/Enoxacin(Penetrex).html

>  <CAS Number> (71)
74011-58-8

>  <ALogP> (71)
-1.483

>  <HBA_Count> (71)
3

>  <HBD_Count> (71)
1

>  <Num_RotatableBonds> (71)
3

>  <Name> (71)
PENETREX (enoxacin).cdx

$$$$
PA-824.cdx
csChFnd80/05221716022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (72)
959

>  <Formula> (72)
C14H12F3N3O5

>  <MolWeight> (72)
359.2573896

>  <Item Name> (72)
PA-824

>  <Catalog Number> (72)
S1162

>  <Synonyms> (72)
N/A

>  <Target> (72)
Antifection

>  <Form> (72)
Free Base

>  <URL> (72)
http://www.selleckchem.com/products/pa-824.html

>  <CAS Number> (72)
187235-37-6

>  <ALogP> (72)
4.301

>  <HBA_Count> (72)
4

>  <HBD_Count> (72)
0

>  <Num_RotatableBonds> (72)
6

>  <Name> (72)
PA-824.cdx

$$$$
Pefloxacine mesylate.cdx
csChFnd80/05221716022D

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 16  7  1  0  0  0  0
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M  END
>  <Mol_ID> (73)
963

>  <Formula> (73)
C18H24FN3O6S

>  <MolWeight> (73)
429.4630632

>  <Item Name> (73)
Pefloxacin mesylate

>  <Catalog Number> (73)
S1855

>  <Synonyms> (73)
N/A

>  <Target> (73)
Antifection

>  <Form> (73)
Mesylate

>  <URL> (73)
http://www.selleckchem.com/products/pefloxacin-mesylate.html

>  <CAS Number> (73)
70458-95-6

>  <ALogP> (73)
-1.618

>  <HBA_Count> (73)
2

>  <HBD_Count> (73)
0

>  <Num_RotatableBonds> (73)
3

>  <Name> (73)
Pefloxacine mesylate.cdx

$$$$
Atazanavir Sulfate.cdx
csChFnd80/05221716022D

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M  END
>  <Mol_ID> (74)
1013

>  <Formula> (74)
C38H54N6O11S

>  <MolWeight> (74)
802.93396

>  <Item Name> (74)
Atazanavir sulfate

>  <Catalog Number> (74)
S1457

>  <Synonyms> (74)
BMS-232632-05, Reyataz

>  <Target> (74)
HIV Protease

>  <Form> (74)
Sulfate

>  <URL> (74)
http://www.selleckchem.com/products/Atazanavir.html

>  <CAS Number> (74)
229975-97-7

>  <ALogP> (74)
4.083

>  <HBA_Count> (74)
7

>  <HBD_Count> (74)
5

>  <Num_RotatableBonds> (74)
18

>  <Name> (74)
Atazanavir Sulfate.cdx

$$$$
Entecavir hydrate.cdx
csChFnd80/05221716022D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.7516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (75)
1036

>  <Formula> (75)
C12H17N5O4

>  <MolWeight> (75)
295.29448

>  <Item Name> (75)
Entecavir hydrate

>  <Catalog Number> (75)
S1252

>  <Synonyms> (75)
Baraclude

>  <Target> (75)
Reverse Transcriptase

>  <Form> (75)
Hydrate

>  <URL> (75)
http://www.selleckchem.com/products/Entecavir.html

>  <CAS Number> (75)
209216-23-9

>  <ALogP> (75)
-1.611

>  <HBA_Count> (75)
3

>  <HBD_Count> (75)
4

>  <Num_RotatableBonds> (75)
2

>  <Name> (75)
Entecavir hydrate.cdx

$$$$
Sulfamerazine.cdx
csChFnd80/05221716022D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (76)
1045

>  <Formula> (76)
C11H12N4O2S

>  <MolWeight> (76)
264.30358

>  <Item Name> (76)
Sulfamerazine

>  <Catalog Number> (76)
S3132

>  <Synonyms> (76)
N/A

>  <Target> (76)
Antifection

>  <Form> (76)
Free Base

>  <URL> (76)
http://www.selleckchem.com/products/sulfamerazine.html

>  <CAS Number> (76)
127-79-7

>  <ALogP> (76)
0.595

>  <HBA_Count> (76)
4

>  <HBD_Count> (76)
2

>  <Num_RotatableBonds> (76)
3

>  <Name> (76)
Sulfamerazine.cdx

$$$$
Sulfamethazine.cdx
csChFnd80/05221716022D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    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
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M  END
>  <Mol_ID> (77)
1046

>  <Formula> (77)
C12H14N4O2S

>  <MolWeight> (77)
278.33016

>  <Item Name> (77)
Sulfamethazine

>  <Catalog Number> (77)
S3133

>  <Synonyms> (77)
N/A

>  <Target> (77)
Antifection

>  <Form> (77)
Free Base

>  <URL> (77)
http://www.selleckchem.com/products/sulfamethazine.html

>  <CAS Number> (77)
57-68-1

>  <ALogP> (77)
0.878

>  <HBA_Count> (77)
4

>  <HBD_Count> (77)
2

>  <Num_RotatableBonds> (77)
3

>  <Name> (77)
Sulfamethazine.cdx

$$$$
Trimethoprim.cdx
csChFnd80/05221716022D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (78)
1048

>  <Formula> (78)
C14H18N4O3

>  <MolWeight> (78)
290.31772

>  <Item Name> (78)
Trimethoprim

>  <Catalog Number> (78)
S3129

>  <Synonyms> (78)
N/A

>  <Target> (78)
Antifection

>  <Form> (78)
Free Base

>  <URL> (78)
http://www.selleckchem.com/products/trimethoprim.html

>  <CAS Number> (78)
738-70-5

>  <ALogP> (78)
1.543

>  <HBA_Count> (78)
5

>  <HBD_Count> (78)
2

>  <Num_RotatableBonds> (78)
5

>  <Name> (78)
Trimethoprim.cdx

$$$$
Carbenicillin disodium.cdx
csChFnd80/05221716022D

 29 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (79)
1059

>  <Formula> (79)
C17H16N2Na2O6S

>  <MolWeight> (79)
422.36328

>  <Item Name> (79)
Carbenicillin disodium

>  <Catalog Number> (79)
S3179

>  <Synonyms> (79)
N/A

>  <Target> (79)
Antifection

>  <Form> (79)
Disodium

>  <URL> (79)
http://www.selleckchem.com/products/carbenicillin-disodium.html

>  <CAS Number> (79)
4800-94-6

>  <ALogP> (79)
-2.218

>  <HBA_Count> (79)
2

>  <HBD_Count> (79)
1

>  <Num_RotatableBonds> (79)
5

>  <Name> (79)
Carbenicillin disodium.cdx

$$$$
Azlocillin sodium salt.cdx
csChFnd80/05221716022D

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M  END
>  <Mol_ID> (80)
1062

>  <Formula> (80)
C20H23N5NaO6S

>  <MolWeight> (80)
484.48129

>  <Item Name> (80)
Azlocillin sodium salt

>  <Catalog Number> (80)
S3195

>  <Synonyms> (80)
N/A

>  <Target> (80)
Antifection

>  <Form> (80)
Sodium Salt

>  <URL> (80)
http://www.selleckchem.com/products/azlocillin-sodium-salt.html

>  <CAS Number> (80)
37091-65-9

>  <ALogP> (80)
0.004

>  <HBA_Count> (80)
5

>  <HBD_Count> (80)
3

>  <Num_RotatableBonds> (80)
5

>  <Name> (80)
Azlocillin sodium salt.cdx

$$$$
Sulfathiazole.cdx
csChFnd80/05221716022D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (81)
1078

>  <Formula> (81)
C9H9N3O2S2

>  <MolWeight> (81)
255.31666

>  <Item Name> (81)
Sulfathiazole

>  <Catalog Number> (81)
S3116

>  <Synonyms> (81)
N/A

>  <Target> (81)
Antifection

>  <Form> (81)
Free Base

>  <URL> (81)
http://www.selleckchem.com/products/sulfathiazole.html

>  <CAS Number> (81)
72-14-0

>  <ALogP> (81)
0.568

>  <HBA_Count> (81)
3

>  <HBD_Count> (81)
2

>  <Num_RotatableBonds> (81)
3

>  <Name> (81)
Sulfathiazole.cdx

$$$$
Chlorhexidine Hydrochloride.cdx
csChFnd80/05221716022D

 36 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (82)
1102

>  <Formula> (82)
C22H32Cl4N10

>  <MolWeight> (82)
578.36848

>  <Item Name> (82)
Chlorhexidine HCl

>  <Catalog Number> (82)
S3067

>  <Synonyms> (82)
N/A

>  <Target> (82)
Antifection

>  <Form> (82)
HCl

>  <URL> (82)
http://www.selleckchem.com/products/chlorhexidine-hcl.html

>  <CAS Number> (82)
3697-42-5

>  <ALogP> (82)
5.137

>  <HBA_Count> (82)
0

>  <HBD_Count> (82)
6

>  <Num_RotatableBonds> (82)
17

>  <Name> (82)
Chlorhexidine Hydrochloride.cdx

$$$$
Foscarnet Sodium.cdx
csChFnd80/05221716022D

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M  END
>  <Mol_ID> (83)
1112

>  <Formula> (83)
CNa3O5P

>  <MolWeight> (83)
191.950771

>  <Item Name> (83)
Foscarnet Sodium

>  <Catalog Number> (83)
S3076

>  <Synonyms> (83)
N/A

>  <Target> (83)
Reverse Transcriptase

>  <Form> (83)
Sodium

>  <URL> (83)
http://www.selleckchem.com/products/foscarnet-sodium.html

>  <CAS Number> (83)
63585-09-1
63585-09-1

>  <ALogP> (83)
-4.033

>  <HBA_Count> (83)
0

>  <HBD_Count> (83)
0

>  <Num_RotatableBonds> (83)
1

>  <Name> (83)
Foscarnet Sodium.cdx

$$$$
etravirine (TMC125).cdx
csChFnd80/05221716022D

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Reverse Transcriptase

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etravirine (TMC125).cdx

$$$$
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Erythromycin ethylsuccinate.cdx

$$$$
Protionamide.cdx
csChFnd80/05221716022D

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$$$$
MICROSUL (sulfamethizole).cdx
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$$$$
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M  END
>  <Mol_ID> (88)
1195

>  <Formula> (88)
C8H11NO5S

>  <MolWeight> (88)
233.24164

>  <Item Name> (88)
Sulbactam

>  <Catalog Number> (88)
S1958

>  <Synonyms> (88)
N/A

>  <Target> (88)
Antifection

>  <Form> (88)
Free Base

>  <URL> (88)
http://www.selleckchem.com/products/sulbactam.html

>  <CAS Number> (88)
68373-14-8

>  <ALogP> (88)
-0.671

>  <HBA_Count> (88)
4

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0

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1

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Sulbactam.cdx

$$$$
Rimantadine.cdx
csChFnd80/05221716022D

 13 15  0  0  0  0  0  0  0  0999 V2000
    0.9751    2.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (89)
1197

>  <Formula> (89)
C12H21N

>  <MolWeight> (89)
179.30184

>  <Item Name> (89)
Rimantadine (Flumadine)

>  <Catalog Number> (89)
S1964

>  <Synonyms> (89)
N/A

>  <Target> (89)
Antifection

>  <Form> (89)
Free Base

>  <URL> (89)
http://www.selleckchem.com/products/rimantadine-flumadine.html

>  <CAS Number> (89)
13392-28-4

>  <ALogP> (89)
2.204

>  <HBA_Count> (89)
0

>  <HBD_Count> (89)
1

>  <Num_RotatableBonds> (89)
1

>  <Name> (89)
Rimantadine.cdx

$$$$
Balofloxacin.cdx
csChFnd80/05221716022D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.8413    2.6076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (90)
1206

>  <Formula> (90)
C20H24FN3O4

>  <MolWeight> (90)
389.4206632

>  <Item Name> (90)
Balofloxacin

>  <Catalog Number> (90)
S2064

>  <Synonyms> (90)
N/A

>  <Target> (90)
Topoisomerase

>  <Form> (90)
Free Base

>  <URL> (90)
http://www.selleckchem.com/products/balofloxacin.html

>  <CAS Number> (90)
127294-70-6

>  <ALogP> (90)
-0.615

>  <HBA_Count> (90)
3

>  <HBD_Count> (90)
1

>  <Num_RotatableBonds> (90)
5

>  <Name> (90)
Balofloxacin.cdx

$$$$
Arbidol hydrochloride.cdx
csChFnd80/05221716022D

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (91)
1229

>  <Formula> (91)
C22H26BrClN2O3S

>  <MolWeight> (91)
513.87544

>  <Item Name> (91)
Arbidol HCl

>  <Catalog Number> (91)
S2120

>  <Synonyms> (91)
N/A

>  <Target> (91)
Antifection

>  <Form> (91)
Hydrochloride

>  <URL> (91)
http://www.selleckchem.com/products/Arbidol-hcl.html

>  <CAS Number> (91)
131707-23-8

>  <ALogP> (91)
5.698

>  <HBA_Count> (91)
2

>  <HBD_Count> (91)
1

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8

>  <Name> (91)
Arbidol hydrochloride.cdx

$$$$
Roxithromycin.cdx
csChFnd80/05221716022D

 58 60  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (92)
1234

>  <Formula> (92)
C41H76N2O15

>  <MolWeight> (92)
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>  <Item Name> (92)
Roxithromycin (Roxl-150)

>  <Catalog Number> (92)
S2506

>  <Synonyms> (92)
Roxl-150, Roxo, Surlid, Rulide, Biaxsig, Roxar, Roximycin, Roxomycin, Tirabicin, Coroxin

>  <Target> (92)
Antifection

>  <Form> (92)
Free Base

>  <URL> (92)
http://www.selleckchem.com/products/Roxithromycin(Roxl-150).html

>  <CAS Number> (92)
80214-83-1

>  <ALogP> (92)
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13

>  <Name> (92)
Roxithromycin.cdx

$$$$
Sulbactam sodium.cdx
csChFnd80/05221716022D

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M  END
>  <Mol_ID> (93)
1236

>  <Formula> (93)
C8H10NNaO5S

>  <MolWeight> (93)
255.22347

>  <Item Name> (93)
Sulbactam sodium (Unasyn)

>  <Catalog Number> (93)
S2551

>  <Synonyms> (93)
N/A

>  <Target> (93)
Antifection

>  <Form> (93)
Sodium  salt

>  <URL> (93)
http://www.selleckchem.com/products/sulbactam-sodium-unasyn.html

>  <CAS Number> (93)
69388-84-7

>  <ALogP> (93)
-2.145

>  <HBA_Count> (93)
3

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0

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1

>  <Name> (93)
Sulbactam sodium.cdx

$$$$
amoxicillin.cdx
csChFnd80/05221716022D

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M  END
>  <Mol_ID> (94)
1243

>  <Formula> (94)
C16H19N3O5S

>  <MolWeight> (94)
365.40416

>  <Item Name> (94)
Amoxicillin (Amoxycillin)

>  <Catalog Number> (94)
S3015

>  <Synonyms> (94)
N/A

>  <Target> (94)
Antifection

>  <Form> (94)
Free Base

>  <URL> (94)
http://www.selleckchem.com/products/amoxicillin-amoxycillin.html

>  <CAS Number> (94)
26787-78-0

>  <ALogP> (94)
-2.539

>  <HBA_Count> (94)
3

>  <HBD_Count> (94)
3

>  <Num_RotatableBonds> (94)
4

>  <Name> (94)
amoxicillin.cdx

$$$$
AGENERASE (amprenavir).cdx
csChFnd80/05221716022D

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>  <Mol_ID> (95)
1249

>  <Formula> (95)
C25H35N3O6S

>  <MolWeight> (95)
505.6269

>  <Item Name> (95)
Amprenavir (Agenerase)

>  <Catalog Number> (95)
S1639

>  <Synonyms> (95)
Agenerase

>  <Target> (95)
HIV Protease

>  <Form> (95)
Free Base

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

>  <CAS Number> (95)
161814-49-9

>  <ALogP> (95)
2.429

>  <HBA_Count> (95)
5

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3

>  <Num_RotatableBonds> (95)
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>  <Name> (95)
AGENERASE (amprenavir).cdx

$$$$
ZAGAM (sparfloxacin).cdx
csChFnd80/05221716022D

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1266

>  <Formula> (96)
C19H22F2N4O3

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392.3997864

>  <Item Name> (96)
Sparfloxacin

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S1884

>  <Synonyms> (96)
N/A

>  <Target> (96)
Antifection

>  <Form> (96)
Free Base

>  <URL> (96)
http://www.selleckchem.com/products/sparfloxacin.html

>  <CAS Number> (96)
110871-86-8

>  <ALogP> (96)
-1.056

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2

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2

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3

>  <Name> (96)
ZAGAM (sparfloxacin).cdx

$$$$
PF-05208749.cdx
csChFnd80/05221716022D

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>  <Mol_ID> (97)
1291

>  <Formula> (97)
C30H35ClN2O3

>  <MolWeight> (97)
507.0635

>  <Item Name> (97)
Bazedoxifene HCl

>  <Catalog Number> (97)
S2128

>  <Synonyms> (97)
PF-05208749 HCl

>  <Target> (97)
Estrogen/progestin receptor

>  <Form> (97)
Hydrochloride

>  <URL> (97)
http://www.selleckchem.com/products/bazedoxifene-hcl.html

>  <CAS Number> (97)
198480-56-7

>  <ALogP> (97)
7.602

>  <HBA_Count> (97)
1

>  <HBD_Count> (97)
2

>  <Num_RotatableBonds> (97)
7

>  <Name> (97)
PF-05208749.cdx

$$$$
Pefloxacin mesylate dihydrate.cdx
csChFnd80/05221716022D

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M  END
>  <Mol_ID> (98)
1381

>  <Formula> (98)
C18H28FN3O8S

>  <MolWeight> (98)
465.4936232

>  <Item Name> (98)
Pefloxacin Mesylate Dihydrate

>  <Catalog Number> (98)
S4119

>  <Synonyms> (98)
N/A

>  <Target> (98)
Topoisomerase

>  <Form> (98)
Mesylate Dihydrate

>  <URL> (98)
https://www.selleckchem.com/products/pefloxacin-mesylate-dihydrate.html

>  <CAS Number> (98)
149676-40-4

>  <ALogP> (98)
-2.033

>  <HBA_Count> (98)
2

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0

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3

>  <Name> (98)
Pefloxacin mesylate dihydrate.cdx

$$$$
Azithromycin dihydrate.cdx
csChFnd80/05221716022D

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Azithromycin Dihydrate

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$$$$
CEPHALEXIN (cephalexin).cdx
csChFnd80/05221716022D

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CEPHALEXIN (cephalexin).cdx

$$$$
Emtricitabine.cdx
csChFnd80/05221716022D

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Emtricitabine

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Atripla

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Reverse Transcriptase

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Emtricitabine.cdx

$$$$
Idoxuridine.cdx
csChFnd80/05221716022D

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C9H11IN2O5

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Idoxuridin

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S1883

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Idoxuridine.cdx

$$$$
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csChFnd80/05221716022D

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M  END
>  <Mol_ID> (103)
1662

>  <Formula> (103)
C46H62N4O11

>  <MolWeight> (103)
847.00468

>  <Item Name> (103)
Rifabutin

>  <Catalog Number> (103)
S1741

>  <Synonyms> (103)
Mycobutin, Ansamycin, LM 427, Ansatipine

>  <Target> (103)
Antifection

>  <Form> (103)
Free Base

>  <URL> (103)
http://www.selleckchem.com/products/Rifabutin(Mycobutin).html

>  <CAS Number> (103)
72559-06-9

>  <ALogP> (103)
3.931

>  <HBA_Count> (103)
9

>  <HBD_Count> (103)
5

>  <Num_RotatableBonds> (103)
5

>  <Name> (103)
Rifabutin.cdx

$$$$
Rifampin.cdx
csChFnd80/05221716022D

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M  CFW  18 B_NG_STER 2
M  END
>  <Mol_ID> (104)
1663

>  <Formula> (104)
C43H58N4O12

>  <MolWeight> (104)
822.94022

>  <Item Name> (104)
Rifampin

>  <Catalog Number> (104)
S1764

>  <Synonyms> (104)
Rifampicin

>  <Target> (104)
DNA/RNA Synthesis

>  <Form> (104)
Free Base

>  <URL> (104)
http://www.selleckchem.com/products/Rifampin(Rifadin).html

>  <CAS Number> (104)
13292-46-1

>  <ALogP> (104)
3.262

>  <HBA_Count> (104)
8

>  <HBD_Count> (104)
6

>  <Num_RotatableBonds> (104)
5

>  <Name> (104)
Rifampin.cdx

$$$$
Rifapentine.cdx
csChFnd80/05221716022D

 63 68  0  0  0  0  0  0  0  0999 V2000
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M  CFW  18 B_NG_STER 2
M  END
>  <Mol_ID> (105)
1664

>  <Formula> (105)
C47H64N4O12

>  <MolWeight> (105)
877.03066

>  <Item Name> (105)
Rifapentine

>  <Catalog Number> (105)
S1760

>  <Synonyms> (105)
Cyclopentylrifampicin

>  <Target> (105)
DNA/RNA Synthesis

>  <Form> (105)
Free Base

>  <URL> (105)
http://www.selleckchem.com/products/Rifapentine(Priftin).html

>  <CAS Number> (105)
61379-65-5

>  <ALogP> (105)
4.664

>  <HBA_Count> (105)
8

>  <HBD_Count> (105)
6

>  <Num_RotatableBonds> (105)
6

>  <Name> (105)
Rifapentine.cdx

$$$$
Sofosbuvir(PSI-7977).cdx
csChFnd80/05221716022D

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M  END
>  <Mol_ID> (106)
1673

>  <Formula> (106)
C22H29FN3O9P

>  <MolWeight> (106)
529.4525242

>  <Item Name> (106)
Sofosbuvir(PSI-7977)

>  <Catalog Number> (106)
S2794

>  <Synonyms> (106)
N/A

>  <Target> (106)
DNA/RNA Synthesis

>  <Form> (106)
Free Base

>  <URL> (106)
http://www.selleckchem.com/products/psi-7977-gs-7977.html

>  <CAS Number> (106)
1190307-88-0

>  <ALogP> (106)
0.921

>  <HBA_Count> (106)
7

>  <HBD_Count> (106)
3

>  <Num_RotatableBonds> (106)
11

>  <Name> (106)
Sofosbuvir(PSI-7977).cdx

$$$$
TELAPREVIR (VX-950).cdx
csChFnd80/05221716022D

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M  END
>  <Mol_ID> (107)
1684

>  <Formula> (107)
C36H53N7O6

>  <MolWeight> (107)
679.84932

>  <Item Name> (107)
Telaprevir (VX-950)

>  <Catalog Number> (107)
S1538

>  <Synonyms> (107)
LY-570310, MP-424

>  <Target> (107)
HCV Protease

>  <Form> (107)
Free Base

>  <URL> (107)
http://www.selleckchem.com/products/Telaprevir(VX-950).html

>  <CAS Number> (107)
402957-28-2

>  <ALogP> (107)
2.685

>  <HBA_Count> (107)
8

>  <HBD_Count> (107)
4

>  <Num_RotatableBonds> (107)
14

>  <Name> (107)
TELAPREVIR (VX-950).cdx

$$$$
Ascomycin (FK 520, FR 900520, Immunomycin).cdx
csChFnd80/05221716022D

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M  END
>  <Mol_ID> (108)
1778

>  <Formula> (108)
C43H69NO12

>  <MolWeight> (108)
792.00746

>  <Item Name> (108)
Ascomycin (FK520)

>  <Catalog Number> (108)
S7411

>  <Synonyms> (108)
FR 900520, Immunomycin

>  <Target> (108)
Antifection

>  <Form> (108)
Free Base

>  <URL> (108)
http://www.selleckchem.com/products/ascomycin-fk520.html

>  <CAS Number> (108)
104987-12-4

>  <ALogP> (108)
4.766

>  <HBA_Count> (108)
9

>  <HBD_Count> (108)
2

>  <Num_RotatableBonds> (108)
6

>  <Name> (108)
Ascomycin (FK 520, FR 900520, Immunomycin).cdx

$$$$
Z-FA-FMK.cdx
csChFnd80/05221716022D

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M  END
>  <Mol_ID> (109)
1785

>  <Formula> (109)
C21H23FN2O4

>  <MolWeight> (109)
386.4167232

>  <Item Name> (109)
Z-FA-FMK

>  <Catalog Number> (109)
S7391

>  <Synonyms> (109)
N/A

>  <Target> (109)
Cysteine Protease

>  <Form> (109)
Free Base

>  <URL> (109)
http://www.selleckchem.com/products/z-fa-fmk.html

>  <CAS Number> (109)
197855-65-5

>  <ALogP> (109)
3.034

>  <HBA_Count> (109)
4

>  <HBD_Count> (109)
2

>  <Num_RotatableBonds> (109)
10

>  <Name> (109)
Z-FA-FMK.cdx

$$$$
SC75741.cdx
csChFnd80/05221716022D

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M  END
>  <Mol_ID> (110)
1796

>  <Formula> (110)
C29H23N7O2S2

>  <MolWeight> (110)
565.66862

>  <Item Name> (110)
SC75741

>  <Catalog Number> (110)
S7273

>  <Synonyms> (110)
N/A

>  <Target> (110)
NF-¦ÊB

>  <Form> (110)
Free Base

>  <URL> (110)
http://www.selleckchem.com/products/sc75741.html

>  <CAS Number> (110)
913822-46-5

>  <ALogP> (110)
5.57

>  <HBA_Count> (110)
6

>  <HBD_Count> (110)
2

>  <Num_RotatableBonds> (110)
6

>  <Name> (110)
SC75741.cdx

$$$$
AEBSF hydrochloride .cdx
csChFnd80/05221716022D

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M  END
>  <Mol_ID> (111)
1819

>  <Formula> (111)
C8H11ClFNO2S

>  <MolWeight> (111)
239.6948432

>  <Item Name> (111)
AEBSF HCl

>  <Catalog Number> (111)
S7378

>  <Synonyms> (111)
N/A

>  <Target> (111)
Serine Protease

>  <Form> (111)
Hydrochloride

>  <URL> (111)
http://www.selleckchem.com/products/aebsf-hcl.html

>  <CAS Number> (111)
30827-99-7

>  <ALogP> (111)
1.261

>  <HBA_Count> (111)
2

>  <HBD_Count> (111)
1

>  <Num_RotatableBonds> (111)
3

>  <Name> (111)
AEBSF hydrochloride .cdx

$$$$
Nelfinavir mesylate .cdx
csChFnd80/05221716022D

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M  END
>  <Mol_ID> (112)
1837

>  <Formula> (112)
C33H49N3O7S2

>  <MolWeight> (112)
663.88806

>  <Item Name> (112)
Nelfinavir Mesylate

>  <Catalog Number> (112)
S4282

>  <Synonyms> (112)
N/A

>  <Target> (112)
HIV Protease

>  <Form> (112)
Mesylate

>  <URL> (112)
http://www.selleckchem.com/products/nelfinavir-mesylate.html

>  <CAS Number> (112)
159989-65-8

>  <ALogP> (112)
4.871

>  <HBA_Count> (112)
2

>  <HBD_Count> (112)
4

>  <Num_RotatableBonds> (112)
10

>  <Name> (112)
Nelfinavir mesylate .cdx

$$$$
Demeclocycline hydrochloride.cdx
csChFnd80/05221716022D

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M  END
>  <Mol_ID> (113)
1840

>  <Formula> (113)
C21H22Cl2N2O8

>  <MolWeight> (113)
501.31398

>  <Item Name> (113)
Demeclocycline HCl

>  <Catalog Number> (113)
S4279

>  <Synonyms> (113)
N/A

>  <Target> (113)
Antifection

>  <Form> (113)
Hydrochloride

>  <URL> (113)
http://www.selleckchem.com/products/demeclocycline-hci.html

>  <CAS Number> (113)
64-73-3

>  <ALogP> (113)
-0.053

>  <HBA_Count> (113)
3

>  <HBD_Count> (113)
5

>  <Num_RotatableBonds> (113)
2

>  <Name> (113)
Demeclocycline hydrochloride.cdx

$$$$
Anidulafungin.cdx
csChFnd80/05221716022D

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 60 61  1  0  0  0  0
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 63 59  1  0  0  0  0
 54 63  1  0  0  0  0
 61 64  1  6  0  0  0
 58 65  2  0  0  0  0
 49 66  2  0  0  0  0
 66 67  1  0  0  0  0
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 68 69  1  0  0  0  0
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 70 49  1  0  0  0  0
 68 71  1  0  0  0  0
 71 72  2  0  0  0  0
 72 73  1  0  0  0  0
 73 74  2  0  0  0  0
 74 75  1  0  0  0  0
 75 76  2  0  0  0  0
 76 71  1  0  0  0  0
 74 77  1  0  0  0  0
 77 78  1  0  0  0  0
 78 79  1  0  0  0  0
 79 80  1  0  0  0  0
 80 81  1  0  0  0  0
 81 82  1  0  0  0  0
M  END
>  <Mol_ID> (114)
1843

>  <Formula> (114)
C58H73N7O17

>  <MolWeight> (114)
1140.23692

>  <Item Name> (114)
Anidulafungin (LY303366)

>  <Catalog Number> (114)
S4286

>  <Synonyms> (114)
N/A

>  <Target> (114)
Antifection

>  <Form> (114)
Free Base

>  <URL> (114)
http://www.selleckchem.com/products/anidulafungin-ly303366.html

>  <CAS Number> (114)
166663-25-8

>  <ALogP> (114)
-0.358

>  <HBA_Count> (114)
8

>  <HBD_Count> (114)
14

>  <Num_RotatableBonds> (114)
14

>  <Name> (114)
Anidulafungin.cdx

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/05221716022D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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    1.4000    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
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    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  1  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  6  1  0  0  0  0
  4 15  2  0  0  0  0
  3 16  2  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (115)
1860

>  <Formula> (115)
C19H17NO3

>  <MolWeight> (115)
307.34318

>  <Item Name> (115)
SF1670 (PTEN inhibitor)

>  <Catalog Number> (115)
S7310

>  <Synonyms> (115)
N/A

>  <Target> (115)
PTEN

>  <Form> (115)
Free Base

>  <URL> (115)
http://www.selleckchem.com/products/sf1670.html

>  <CAS Number> (115)
345630-40-2

>  <ALogP> (115)
3.475

>  <HBA_Count> (115)
3

>  <HBD_Count> (115)
1

>  <Num_RotatableBonds> (115)
2

>  <Name> (115)
SF1670 (PTEN inhibitor).cdx

$$$$
Mefloquine hydrochloride.cdx
csChFnd80/05221716022D

 28 29  0  0  0  0  0  0  0  0999 V2000
    9.3903    5.0511    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1702    6.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630    5.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3728    4.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5898    5.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970    6.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3908    7.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7961    4.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4674   10.4421    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2349    7.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8707    6.3798    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6029    8.8680    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4809    8.2578    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7961    3.4405    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5484    2.8066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9635    2.6800    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0076    1.6548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4171    0.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7822    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7380    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5092    3.9653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  5  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  6  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 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
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 22 28  1  6  0  0  0
M  END
>  <Mol_ID> (116)
1867

>  <Formula> (116)
C17H17ClF6N2O

>  <MolWeight> (116)
414.7730992

>  <Item Name> (116)
Mefloquine HCl

>  <Catalog Number> (116)
S4420

>  <Synonyms> (116)
N/A

>  <Target> (116)
Antifection

>  <Form> (116)
Hydrochloride

>  <URL> (116)
http://www.selleckchem.com/products/mefloquine-hcl.html

>  <CAS Number> (116)
51773-92-3

>  <ALogP> (116)
4.684

>  <HBA_Count> (116)
1

>  <HBD_Count> (116)
2

>  <Num_RotatableBonds> (116)
4

>  <Name> (116)
Mefloquine hydrochloride.cdx

$$$$
Doripenem Hydrate.cdx
csChFnd80/05221716022D

 30 31  0  0  0  0  0  0  0  0999 V2000
   10.3271    5.8623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    5.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    3.7393    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7471    3.7393    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7471    5.1442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0832    3.3052    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9090    4.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0832    5.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    6.1341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    2.7494    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    3.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0447    2.5227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1107    2.3823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3090    4.4418    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4062    3.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1099    1.9618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3888    1.3923    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5214    2.2152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2425    2.7847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5159    6.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  5  1  0  0  0  0
  2  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  6  0  0  0
  3 13  1  6  0  0  0
  4 14  1  1  0  0  0
  7 15  1  0  0  0  0
 16 15  1  1  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  1  0  0  0  0
 19 21  1  1  0  0  0
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 22 23  1  0  0  0  0
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 23 25  2  0  0  0  0
 23 26  2  0  0  0  0
  8 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  6 30  1  6  0  0  0
M  END
>  <Mol_ID> (117)
1874

>  <Formula> (117)
C15H26N4O7S2

>  <MolWeight> (117)
438.51954

>  <Item Name> (117)
Doripenem Hydrate

>  <Catalog Number> (117)
S1374

>  <Synonyms> (117)
S-4661

>  <Target> (117)
Antifection

>  <Form> (117)
Hydrate

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

>  <CAS Number> (117)
364622-82-2

>  <ALogP> (117)
-5.546

>  <HBA_Count> (117)
4

>  <HBD_Count> (117)
4

>  <Num_RotatableBonds> (117)
7

>  <Name> (117)
Doripenem Hydrate.cdx

$$$$
Mupirocin .cdx
csChFnd80/05221716022D

 37 38  0  0  0  0  0  0  0  0999 V2000
    7.3070    3.7256    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4543    2.3288    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7382    1.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8805    2.5830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260    3.9813    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.8571    4.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1366    4.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2850    2.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   25.3211    6.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
  2 27  1  0  0  0  0
 28 27  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 28  1  0  0  0  0
  2 31  1  1  0  0  0
 30 32  1  1  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 36  1  1  0  0  0
 34 37  1  6  0  0  0
M  END
>  <Mol_ID> (118)
1890

>  <Formula> (118)
C26H44O9

>  <MolWeight> (118)
500.62216

>  <Item Name> (118)
Mupirocin

>  <Catalog Number> (118)
S4297

>  <Synonyms> (118)
N/A

>  <Target> (118)
DNA/RNA Synthesis

>  <Form> (118)
Free Base

>  <URL> (118)
http://www.selleckchem.com/products/mupirocin.html

>  <CAS Number> (118)
12650-69-0

>  <ALogP> (118)
2.739

>  <HBA_Count> (118)
5

>  <HBD_Count> (118)
3

>  <Num_RotatableBonds> (118)
17

>  <Name> (118)
Mupirocin .cdx

$$$$
Erythromycin cyclocarbonate.cdx
csChFnd80/05221716022D

 56 59  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  2  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
    8.4870    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  2  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
   12.1244    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  2  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
   13.3368    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  1  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
    9.4770    0.4101    0.0000 O   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 O   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
   15.8807    1.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7036    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8807    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1036    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 O   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
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7497    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4874    4.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 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
 10 16  1  0  0  0  0
 10 17  1  1  0  0  0
 12 18  1  6  0  0  0
 13 19  2  0  0  0  0
 14 20  1  1  0  0  0
  9 15  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  9  1  0  0  0  0
 22 24  2  0  0  0  0
 15 25  1  1  0  0  0
  9 26  1  6  0  0  0
  8 27  1  6  0  0  0
 27 28  1  0  0  0  0
  6 29  2  0  0  0  0
  5 30  1  6  0  0  0
  2 31  1  6  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 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 32 38  1  6  0  0  0
 34 39  1  1  0  0  0
 36 40  1  1  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 37 43  1  6  0  0  0
  4 44  1  6  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 45  1  0  0  0  0
 47 51  1  6  0  0  0
 48 52  1  1  0  0  0
 49 53  1  0  0  0  0
 53 54  1  0  0  0  0
 49 55  1  6  0  0  0
 45 56  1  6  0  0  0
M  END
>  <Mol_ID> (119)
1893

>  <Formula> (119)
C38H65NO14

>  <MolWeight> (119)
759.921

>  <Item Name> (119)
Erythromycin Cyclocarbonate

>  <Catalog Number> (119)
S7550

>  <Synonyms> (119)
N/A

>  <Target> (119)
Antifection

>  <Form> (119)
Free Base

>  <URL> (119)
http://www.selleckchem.com/products/erythromycin-cyclocarbonate.html

>  <CAS Number> (119)
55224-05-0

>  <ALogP> (119)
3.172

>  <HBA_Count> (119)
11

>  <HBD_Count> (119)
2

>  <Num_RotatableBonds> (119)
7

>  <Name> (119)
Erythromycin cyclocarbonate.cdx

$$$$
Salmeterol xinafoate.cdx
csChFnd80/05221716022D

 44 46  0  0  0  0  0  0  0  0999 V2000
    6.5870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0118    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0118    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2243    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4367    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4367    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2243    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2243    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6491    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8616    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6491    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.5050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2746    7.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.5050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2951    8.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5076    7.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7200    8.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9324    7.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1449    8.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    7.8050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3573    7.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5697    8.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5697    9.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3573   10.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1449    9.8321    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 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 33 32  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 29  1  0  0  0  0
 33 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 33  1  0  0  0  0
M  END
>  <Mol_ID> (120)
1900

>  <Formula> (120)
C36H45NO7

>  <MolWeight> (120)
603.745

>  <Item Name> (120)
Salmeterol Xinafoate

>  <Catalog Number> (120)
S4296

>  <Synonyms> (120)
N/A

>  <Target> (120)
Adrenergic Receptor

>  <Form> (120)
xinafoate

>  <URL> (120)
http://www.selleckchem.com/products/salmeterol-xinafoate.html

>  <CAS Number> (120)
94749-08-3

>  <ALogP> (120)
3.673

>  <HBA_Count> (120)
2

>  <HBD_Count> (120)
5

>  <Num_RotatableBonds> (120)
17

>  <Name> (120)
Salmeterol xinafoate.cdx

$$$$
PJ34.cdx
csChFnd80/05221716022D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8142    4.2576    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 O   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
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (121)
1921

>  <Formula> (121)
C17H18ClN3O2

>  <MolWeight> (121)
331.79672

>  <Item Name> (121)
PJ34 HCl

>  <Catalog Number> (121)
S7300

>  <Synonyms> (121)
N/A

>  <Target> (121)
PARP

>  <Form> (121)
Hydrochloride

>  <URL> (121)
http://www.selleckchem.com/products/pj34-hcl.html

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344458-15-7

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PJ34.cdx

$$$$
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>  <Mol_ID> (122)
1945

>  <Formula> (122)
C25H23ClN2O3

>  <MolWeight> (122)
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>  <Item Name> (122)
GSK1324726A (I-BET726)

>  <Catalog Number> (122)
S7620

>  <Synonyms> (122)
N/A

>  <Target> (122)
Epigenetic Reader Domain

>  <Form> (122)
Free Base

>  <URL> (122)
http://www.selleckchem.com/products/gsk1324726a-i-bet726.html

>  <CAS Number> (122)
1300031-52-0

>  <ALogP> (122)
4.648

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GSK1324726A (I-BET726).cdx

$$$$
RN486.cdx
csChFnd80/05221716022D

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1989

>  <Formula> (123)
C35H35FN6O3

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606.6892032

>  <Item Name> (123)
RN486

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S7080

>  <Synonyms> (123)
N/A

>  <Target> (123)
BTK

>  <Form> (123)
Free Base

>  <URL> (123)
http://www.selleckchem.com/products/rn486.html

>  <CAS Number> (123)
no

>  <ALogP> (123)
3.061

>  <HBA_Count> (123)
3

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2

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7

>  <Name> (123)
RN486.cdx

$$$$
Anisomycin.cdx
csChFnd80/05221716022D

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2033

>  <Formula> (124)
C14H19NO4

>  <MolWeight> (124)
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>  <Item Name> (124)
Anisomycin

>  <Catalog Number> (124)
S7409

>  <Synonyms> (124)
Flagecidin

>  <Target> (124)
JNK

>  <Form> (124)
Free Base

>  <URL> (124)
http://www.selleckchem.com/products/anisomycin.html

>  <CAS Number> (124)
22862-76-6

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0.877

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3

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2

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>  <Name> (124)
Anisomycin.cdx

$$$$
Licochalcone A.cdx
csChFnd80/05221716022D

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2054

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Licochalcone A

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>  <Synonyms> (125)
N/A

>  <Target> (125)
Estrogen/progestogen Receptor

>  <Form> (125)
Free Base

>  <URL> (125)
http://www.selleckchem.com/products/licochalcone-a.html

>  <CAS Number> (125)
58749-22-7

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4.667

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Licochalcone A.cdx

$$$$
S3027.cdx
csChFnd80/05221716022D

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>  <Mol_ID> (126)
2078

>  <Formula> (126)
C30H30CaO8

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558.6324

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Fenoprofen calcium hydrate

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S3027

>  <Synonyms> (126)
N/A

>  <Target> (126)
Immunology & Inflammation related

>  <Form> (126)
Calcium dihydrate salt

>  <URL> (126)
http://www.selleckchem.com/products/fenoprofen-calcium-hydrate.html

>  <CAS Number> (126)
71720-56-4

>  <ALogP> (126)
6.802

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6

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0

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12

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S3027.cdx

$$$$
T-705 (Favipiravir).cdx
csChFnd80/05221716022D

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>  <Mol_ID> (127)
2127

>  <Formula> (127)
C5H4FN3O2

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157.1025632

>  <Item Name> (127)
Favipiravir (T-705)

>  <Catalog Number> (127)
S7975

>  <Synonyms> (127)
N/A

>  <Target> (127)
DNA/RNA Synthesis

>  <Form> (127)
Free Base

>  <URL> (127)
http://www.selleckchem.com/products/favipiravir-t-705.html

>  <CAS Number> (127)
259793-96-9

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T-705 (Favipiravir).cdx

$$$$
Neomycin sulfate.cdx
csChFnd80/05221716022D

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>  <Mol_ID> (128)
2246

>  <Formula> (128)
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>  <MolWeight> (128)
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>  <Item Name> (128)
Neomycin sulfate

>  <Catalog Number> (128)
S2568

>  <Synonyms> (128)
N/A

>  <Target> (128)
Antifection

>  <Form> (128)
Sulfate

>  <URL> (128)
http://www.selleckchem.com/products/Neomycin-sulfate.html

>  <CAS Number> (128)
1405-10-3

>  <ALogP> (128)
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13

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Neomycin sulfate.cdx

$$$$
Bismuth subcitrate potassium.cdx
csChFnd80/05221716022D

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 24 31  2  0  0  0  0
 24 32  1  0  0  0  0
M  END
>  <Mol_ID> (129)
2274

>  <Formula> (129)
C12H10BiK5O14+2

>  <MolWeight> (129)
782.67128

>  <Item Name> (129)
Bismuth Subcitrate Potassium

>  <Catalog Number> (129)
S4093

>  <Synonyms> (129)
N/A

>  <Target> (129)
Antifection

>  <Form> (129)
Potassium salt

>  <URL> (129)
http://www.selleckchem.com/products/bismuth-subcitrate-potassium.html

>  <CAS Number> (129)
880149-29-1

>  <ALogP> (129)
-11.482

>  <HBA_Count> (129)
0

>  <HBD_Count> (129)
0

>  <Num_RotatableBonds> (129)
10

>  <Name> (129)
Bismuth subcitrate potassium.cdx

$$$$
Teicoplanin.cdx
csChFnd80/05221716022D

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A   35
R
A  185
?R:?
M  END
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2300

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Teicoplanin

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S1399

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Teichomycin

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Antifection

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Free Base

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

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61036-62-2

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14.847

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Teicoplanin.cdx

$$$$
Nitrofurantoin.cdx
csChFnd80/05221716022D

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2430

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C8H6N4O5

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238.15704

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Nitrofurantoin

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S4536

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Macrodantin, Furadantine, Furadonine

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Antifection

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Free Base

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67-20-9

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$$$$
Resorcinol.cdx
csChFnd80/05221716022D

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C6H6O2

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110.11064

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Resorcinol

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m-dihydroxybenzene, 3-hydroxyphenol

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Antifection

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Free Base

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108-46-3

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Resorcinol.cdx

$$$$
S4516 (+)-Camphor.cdx
csChFnd80/05221716022D

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2470

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C10H16O

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152.23344

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(+)-Camphor

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S4516

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N/A

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TRPV

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Free Base

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0

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S4516 (+)-Camphor.cdx

$$$$
S4599 Benzyl benzoate.cdx
csChFnd80/05221716022D

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2484

>  <Formula> (134)
C14H12O2

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212.24388

>  <Item Name> (134)
Benzyl benzoate

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S4599

>  <Synonyms> (134)
Ascabiol, Novoscabin, Scabitox, Benzoic acid benzyl ester

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Others

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Free Base

>  <URL> (134)
http://www.selleckchem.com/products/benzyl-benzoate.html

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120-51-4

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3.268

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0

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>  <Name> (134)
S4599 Benzyl benzoate.cdx

$$$$
S4596 Cefixime.cdx
csChFnd80/05221716022D

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M  END
>  <Mol_ID> (135)
2486

>  <Formula> (135)
C16H15N5O7S2

>  <MolWeight> (135)
453.4496

>  <Item Name> (135)
Cefixime

>  <Catalog Number> (135)
S4596

>  <Synonyms> (135)
Cefixima, Cefiximum, Cephoral, Cefspan, FR-17027, FK-027, CL-284635

>  <Target> (135)
Antifection

>  <Form> (135)
Free Base

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

>  <CAS Number> (135)
79350-37-1

>  <ALogP> (135)
-0.651

>  <HBA_Count> (135)
7

>  <HBD_Count> (135)
2

>  <Num_RotatableBonds> (135)
8

>  <Name> (135)
S4596 Cefixime.cdx

$$$$
S4591 Nitroxoline.cdx
csChFnd80/05221716022D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (136)
2488

>  <Formula> (136)
C9H6N2O3

>  <MolWeight> (136)
190.15554

>  <Item Name> (136)
Nitroxoline

>  <Catalog Number> (136)
S4591

>  <Synonyms> (136)
8-Hydroxy-5-nitroquinoline, 5-nitroquinolin-8-ol, 5-Nitro-8-quinolinol|5-Nitro-8-hydroxyquinoline

>  <Target> (136)
Topoisomerase

>  <Form> (136)
Free Base

>  <URL> (136)
http://www.selleckchem.com/products/nitroxoline.html

>  <CAS Number> (136)
4008-48-4

>  <ALogP> (136)
1.668

>  <HBA_Count> (136)
1

>  <HBD_Count> (136)
1

>  <Num_RotatableBonds> (136)
1

>  <Name> (136)
S4591 Nitroxoline.cdx

$$$$
S4663 Fusidate Sodium.cdx
csChFnd80/05221716022D

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M  END
>  <Mol_ID> (137)
2576

>  <Formula> (137)
C31H47NaO6

>  <MolWeight> (137)
538.69105

>  <Item Name> (137)
Fusidate Sodium

>  <Catalog Number> (137)
S4663

>  <Synonyms> (137)
Fucidin, Sodium fusidate, SQ-16360

>  <Target> (137)
Antifection

>  <Form> (137)
sodium salt

>  <URL> (137)
http://www.selleckchem.com/products/fusidate-sodium.html

>  <CAS Number> (137)
751-94-0

>  <ALogP> (137)
3.623

>  <HBA_Count> (137)
2

>  <HBD_Count> (137)
2

>  <Num_RotatableBonds> (137)
6

>  <Name> (137)
S4663 Fusidate Sodium.cdx

$$$$
Atazanavir.cdx
csChFnd80/05221716022D

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M  END
>  <Mol_ID> (138)
2593

>  <Formula> (138)
C38H52N6O7

>  <MolWeight> (138)
704.85548

>  <Item Name> (138)
Atazanavir

>  <Catalog Number> (138)
S4662

>  <Synonyms> (138)
Latazanavir, Zrivada, Reyataz, BMS-232632

>  <Target> (138)
HIV Protease

>  <Form> (138)
Free Base

>  <URL> (138)
http://www.selleckchem.com/products/atazanavir-reyataz.html

>  <CAS Number> (138)
198904-31-3

>  <ALogP> (138)
4.69

>  <HBA_Count> (138)
7

>  <HBD_Count> (138)
5

>  <Num_RotatableBonds> (138)
18

>  <Name> (138)
Atazanavir.cdx

$$$$
Kanamycin sulfate.cdx
csChFnd80/05221716022D

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 13  8  1  0  0  0  0
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 29 34  1  0  0  0  0
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M  END
>  <Mol_ID> (139)
2594

>  <Formula> (139)
C18H38N4O15S

>  <MolWeight> (139)
582.57712

>  <Item Name> (139)
Kanamycin sulfate

>  <Catalog Number> (139)
S2315

>  <Synonyms> (139)
Kanamycin monosulfate

>  <Target> (139)
Antifection

>  <Form> (139)
sulfate

>  <URL> (139)
http://www.selleckchem.com/products/Kanamycin-sulfate(Kantrex).html

>  <CAS Number> (139)
25389-94-0

>  <ALogP> (139)
-7.751

>  <HBA_Count> (139)
4

>  <HBD_Count> (139)
11

>  <Num_RotatableBonds> (139)
6

>  <Name> (139)
Kanamycin sulfate.cdx

$$$$
Polymyxin B sulphate.cdx
csChFnd80/05221716022D

 90 90  0  0  0  0  0  0  0  0999 V2000
   24.8282   11.5455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.8182   12.5355    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   28.2081   11.5455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.6081   11.5455    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (140)
2597

>  <Formula> (140)
C56H100N16O17S

>  <MolWeight> (140)
1301.5552

>  <Item Name> (140)
Polymyxin B sulphate

>  <Catalog Number> (140)
S1395

>  <Synonyms> (140)
Aerosporin, PMB, Poly-RX

>  <Target> (140)
Antifection

>  <Form> (140)
sulfate

>  <URL> (140)
http://www.selleckchem.com/products/Polymyxin-B-sulphate.html

>  <CAS Number> (140)
1405-20-5, 4135-11-9 (free base)

>  <ALogP> (140)
-6.873

>  <HBA_Count> (140)
11

>  <HBD_Count> (140)
18

>  <Num_RotatableBonds> (140)
29

>  <Name> (140)
Polymyxin B sulphate.cdx

$$$$
Amikacin hydrate.cdx
csChFnd80/05221716022D

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    3.3446    4.2073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.7779    4.2073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5612    4.9098    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1321    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5612    6.3097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3488    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2028    4.2073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9945    3.5049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2028    2.8024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4194    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6361    2.8024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6361    4.2073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4194    4.9098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8485    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0609    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2734    2.1024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.8199    9.9430    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8199    8.5382    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0366    7.8357    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.2532    8.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2532    9.9430    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0366   10.6455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4657   10.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6075   10.6430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0366   12.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6075    7.8382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4657   12.0430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7561   22.8016    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   22.8016    0.0000 O   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
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
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  1  7  1  6  0  0  0
  3  8  1  6  0  0  0
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  8 11  1  0  0  0  0
  5 12  1  0  0  0  0
 13 12  1  1  0  0  0
  5 14  1  6  0  0  0
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 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
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 28 29  1  0  0  0  0
 25 30  1  6  0  0  0
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A   42
R
M  END
>  <Mol_ID> (141)
2631

>  <Formula> (141)
C22H45N5O14R

>  <MolWeight> (141)
603.6178

>  <Item Name> (141)
Amikacin hydrate

>  <Catalog Number> (141)
S3122

>  <Synonyms> (141)
N/A

>  <Target> (141)
Antifection

>  <Form> (141)
Hydrate

>  <URL> (141)
http://www.selleckchem.com/products/amikacin-hydrate.html

>  <CAS Number> (141)
1257517-67-1

>  <ALogP> (141)
-7.899

>  <Num_RotatableBonds> (141)
10

>  <Name> (141)
Amikacin hydrate.cdx

$$$$
S4678 Povidone iodine.cdx
csChFnd80/05221716022D

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    0.0756    3.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.4730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3409    3.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082    4.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5082    4.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6677    2.8648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.0779    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4165    0.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 10  1  0  0  0  0
A   11
n
A   12
xI2
M  END
>  <Mol_ID> (142)
3202

>  <Formula> (142)
C8H15NOR2

>  <MolWeight> (142)
141.2108

>  <Item Name> (142)
Povidone iodine

>  <Catalog Number> (142)
S4678

>  <Synonyms> (142)
Betadine, PVP iodine, PVP-I, Isodine

>  <Target> (142)
Antifection

>  <Form> (142)
Free Base

>  <URL> (142)
http://www.selleckchem.com/products/povidone-iodine.html

>  <CAS Number> (142)
25655-41-8

>  <ALogP> (142)
0

>  <HBA_Count> (142)
0

>  <HBD_Count> (142)
0

>  <Num_RotatableBonds> (142)
0

$$$$
