untitled.cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (1)
13

>  <Formula> (1)
C53H84NO14P

>  <MolWeight> (1)
990.206121

>  <Cat> (1)
S1022

>  <Name> (1)
Deforolimus (MK-8669) 

>  <Synonyms> (1)
AP23573, MK-8669

>  <Target> (1)
mTOR

>  <Form> (1)
Free Base

>  <CAS> (1)
572924-54-0

>  <URL> (1)
http://www.selleckchem.com/products/Deforolimus.html

$$$$
RAPAMYCIN.cdx
csChFnd80/03272010092D

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>  <Mol_ID> (2)
27

>  <Formula> (2)
C51H79NO13

>  <MolWeight> (2)
914.17186

>  <Cat> (2)
S1039

>  <Name> (2)
Rapamycin (Sirolimus)

>  <Synonyms> (2)
N/A 

>  <Target> (2)
mTOR 

>  <Form> (2)
Free Base

>  <CAS> (2)
53123-88-9

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

$$$$
Everolimus.cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (3)
74

>  <Formula> (3)
C53H83NO14

>  <MolWeight> (3)
958.22442

>  <Cat> (3)
S1120

>  <Name> (3)
Everolimus (RAD001)

>  <Synonyms> (3)
Certican, Zortress, Afinitor

>  <Target> (3)
mTOR

>  <Form> (3)
Free Base

>  <CAS> (3)
159351-69-6

>  <URL> (3)
http://www.selleckchem.com/products/Everolimus(RAD001).html

$$$$
untitled.cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (4)
84

>  <Formula> (4)
C31H43N3O8

>  <MolWeight> (4)
585.68842

>  <Cat> (4)
S1141

>  <Name> (4)
17-AAG (Tanespimycin)

>  <Synonyms> (4)
N/A 

>  <Target> (4)
HSP

>  <Form> (4)
Free Base

>  <CAS> (4)
75747-14-7

>  <URL> (4)
http://www.selleckchem.com/products/17-AAG(Geldanamycin).html

$$$$
17-DMAG.cdx
csChFnd80/03272010092D

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   13.3825   10.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3825   11.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1700    9.7587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7957    8.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5169   12.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7293   10.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.6561    0.0000 Cl  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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 13 19  1  6  0  0  0
 16 20  1  0  0  0  0
 16 21  1  6  0  0  0
 20 22  1  6  0  0  0
 20 23  1  0  0  0  0
 23 24  2  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
 25 28  1  1  0  0  0
 27 32  1  0  0  0  0
 27 33  1  1  0  0  0
 32 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
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  3 42  2  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 17 18  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (5)
86

>  <Formula> (5)
C32H49ClN4O8

>  <MolWeight> (5)
653.20646

>  <Cat> (5)
S1142

>  <Name> (5)
17-DMAG HCl (Alvespimycin)

>  <Synonyms> (5)
NSC 707545 

>  <Target> (5)
HSP

>  <Form> (5)
Hydrochloride

>  <CAS> (5)
467214-21-7

>  <URL> (5)
http://www.selleckchem.com/products/17-DMAG,Hydrochloride-Salt.html

$$$$
Danoprevir (RG7227,ITMN-191,RO5190591).cdx
csChFnd80/03272010092D

 51 56  0  0  0  0  0  0  0  0999 V2000
    7.0452    8.3197    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3452    7.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2820    6.0669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9683    1.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2584    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0459    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0459    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0560    3.0900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0560    4.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7363    4.9426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7670    2.5561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6602    3.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3713    2.8715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2644    3.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8423    4.7886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4777    9.5943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.1312    0.0000 C   0  0  0  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  1  1  0  0  0  0
  4  6  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  8  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  1  0  0  0  0
 10 19  1  1  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  3 27  1  0  0  0  0
 27 28  2  0  0  0  0
 26 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
 30 33  2  0  0  0  0
  1 34  1  6  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  2  0  0  0  0
 39 40  1  0  0  0  0
 40 36  1  0  0  0  0
 38 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 39  1  0  0  0  0
 44 45  1  0  0  0  0
 35 46  2  0  0  0  0
 32 47  1  0  0  0  0
 32 48  1  0  0  0  0
 32 49  1  0  0  0  0
  9 50  2  0  0  0  0
  6 51  2  0  0  0  0
M  END
>  <Mol_ID> (6)
111

>  <Formula> (6)
C35H46FN5O9S

>  <MolWeight> (6)
731.8312432

>  <Cat> (6)
S1183

>  <Name> (6)
Danoprevir (ITMN-191)

>  <Synonyms> (6)
RG7227, ITMN-191, RO5190591

>  <Target> (6)
Proteasome, HCV Protease

>  <Form> (6)
Free Base

>  <CAS> (6)
850876-88-9, 916881-67-9, 1001913-18-3, 1225266-12-5

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

$$$$
Vitamin B12.cdx
csChFnd80/03272010092D

 94100  0  0  0  0  0  0  0  0999 V2000
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    4.6330   17.1265    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6481   16.1242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2547   14.9370    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5939   15.1971    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    5.8803   16.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5530   16.2838    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6008   17.2195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (7)
189

>  <Formula> (7)
C63H88CoN14O14P

>  <MolWeight> (7)
1355.365181

>  <Cat> (7)
S1902

>  <Name> (7)
Vitamin B12

>  <Synonyms> (7)
Cobalamin, vitamin B-12, Cyanocobalamin 

>  <Target> (7)
Vitamin

>  <Form> (7)
Free Base

>  <CAS> (7)
68-19-9

>  <URL> (7)
http://www.selleckchem.com/products/Vitamin-B12.html

$$$$
NEORAL (cyclosporine).cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (8)
315

>  <Formula> (8)
C62H111N11O12

>  <MolWeight> (8)
1202.61124

>  <Cat> (8)
S1514

>  <Name> (8)
Cyclosporine (Neoral)

>  <Synonyms> (8)
Sandimmune, Gengraf, Restasis, Atopica, Sangcya 

>  <Target> (8)
phosphatase

>  <Form> (8)
Free Base

>  <CAS> (8)
79217-60-0

>  <URL> (8)
http://www.selleckchem.com/products/Cyclosporine.html

$$$$
ABELCET (amphotericin b).cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (9)
336

>  <Formula> (9)
C47H73NO17

>  <MolWeight> (9)
924.07902

>  <Cat> (9)
S1636

>  <Name> (9)
Amphotericin B

>  <Synonyms> (9)
N/A

>  <Target> (9)
Antifection

>  <Form> (9)
Free Base

>  <CAS> (9)
1397-89-3

>  <URL> (9)
http://www.selleckchem.com/products/Amphotericin-B(Abelcet).

$$$$
Clarithromycin.cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (10)
338

>  <Formula> (10)
C38H69NO13

>  <MolWeight> (10)
747.95336

>  <Cat> (10)
S2555

>  <Name> (10)
Clarithromycin (Biaxin, Klacid)

>  <Synonyms> (10)
Crixan, Klaricid, Klabax, Claripen, Clarem, Claridar, Fromilid, Clacid, Clacee, Vikrol, Infex, Clari 

>  <Target> (10)
P450

>  <Form> (10)
Free Base

>  <CAS> (10)
81103-11-9

>  <URL> (10)
http://www.selleckchem.com/products/clarithromycin.html

$$$$
XIFAXAN (rifaximin).cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (11)
462

>  <Formula> (11)
C43H51N3O11

>  <MolWeight> (11)
785.87854

>  <Cat> (11)
S1790

>  <Name> (11)
Rifaximin (Xifaxan)

>  <Synonyms> (11)
Rifacol, Fatroximin

>  <Target> (11)
DNA/RNA Synthesis

>  <Form> (11)
Free Base

>  <CAS> (11)
80621-81-4

>  <URL> (11)
http://www.selleckchem.com/products/Rifaximin(Xifaxan).html

$$$$
VISUDYNE (verteporfin).cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (12)
610

>  <Formula> (12)
C41H42N4O8

>  <MolWeight> (12)
718.79418

>  <Cat> (12)
S1786

>  <Name> (12)
Verteporfin (Visudyne)

>  <Synonyms> (12)
Visudyne

>  <Target> (12)
5-alpha Reductase 

>  <Form> (12)
Free Base

>  <CAS> (12)
129497-78-5

>  <URL> (12)
http://www.selleckchem.com/products/Verteporfin(Visudyne).html

$$$$
ivermectin.cdx
csChFnd80/03272010092D

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 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 62 57  1  0  0  0  0
 57 63  1  1  0  0  0
 61 64  1  1  0  0  0
 60 65  1  6  0  0  0
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 66 67  1  0  0  0  0
 32 68  1  0  0  0  0
M  END
>  <Mol_ID> (13)
669

>  <Formula> (13)
C48H74O14

>  <MolWeight> (13)
875.09276

>  <Cat> (13)
S1351

>  <Name> (13)
Ivermectin

>  <Synonyms> (13)
Stromectol

>  <Target> (13)
Antifection

>  <Form> (13)
Free Base

>  <CAS> (13)
70288-86-7

>  <URL> (13)
http://www.selleckchem.com/products/Ivermectin.html

$$$$

csChFnd80/03272010092D

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 52 41  1  6  0  0  0
M  END
>  <Mol_ID> (14)
705

>  <Formula> (14)
C38H72N2O12

>  <MolWeight> (14)
748.98448

>  <Cat> (14)
s1835

>  <Name> (14)
Azithromycin

>  <Synonyms> (14)
CP-62993, XZ-450

>  <Target> (14)
autophagy

>  <Form> (14)
Free Base

>  <CAS> (14)
83905-01-5

>  <URL> (14)
http://www.selleckchem.com/products/azithromycin-zithromax.h

$$$$
Cyclosporin A.cdx
csChFnd80/03272010092D

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 63 82  1  0  0  0  0
 82 22  1  0  0  0  0
 82 83  2  0  0  0  0
 63 84  1  0  0  0  0
 44 85  1  1  0  0  0
M  END
>  <Mol_ID> (15)
716

>  <Formula> (15)
C62H111N11O12

>  <MolWeight> (15)
1202.61124

>  <Cat> (15)
S2286

>  <Name> (15)
Cyclosporin A

>  <Synonyms> (15)
Cyclosporine A

>  <Target> (15)
phosphatase

>  <Form> (15)
Free Base

>  <CAS> (15)
59865-13-3

>  <URL> (15)
http://www.selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html

$$$$
P.cdx
csChFnd80/03272010092D

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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  1  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
    8.4870    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2046    3.5415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4170    2.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4213    5.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  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
  1  7  1  1  0  0  0
  7  8  1  0  0  0  0
  6  9  1  1  0  0  0
  3 10  1  1  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  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 21  1  0  0  0  0
 18 25  1  6  0  0  0
 21 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  1  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  6  0  0  0
 32 37  1  1  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
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 41 42  1  0  0  0  0
 14 43  1  1  0  0  0
 16 44  1  1  0  0  0
 16 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
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 49 50  1  0  0  0  0
 38 51  1  1  0  0  0
 51 52  1  0  0  0  0
 40 53  1  6  0  0  0
 40 54  1  0  0  0  0
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 56 55  2  0  0  0  0
 56 57  1  0  0  0  0
M  END
>  <Mol_ID> (16)
840

>  <Formula> (16)
C43H68ClNO11

>  <MolWeight> (16)
810.45312

>  <Cat> (16)
S5004

>  <Name> (16)
Pimecrolimus

>  <Synonyms> (16)
Elidel, SDZ-ASM-981

>  <Target> (16)
Others

>  <Form> (16)
Free Base

>  <CAS> (16)
137071-32-0

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

$$$$
erythromycin.cdx
csChFnd80/03272010092D

 52 54  0  0  0  0  0  0  0  0999 V2000
    6.2951    8.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8927    2.2099    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9927    7.2388    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5927    0.9975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9470    1.3523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  4  7  1  1  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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  9 19  1  6  0  0  0
 19 20  1  0  0  0  0
 15 21  1  6  0  0  0
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 16 23  1  6  0  0  0
  2 24  1  6  0  0  0
  3 25  2  0  0  0  0
 12 26  1  1  0  0  0
 22 27  1  0  0  0  0
 16 28  1  0  0  0  0
 28  1  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 27  1  0  0  0  0
 34 35  1  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 23 35  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 37 43  1  1  0  0  0
 28 45  1  6  0  0  0
 28 46  1  1  0  0  0
 38 37  1  0  0  0  0
 36 37  1  0  0  0  0
 35 36  1  0  0  0  0
 27 29  1  1  0  0  0
 39 40  1  6  0  0  0
 34 47  1  6  0  0  0
 30 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 48  1  1  0  0  0
 32 44  1  0  0  0  0
 32 49  1  6  0  0  0
 31 50  1  1  0  0  0
 44 51  1  0  0  0  0
 35 52  1  1  0  0  0
M  END
>  <Mol_ID> (17)
853

>  <Formula> (17)
C37H67NO13

>  <MolWeight> (17)
733.92678

>  <Cat> (17)
s1635

>  <Name> (17)
Erythromycin

>  <Synonyms> (17)
E-Mycin

>  <Target> (17)
Antifection

>  <Form> (17)
Free Base

>  <CAS> (17)
114-07-8

>  <URL> (17)
http://www.selleckchem.com/products/Erythromycin(E-Mycin).ht

$$$$
NATACYN (natamycin).cdx
csChFnd80/03272010092D

 50 53  0  0  0  0  0  0  0  0999 V2000
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    1.2124    2.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.4291    4.2098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4997    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9246    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3495    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5619    9.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1370    9.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246   10.5195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7121    9.8195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4997   10.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    9.8195    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0748   10.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    9.8195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2873    8.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458   10.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    9.8195    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4291    8.4146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6458    7.7122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8624    8.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2167   10.5195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7121   11.2195    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  6  0  0  0
  2  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  1 11  1  6  0  0  0
  6 12  1  6  0  0  0
  9 13  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  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
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 31 36  1  6  0  0  0
 33 37  1  6  0  0  0
 35 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 35  1  0  0  0  0
 35 43  1  6  0  0  0
 39 44  1  1  0  0  0
 40 45  1  6  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 41 48  1  0  0  0  0
 48 13  1  0  0  0  0
 41 49  1  6  0  0  0
 30 50  1  6  0  0  0
 50 31  1  0  0  0  0
M  END
>  <Mol_ID> (18)
988

>  <Formula> (18)
C33H47NO13

>  <MolWeight> (18)
665.72518

>  <Cat> (18)
S1517

>  <Name> (18)
Natamycin

>  <Synonyms> (18)
Pimaricin

>  <Target> (18)
Antifection

>  <Form> (18)
Free Base

>  <CAS> (18)
7681-93-8

>  <URL> (18)
http://www.selleckchem.com/products/Natamycin(Pimaricin).htm

$$$$
Nystatin (Fungicidin).cdx
csChFnd80/03272010092D

 67 69  0  0  0  0  0  0  0  0999 V2000
    2.4207    9.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    8.3879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7575   10.4879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.3948    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1823   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6072    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.8196    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.8196    9.7879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.6072   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6953    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1823    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3948    5.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.6072    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0279   10.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575   11.8830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3948   11.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8154    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   23.0279    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  6  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 21 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
  2 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 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  1  0  0  0  0
 44 24  1  0  0  0  0
 32 45  2  0  0  0  0
 45 33  1  0  0  0  0
  1 46  1  6  0  0  0
 29 47  1  6  0  0  0
 26 48  1  6  0  0  0
 28 49  1  1  0  0  0
 20 50  1  1  0  0  0
 22 51  1  1  0  0  0
 25 52  1  1  0  0  0
 52 53  2  0  0  0  0
 52 54  1  0  0  0  0
 43 55  1  1  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 61 56  1  0  0  0  0
 57 62  1  1  0  0  0
 58 63  1  1  0  0  0
 60 64  1  1  0  0  0
 59 65  1  6  0  0  0
 56 66  1  6  0  0  0
 24 67  1  1  0  0  0
M  END
>  <Mol_ID> (19)
989

>  <Formula> (19)
C47H75NO17

>  <MolWeight> (19)
926.0949

>  <Cat> (19)
S1934

>  <Name> (19)
Nystatin (Fungicidin)

>  <Synonyms> (19)
N/A

>  <Target> (19)
Others

>  <Form> (19)
Free Base

>  <CAS> (19)
1400-61-9

>  <URL> (19)
http://www.selleckchem.com/products/Nystatin(Mycostatin).htm

$$$$
Tylosin tartrate.cdx
csChFnd80/03272010092D

 76 78  0  0  0  0  0  0  0  0999 V2000
    7.2578   11.3182    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4702    9.2182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    9.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702   12.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    9.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    9.9182    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1075   11.3182    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3200   12.0182    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3200   13.4182    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1075   14.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9692    6.1051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (20)
1048

>  <Formula> (20)
C50H83NO23

>  <MolWeight> (20)
1066.18692

>  <Cat> (20)
S3162

>  <Name> (20)
Tylosin tartrate

>  <Synonyms> (20)
N/A 

>  <Target> (20)
Antifection

>  <Form> (20)
Tartrate

>  <CAS> (20)
74610-55-2

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

$$$$
Erythromycin ethylsuccinate.cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (21)
1179

>  <Formula> (21)
C43H75NO16

>  <MolWeight> (21)
862.0527

>  <Cat> (21)
S4060

>  <Name> (21)
Erythromycin Ethylsuccinate

>  <Synonyms> (21)
N/A

>  <Target> (21)
Antifection

>  <Form> (21)
Free Base

>  <CAS> (21)
1264-62-6

>  <URL> (21)
http://www.selleckchem.com/products/erythromycin-ethylsuccinate.html

$$$$
Roxithromycin.cdx
csChFnd80/03272010092D

 58 60  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (22)
1226

>  <Formula> (22)
C41H76N2O15

>  <MolWeight> (22)
837.04654

>  <Cat> (22)
S2506

>  <Name> (22)
Roxithromycin (Roxl-150)

>  <Synonyms> (22)
Roxl-150, Roxo, Surlid, Rulide, Biaxsig, Roxar, Roximycin, Roxomycin, Tirabicin, Coroxin

>  <Target> (22)
Antifection

>  <Form> (22)
Free Base

>  <CAS> (22)
80214-83-1

>  <URL> (22)
http://www.selleckchem.com/products/Roxithromycin(Roxl-150).html

$$$$
Tilmicosin.cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (23)
1336

>  <Formula> (23)
C46H80N2O13

>  <MolWeight> (23)
869.133

>  <Cat> (23)
S4122

>  <Name> (23)
Tilmicosin

>  <Synonyms> (23)
N/A

>  <Target> (23)
Antifection

>  <Form> (23)
Free Base

>  <CAS> (23)
108050-54-0

>  <URL> (23)
https://www.selleckchem.com/products/tilmicosin.html

$$$$
Azithromycin dihydrate.cdx
csChFnd80/03272010092D

 54 54  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (24)
1341

>  <Formula> (24)
C38H76N2O14

>  <MolWeight> (24)
785.01504

>  <Cat> (24)
S4147

>  <Name> (24)
Azithromycin Dihydrate

>  <Synonyms> (24)
N/A

>  <Target> (24)
Antifection

>  <Form> (24)
Free Base

>  <CAS> (24)
117772-70-0

>  <URL> (24)
http://www.selleckchem.com/products/azithromycin-dihydrate.html

$$$$
Cepharanthine.cdx
csChFnd80/03272010092D

 47 54  0  0  0  0  0  0  0  0999 V2000
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   12.4784    6.9951    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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  5  6  2  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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  1 20  1  0  0  0  0
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 31 26  1  0  0  0  0
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M  END
>  <Mol_ID> (25)
1386

>  <Formula> (25)
C37H38N2O6

>  <MolWeight> (25)
606.70742

>  <Cat> (25)
S4238

>  <Name> (25)
Cepharanthine

>  <Synonyms> (25)
N/A

>  <Target> (25)
TNF-alpha

>  <Form> (25)
Free Base

>  <CAS> (25)
481-49-2

>  <URL> (25)
http://www.selleckchem.com/products/cepharanthine.html

$$$$
dirithromycin.cdx
csChFnd80/03272010092D

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 13  8  1  6  0  0  0
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M  END
>  <Mol_ID> (26)
1388

>  <Formula> (26)
C42H78N2O14

>  <MolWeight> (26)
835.07372

>  <Cat> (26)
S4213

>  <Name> (26)
Dirithromycin

>  <Synonyms> (26)
N/A

>  <Target> (26)
Antifection

>  <Form> (26)
Free Base

>  <CAS> (26)
62013-04-1

>  <URL> (26)
http://www.selleckchem.com/products/dirithromycin.html

$$$$
fidaxomicin.cdx
csChFnd80/03272010092D

 74 77  0  0  0  0  0  0  0  0999 V2000
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M  CFW  12 B_NG_STER 2
M  END
>  <Mol_ID> (27)
1433

>  <Formula> (27)
C52H74Cl2O18

>  <MolWeight> (27)
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>  <Cat> (27)
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>  <Name> (27)
Fidaxomicin

>  <Synonyms> (27)
N/A

>  <Target> (27)
DNA/RNA Synthes

>  <Form> (27)
Free Base

>  <CAS> (27)
873857-62-6

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

$$$$
Rifampin.cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (28)
1477

>  <Formula> (28)
C43H58N4O12

>  <MolWeight> (28)
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>  <Cat> (28)
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>  <Name> (28)
Rifampin

>  <Synonyms> (28)
Rifampicin

>  <Target> (28)
DNA/RNA Synthesis

>  <Form> (28)
Free Base

>  <CAS> (28)
13292-46-1

>  <URL> (28)
http://www.selleckchem.com/products/Rifampin(Rifadin).html

$$$$
Rifapentine.cdx
csChFnd80/03272010092D

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M  CFW  18 B_NG_STER 2
M  END
>  <Mol_ID> (29)
1478

>  <Formula> (29)
C47H64N4O12

>  <MolWeight> (29)
877.03066

>  <Cat> (29)
S1760

>  <Name> (29)
Rifapentine

>  <Synonyms> (29)
Cyclopentylrifampicin

>  <Target> (29)
DNA/RNA Synthesis

>  <Form> (29)
Free Base

>  <CAS> (29)
61379-65-5

>  <URL> (29)
http://www.selleckchem.com/products/Rifapentine(Priftin).html

$$$$
Anidulafungin.cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (30)
1513

>  <Formula> (30)
C58H73N7O17

>  <MolWeight> (30)
1140.23692

>  <Cat> (30)
S4286

>  <Name> (30)
Anidulafungin (LY303366)

>  <Synonyms> (30)
N/A

>  <Target> (30)
Antifection

>  <Form> (30)
Free Base

>  <CAS> (30)
166663-25-8

>  <URL> (30)
http://www.selleckchem.com/products/anidulafungin-ly303366.html

$$$$
Daptomycin.cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (31)
1529

>  <Formula> (31)
C72H101N17O26

>  <MolWeight> (31)
1620.67064

>  <Cat> (31)
S1373

>  <Name> (31)
Daptomycin

>  <Synonyms> (31)
LY146032

>  <Target> (31)
Others

>  <Form> (31)
Free Base

>  <CAS> (31)
103060-53-3

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

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (32)
1535

>  <Formula> (32)
C44H69NO12

>  <MolWeight> (32)
804.01816

>  <Cat> (32)
S5003

>  <Name> (32)
Tacrolimus (FK506)

>  <Synonyms> (32)
FR900506

>  <Target> (32)
mTOR

>  <Form> (32)
Free Base

>  <CAS> (32)
104987-11-3

>  <URL> (32)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Temsirolimus.cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (33)
1538

>  <Formula> (33)
C56H87NO16

>  <MolWeight> (33)
1030.28708

>  <Cat> (33)
S1044

>  <Name> (33)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (33)
N/A

>  <Target> (33)
mTOR

>  <Form> (33)
Free Base

>  <CAS> (33)
162635-04-3

>  <URL> (33)
http://www.selleckchem.com/products/Temsirolimus.html

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/03272010092D

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>  <Mol_ID> (34)
1749

>  <Formula> (34)
C37H42Cl2N2O6

>  <MolWeight> (34)
681.64518

>  <Cat> (34)
S3609

>  <Name> (34)
Berbamine (dihydrochloride)

>  <Synonyms> (34)
N/A

>  <Target> (34)
NF-¦ÊB,bcr/abl

>  <Form> (34)
dihydrochloride

>  <CAS> (34)
6078-17-7

>  <URL> (34)
http://www.selleckchem.com/products/berbamine-dihydrochloride.html

$$$$
S3618 Acetylspiramycin.cdx
csChFnd80/03272010092D

 62 65  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (35)
1751

>  <Formula> (35)
C45H76N2O15

>  <MolWeight> (35)
885.08934

>  <Cat> (35)
S3618

>  <Name> (35)
Acetylspiramycin (ASPM)

>  <Synonyms> (35)
Spiramycin II, Foromacidin B

>  <Target> (35)
Others

>  <Form> (35)
free base

>  <CAS> (35)
24916-51-6

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

$$$$
S3606 Fangchinoline.cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (36)
1753

>  <Formula> (36)
C37H40N2O6

>  <MolWeight> (36)
608.7233

>  <Cat> (36)
S3606

>  <Name> (36)
Fangchinoline

>  <Synonyms> (36)
N/A

>  <Target> (36)
HIV-1

>  <Form> (36)
free base

>  <CAS> (36)
33889-68-8

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

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/03272010092D

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    8.4870   11.9000    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
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  6  1  1  0  0  0  0
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 10  2  1  0  0  0  0
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M  END
>  <Mol_ID> (37)
1769

>  <Formula> (37)
C37H40N2O6

>  <MolWeight> (37)
608.7233

>  <Cat> (37)
S3611

>  <Name> (37)
(+)-Fangchinoline

>  <Synonyms> (37)
(+)-Limacine, Tetrandrine B, Hanfangichin B

>  <Target> (37)
Others

>  <Form> (37)
free base

>  <CAS> (37)
436-77-1

>  <URL> (37)
http://www.selleckchem.com/products/s-s-fangchinoline.html

$$$$
S3645 Kitasamycin.cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (38)
1784

>  <Formula> (38)
C40H67NO14

>  <MolWeight> (38)
785.95828

>  <Cat> (38)
S3645

>  <Name> (38)
Kitasamycin

>  <Synonyms> (38)
leucomycin

>  <Target> (38)
Antifection

>  <Form> (38)
free base

>  <CAS> (38)
1392-21-8

>  <URL> (38)
http://www.selleckchem.com/products/kitasamycin.html

$$$$
S3713 Moxidectin.cdx
csChFnd80/03272010092D

 48 52  0  0  0  0  0  0  0  0999 V2000
    8.4539   10.0509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (39)
1801

>  <Formula> (39)
C37H53NO8

>  <MolWeight> (39)
639.81862

>  <Cat> (39)
S3713

>  <Name> (39)
Moxidectin

>  <Synonyms> (39)
milbemycin B

>  <Target> (39)
Antifection

>  <Form> (39)
free base

>  <CAS> (39)
113507-06-5

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

$$$$
S3728 Grazoprevir.cdx
csChFnd80/03272010092D

 54 60  0  0  0  0  0  0  0  0999 V2000
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    5.0211    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2293    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9175    8.1758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7826    5.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9908    5.7132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7826    3.6205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1990    5.0156    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4072    5.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6155    5.0156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8237    5.7132    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4072    7.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1990    3.6156    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4115    4.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4115    2.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4115    1.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0319    5.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4614    7.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5237    6.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7319    3.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4319    5.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.6031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    3.3031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    4.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    7.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.5983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   11.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.9983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   11.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   13.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   13.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   13.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   13.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827   13.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  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
  2  7  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  8 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  5 17  1  6  0  0  0
  3 18  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  2  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  6  0  0  0
 21 27  1  6  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 30  1  0  0  0  0
 24 31  2  0  0  0  0
 24 32  2  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 30  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 35  1  0  0  0  0
 36 11  1  6  0  0  0
 37 38  1  1  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 43  1  0  0  0  0
 44 17  1  0  0  0  0
 46 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 52 47  1  0  0  0  0
 50 53  1  0  0  0  0
 53 54  1  0  0  0  0
M  END
>  <Mol_ID> (40)
1805

>  <Formula> (40)
C38H50N6O9S

>  <MolWeight> (40)
766.9034

>  <Cat> (40)
S3728

>  <Name> (40)
Grazoprevir

>  <Synonyms> (40)
MK5172

>  <Target> (40)
Hepatitis C Virus NS3/4A Protease

>  <Form> (40)
free base

>  <CAS> (40)
1350514-68-9

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

$$$$
S3712 Tulathromycin A.cdx
csChFnd80/03272010092D

 58 60  0  0  0  0  0  0  0  0999 V2000
   11.7666    2.1999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1667    4.9999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.7332    8.4499    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7332    4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0832    4.6833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.9665    1.5166    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3500    2.1999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   14.1500    2.1999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   15.3832    1.5166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9666    2.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6333    6.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9665    0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5833    2.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667    8.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1500    7.1666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1833    8.1166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7333    4.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5999    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7333    6.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5833   10.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3832    0.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5833    2.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  1  1  0  0  0  0
 19  1  1  0  0  0  0
  1 54  1  1  0  0  0
  2  9  1  0  0  0  0
  6  2  1  0  0  0  0
  2 23  1  1  0  0  0
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 34  3  1  0  0  0  0
 10  3  1  0  0  0  0
  4  6  1  0  0  0  0
 11  4  1  0  0  0  0
 27  4  2  0  0  0  0
  5 20  1  0  0  0  0
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 37  5  1  0  0  0  0
 15  5  1  0  0  0  0
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 13  7  1  0  0  0  0
  7 31  1  1  0  0  0
  8 12  1  1  0  0  0
  9  8  1  0  0  0  0
 14  8  1  0  0  0  0
  9 41  1  6  0  0  0
 10 17  1  0  0  0  0
 10 35  1  6  0  0  0
 20 11  1  0  0  0  0
 13 26  1  6  0  0  0
 13 24  1  0  0  0  0
 29 14  1  0  0  0  0
 14 32  1  6  0  0  0
 14 42  1  1  0  0  0
 15 25  1  0  0  0  0
 15 36  1  1  0  0  0
 16 23  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 21 18  1  0  0  0  0
 28 19  1  0  0  0  0
 20 43  1  1  0  0  0
 21 44  1  1  0  0  0
 22 33  1  0  0  0  0
 25 22  1  0  0  0  0
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 46 26  1  0  0  0  0
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 40 29  1  0  0  0  0
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 39 34  1  0  0  0  0
 50 35  1  0  0  0  0
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 53 43  1  0  0  0  0
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  3 55  1  6  0  0  0
 10 56  1  0  0  0  0
 52 57  1  0  0  0  0
 16 58  1  1  0  0  0
M  END
>  <Mol_ID> (41)
1852

>  <Formula> (41)
C41H79N3O12

>  <MolWeight> (41)
806.07886

>  <Cat> (41)
S3712

>  <Name> (41)
Tulathromycin A

>  <Synonyms> (41)
N/A

>  <Target> (41)
Antifection

>  <Form> (41)
free base

>  <CAS> (41)
217500-96-4

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

$$$$
S4760 (2-Hydroxypropyl)-¦Â-cyclodextrin (HP-¦Â-CD.cdx
csChFnd80/03272010092D

105112  0  0  0  0  0  0  0  0999 V2000
   11.8637    7.0777    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8637    8.3643    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6448    6.4566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9136    6.3211    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1731    8.9513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7462    9.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4482    6.9421    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.1552    6.9080    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8795    4.9892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3266    2.6865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2966    6.2533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.3064    6.2307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6002    8.9513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3087    1.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0597    8.9172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0551    6.7503    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.8031   10.3510    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8550    1.6030    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9195    8.1049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.8811    5.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7534   11.0846    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1013   10.7910    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.3064    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3743    2.6865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6101    8.7254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2330    5.7342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9455   12.4729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4665   10.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3946   12.1797    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1285    9.9559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3732   10.1589    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9733    4.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2549   13.0375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.0267    8.4548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5915   12.6762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3666   11.1861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0300   10.4525    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7883    3.3412    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.4466   14.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (42)
1870

>  <Formula> (42)
C63H112O42

>  <MolWeight> (42)
1541.53818

>  <Cat> (42)
S4760

>  <Name> (42)
(2-Hydroxypropyl)-¦Â-cyclodextrin (HP-¦Â-CD)

>  <Synonyms> (42)
HP-¦Â-cyclodextrin

>  <Target> (42)
amyloid-¦Â aggregation

>  <Form> (42)
free base

>  <CAS> (42)
128446-35-5

>  <URL> (42)
http://www.selleckchem.com/products/2-hydroxypropyl-beta-cyclodextrin-hp-beta-cd.html

$$$$
S3814 Tubeimoside I.cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (43)
1892

>  <Formula> (43)
C63H98O29

>  <MolWeight> (43)
1319.43482

>  <Cat> (43)
S3814

>  <Name> (43)
Tubeimoside I

>  <Synonyms> (43)
Lobatoside H

>  <Target> (43)
Others

>  <Form> (43)
free base

>  <CAS> (43)
102040-03-9

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

$$$$
S3812 Monocrotaline.cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (44)
1956

>  <Formula> (44)
C16H23NO6

>  <MolWeight> (44)
325.35692

>  <Cat> (44)
S3812

>  <Name> (44)
Monocrotaline

>  <Synonyms> (44)
Crotaline

>  <Target> (44)
Others

>  <Form> (44)
free base

>  <CAS> (44)
315-22-0

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

$$$$
Plerixafor 8HCl.cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (45)
2007

>  <Formula> (45)
C28H62Cl8N8

>  <MolWeight> (45)
794.46948

>  <Cat> (45)
S3013

>  <Name> (45)
Plerixafor 8HCl (DB06809)

>  <Synonyms> (45)
AMD3100 

>  <Target> (45)
CXCR

>  <Form> (45)
Octahydrochloride 

>  <CAS> (45)
155148-31-5

>  <URL> (45)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

$$$$
S4927 Cyclen.cdx
csChFnd80/03272010092D

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 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (46)
2169

>  <Formula> (46)
C8H20N4

>  <MolWeight> (46)
172.2712

>  <Cat> (46)
S4927

>  <Name> (46)
Cyclen

>  <Synonyms> (46)
1,4,7,10-tetraazacyclododecane

>  <Target> (46)
Others

>  <Form> (46)
free base

>  <CAS> (46)
294-90-6

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

$$$$
S5015 Simeprevir.cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (47)
2172

>  <Formula> (47)
C38H47N5O7S2

>  <MolWeight> (47)
749.93908

>  <Cat> (47)
S5015

>  <Name> (47)
TMC-435, TMC-435350

>  <Synonyms> (47)
TMC-435, TMC-435350

>  <Target> (47)
HCV NS3/4A protease

>  <Form> (47)
free base

>  <CAS> (47)
923604-59-5

>  <URL> (47)
http://www.selleckchem.com/products/simeprevir.html

$$$$
S4978 Azathramycin.cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (48)
2174

>  <Formula> (48)
C37H70N2O12

>  <MolWeight> (48)
734.9579

>  <Cat> (48)
S4978

>  <Name> (48)
Azathramycin

>  <Synonyms> (48)
Azaerythromycin A, Azaerythromycin

>  <Target> (48)
Anti-infection

>  <CAS> (48)
76801-85-9

>  <URL> (48)
http://selleckchem.com/products/azathramycin.html

$$$$
S4994 Methylcobalamin.cdx
csChFnd80/03272010092D

 93100  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (49)
2191

>  <Formula> (49)
C63H91CoN13O14P

>  <MolWeight> (49)
1344.382301

>  <Cat> (49)
S4994

>  <Name> (49)
Methylcobalamin

>  <Synonyms> (49)
Mecobalamin, Vancomin, Methycobal, Cobametin

>  <Target> (49)
Vitamin

>  <Form> (49)
inner salt

>  <CAS> (49)
13422-55-4

>  <URL> (49)
http://selleckchem.com/products/methylcobalamin.html

$$$$
S4848 Dalbavancin.cdx
csChFnd80/03272010092D

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  1  4  1  6  0  0  0
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M  END
>  <Mol_ID> (50)
2194

>  <Formula> (50)
C88H100Cl2N10O28

>  <MolWeight> (50)
1816.6918

>  <Cat> (50)
S4848

>  <Name> (50)
Dalbavancin

>  <Synonyms> (50)
zeven

>  <Target> (50)
Anti-infection

>  <Form> (50)
free base

>  <CAS> (50)
171500-79-1

>  <URL> (50)
http://selleckchem.com/products/dalbavancin.html

$$$$
S4852 Gadopentetate Dimeglumine.cdx
csChFnd80/03272010092D

 54 53  0  0  0  0  0  0  0  0999 V2000
   16.1687    6.3350    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 42 43  1  0  0  0  0
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 50 53  1  0  0  0  0
 52 54  1  0  0  0  0
M  END
>  <Mol_ID> (51)
2195

>  <Formula> (51)
C28H54GdN5O20

>  <MolWeight> (51)
937.99986

>  <Cat> (51)
S4852

>  <Name> (51)
Gadopentetate Dimeglumine

>  <Synonyms> (51)
Gadopentetic acid dimeglumine, Gd-DTPA, Meglumine gadopentetate

>  <Target> (51)
Others

>  <Form> (51)
dimeglumine salt

>  <CAS> (51)
86050-77-3

>  <URL> (51)
http://selleckchem.com/products/gadopentetate-dimeglumine.html

$$$$
spiramycin.cdx
csChFnd80/03272010092D

 59 62  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (52)
2286

>  <Formula> (52)
C43H74N2O14

>  <MolWeight> (52)
843.05266

>  <Cat> (52)
S4082

>  <Name> (52)
spiramycin

>  <Synonyms> (52)
Formacidine

>  <Target> (52)
Anti-infection

>  <CAS> (52)
8025-81-8

>  <URL> (52)
http://selleckchem.com/products/spiramycin.html

$$$$
Vancomycin hydrochloride.cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (53)
2317

>  <Formula> (53)
C66H76Cl3N9O24

>  <MolWeight> (53)
1485.71454

>  <Cat> (53)
S2575

>  <Name> (53)
Vancomycin HCl (Vancocin)

>  <Synonyms> (53)
N/A

>  <Target> (53)
Antifection

>  <Form> (53)
HCl

>  <CAS> (53)
1404-93-9 

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

$$$$
Plerixafor.cdx
csChFnd80/03272010092D

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M  END
>  <Mol_ID> (54)
2340

>  <Formula> (54)
C28H54N8

>  <MolWeight> (54)
502.78196

>  <Cat> (54)
S8030

>  <Name> (54)
Plerixafor

>  <Synonyms> (54)
N/A

>  <Target> (54)
CXCR

>  <Form> (54)
Free Base

>  <CAS> (54)
110078-46-1

>  <URL> (54)
http://www.selleckchem.com/products/plerixafor.html

$$$$

csChFnd80/03272010092D

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M  END
>  <Mol_ID> (55)
2480

>  <Formula> (55)
C25H46N14O11S

>  <MolWeight> (55)
750.78494

>  <Cat> (55)
S4234

>  <Name> (55)
Capreomycin Sulfate

>  <Synonyms> (55)
N/A

>  <Target> (55)
Antifection

>  <Form> (55)
Sulfate

>  <CAS> (55)
1405-37-4

>  <URL> (55)
http://www.selleckchem.com/products/capreomycin-sulfate.html

$$$$
Colistin sulfate.cdx
csChFnd80/03272010092D

187182  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (56)
2489

>  <Formula> (56)
C104H206N32O46S5

>  <MolWeight> (56)
2801.26024

>  <Cat> (56)
S4029

>  <Name> (56)
Colistin Sulfate

>  <Synonyms> (56)
N/A

>  <Target> (56)
Antifection

>  <Form> (56)
Sulfate

>  <CAS> (56)
1264-72-8

>  <URL> (56)
http://www.selleckchem.com/products/colistin-sulfate.html

$$$$
LM-3632.cdx
csChFnd80/03272010092D

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>  <Mol_ID> (57)
2501

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C31H45F6N9O12

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Cyclo(RGDyK)

>  <Synonyms> (57)
N/A

>  <Target> (57)
Integrin

>  <Form> (57)
ditrifluoroacetic acid

>  <CAS> (57)
250612-42-1

>  <URL> (57)
http://www.selleckchem.com/products/cyclo-rgdyk.html

$$$$
BQ-123.cdx
csChFnd80/03272010102D

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>  <Mol_ID> (58)
2524

>  <Formula> (58)
C31H42N6O7

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610.70118

>  <Cat> (58)
S7883

>  <Name> (58)
BQ-123

>  <Synonyms> (58)
N/A

>  <Target> (58)
Endothelin Receptor

>  <Form> (58)
Free Base

>  <CAS> (58)
136553-81-6

>  <URL> (58)
http://www.selleckchem.com/products/bq-123.html

$$$$
brefeldin A.cdx
csChFnd80/03272010102D

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>  <Mol_ID> (59)
2623

>  <Formula> (59)
C16H24O4

>  <MolWeight> (59)
280.35936

>  <Cat> (59)
S7046

>  <Name> (59)
Brefeldin A 

>  <Synonyms> (59)
BFA

>  <Target> (59)
ATPase

>  <Form> (59)
Free Base

>  <CAS> (59)
20350-15-6

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

$$$$
Pacritinib (SB1518).cdx
csChFnd80/03272010102D

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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  9 13  1  0  0  0  0
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  4 27  1  0  0  0  0
 23 27  1  0  0  0  0
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 29 30  1  0  0  0  0
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 35 31  1  0  0  0  0
M  END
>  <Mol_ID> (60)
2731

>  <Formula> (60)
C28H32N4O3

>  <MolWeight> (60)
472.57868

>  <Cat> (60)
S8057

>  <Name> (60)
Pacritinib (SB1518)

>  <Synonyms> (60)
N/A

>  <Target> (60)
JAK

>  <Form> (60)
Free Base

>  <CAS> (60)
937272-79-2

>  <URL> (60)
http://www.selleckchem.com/products/pacritinib-sb1518.html

$$$$
Ascomycin (FK 520, FR 900520, Immunomycin).cdx
csChFnd80/03272010102D

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (61)
2810

>  <Formula> (61)
C43H69NO12

>  <MolWeight> (61)
792.00746

>  <Cat> (61)
S7411

>  <Name> (61)
Ascomycin (FK520)

>  <Synonyms> (61)
FR 900520, Immunomycin

>  <Target> (61)
Antifection

>  <Form> (61)
Free Base

>  <CAS> (61)
104987-12-4

>  <URL> (61)
http://www.selleckchem.com/products/ascomycin-fk520.html

$$$$
Micafungin sodium.cdx
csChFnd80/03272010102D

 90 96  0  0  0  0  0  0  0  0999 V2000
   12.4766   14.7081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   15.8310   12.1797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6475   16.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (62)
2869

>  <Formula> (62)
C56H70N9NaO23S

>  <MolWeight> (62)
1292.25627

>  <Cat> (62)
S4287

>  <Name> (62)
Micafungin Sodium

>  <Synonyms> (62)
FK463 Sodium

>  <Target> (62)
Antifection

>  <Form> (62)
Sodium Salt

>  <CAS> (62)
208538-73-2

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

$$$$
Zotarolimus.cdx
csChFnd80/03272010102D

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M  END
>  <Mol_ID> (63)
2870

>  <Formula> (63)
C52H79N5O12

>  <MolWeight> (63)
966.20996

>  <Cat> (63)
S7091

>  <Name> (63)
Zotarolimus (ABT-578)

>  <Synonyms> (63)
N/A

>  <Target> (63)
mTOR

>  <Form> (63)
Free Base

>  <CAS> (63)
221877-54-9

>  <URL> (63)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

$$$$
Caspofungin acetate.cdx
csChFnd80/03272010102D

 90 91  0  0  0  0  0  0  0  0999 V2000
    1.2082   14.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (64)
2883

>  <Formula> (64)
C56H96N10O19

>  <MolWeight> (64)
1213.41704

>  <Cat> (64)
S3073

>  <Name> (64)
Caspofungin Acetate

>  <Synonyms> (64)
N/A

>  <Target> (64)
Antifection

>  <Form> (64)
diacetate

>  <CAS> (64)
179463-17-3

>  <URL> (64)
http://www.selleckchem.com/products/caspofungin-acetate.html

$$$$
Teicoplanin.cdx
csChFnd80/03272010102D

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A   35
R
A  185
?R:?
M  END
>  <Mol_ID> (65)
2885

>  <Formula> (65)
C135H190Cl2N9O37R2

>  <MolWeight> (65)
2601.8972

>  <Cat> (65)
S1399

>  <Name> (65)
Teicoplanin

>  <Synonyms> (65)
Teichomycin

>  <Target> (65)
Antifection

>  <Form> (65)
Free Base

>  <CAS> (65)
61036-62-2

>  <URL> (65)
http://www.selleckchem.com/products/Teicoplanin.html

$$$$
Erythromycin cyclocarbonate.cdx
csChFnd80/03272010102D

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Erythromycin Cyclocarbonate

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Antifection

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Free Base

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55224-05-0

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http://www.selleckchem.com/products/erythromycin-cyclocarbonate.html

$$$$
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N/A

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ALK

>  <Form> (67)
Free Base

>  <CAS> (67)
1454846-35-5

>  <URL> (67)
http://www.selleckchem.com/products/pf-06463922.html

$$$$
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>  <Mol_ID> (68)
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>  <Formula> (68)
C40H41F6N3O5S

>  <MolWeight> (68)
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>  <Cat> (68)
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>  <Name> (68)
Lomitapide Mesylate

>  <Synonyms> (68)
N/A

>  <Target> (68)
Others

>  <Form> (68)
Mesylate

>  <CAS> (68)
202914-84-9

>  <URL> (68)
http://www.selleckchem.com/products/lomitapide-mesylate.html

$$$$
Cilengitide (EMD 121974).cdx
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M  END
>  <Mol_ID> (69)
3067

>  <Formula> (69)
C29H41F3N8O9

>  <MolWeight> (69)
702.6792496

>  <Cat> (69)
S7077

>  <Name> (69)
Cilengitide trifluoroacetate

>  <Synonyms> (69)
EMD 121974, NSC 707544

>  <Target> (69)
Integrin

>  <Form> (69)
Trifluoroacetat

>  <CAS> (69)
188968-51-6

>  <URL> (69)
http://www.selleckchem.com/products/cilengitide-emd-121974-nsc-707544.html

$$$$
S4592 SBE-¦Â-CD.cdx
csChFnd80/03272010102D

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A   96
n
M  END
>  <Mol_ID> (70)
3217

>  <Formula> (70)
C50H82Na2O41RS2

>  <MolWeight> (70)
1449.27102

>  <Cat> (70)
S4592

>  <Name> (70)
Captisol (SBE-¦Â-CD)

>  <Synonyms> (70)
Sulfobutylether-¦Â-Cyclodextrin

>  <Target> (70)
Others

>  <Form> (70)
Free Base

>  <CAS> (70)
182410-00-0

>  <URL> (70)
http://www.selleckchem.com/products/sbe-b-cd.html

$$$$
Polymyxin B sulphate.cdx
csChFnd80/03272010102D

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M  END
>  <Mol_ID> (71)
3244

>  <Formula> (71)
C56H100N16O17S

>  <MolWeight> (71)
1301.5552

>  <Cat> (71)
S1395

>  <Name> (71)
Polymyxin B sulphate

>  <Synonyms> (71)
Aerosporin, PMB, Poly-RX

>  <Target> (71)
Antifection

>  <Form> (71)
sulfate

>  <CAS> (71)
1405-20-5, 4135-11-9 (free base)

>  <URL> (71)
http://www.selleckchem.com/products/Polymyxin-B-sulphate.html

$$$$
AMD3465.cdx
csChFnd80/03272010102D

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M  END
>  <Mol_ID> (72)
3380

>  <Formula> (72)
C24H44Br6N6

>  <MolWeight> (72)
896.07036

>  <Cat> (72)
S2879

>  <Name> (72)
AMD3465 hexahydrobromide

>  <Synonyms> (72)
N/A

>  <Target> (72)
CXCR

>  <Form> (72)
HBr

>  <CAS> (72)
185991-07-5, 185991-24-6 (free base)

>  <URL> (72)
http://www.selleckchem.com/products/amd3465.html

$$$$
AUNP-12.cdx
csChFnd80/03272010102D

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>  <Mol_ID> (73)
3439

>  <Formula> (73)
C142H226N40O48

>  <MolWeight> (73)
3261.55304

>  <Cat> (73)
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AUNP-12

>  <Synonyms> (73)
Aur-012, Aurigene-012, Aurigene NP-12

>  <Target> (73)
PD-1

>  <CAS> (73)
1353563-85-5

>  <URL> (73)
http://www.selleckchem.com/products/aunp-12.html

$$$$
TPX-0005.cdx
csChFnd80/03272010102D

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M  END
>  <Mol_ID> (74)
3451

>  <Formula> (74)
C18H18FN5O2

>  <MolWeight> (74)
355.3662232

>  <Cat> (74)
S8583

>  <Name> (74)
TPX-0005

>  <Synonyms> (74)
N/A

>  <Target> (74)
 ALK,ALK(L1196M),ALK(G1202R),Src 

>  <Form> (74)
free base

>  <CAS> (74)
no

>  <URL> (74)
http://www.selleckchem.com/products/tpx-0005.html

$$$$
S5108 Tylosin.cdx
csChFnd80/03272010102D

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M  END
>  <Mol_ID> (75)
3543

>  <Formula> (75)
C46H77NO17

>  <MolWeight> (75)
916.10008

>  <Cat> (75)
S5108

>  <Name> (75)
Tylosin

>  <Synonyms> (75)
Fradizine, Tylocine, Tylosine, Tylosin A

>  <Target> (75)
Antifection

>  <Form> (75)
free base

>  <CAS> (75)
1401-69-0

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

$$$$
S5145 Protoporphyrin IX.cdx
csChFnd80/03272010102D

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M  END
>  <Mol_ID> (76)
3549

>  <Formula> (76)
C34H34N4O4

>  <MolWeight> (76)
562.65816

>  <Cat> (76)
S5145

>  <Name> (76)
Protoporphyrin IX

>  <Synonyms> (76)
PPIX

>  <Target> (76)
Others

>  <Form> (76)
free base

>  <CAS> (76)
553-12-8

>  <URL> (76)
http://www.selleckchem.com/products/protoporphyrin-ix.html

$$$$
S5117 Doramectin.cdx
csChFnd80/03272010102D

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M  END
>  <Mol_ID> (77)
3585

>  <Formula> (77)
C50H74O14

>  <MolWeight> (77)
899.11416

>  <Cat> (77)
S5117

>  <Name> (77)
Doramectin

>  <Synonyms> (77)
Cyclohexylavermectin B1, Dectomax

>  <Target> (77)
Others

>  <Form> (77)
free base

>  <CAS> (77)
117704-25-3

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

$$$$
GO-203.cdx
csChFnd80/03272010102D

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M  END
>  <Mol_ID> (78)
3599

>  <Formula> (78)
C89H171F3N52O21S2

>  <MolWeight> (78)
2426.7710496

>  <Cat> (78)
S8674

>  <Name> (78)
GO-203

>  <Synonyms> (78)
N/A

>  <Target> (78)
MUC-1C

>  <Form> (78)
trifluoroacetate

>  <CAS> (78)
1222186-26-6

>  <URL> (78)
http://www.selleckchem.com/products/go-203.html

$$$$
S5201 Acetylisovaleryltylosin Tartrate.cdx
csChFnd80/03272010102D

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M  END
>  <Mol_ID> (79)
3635

>  <Formula> (79)
C57H93NO25

>  <MolWeight> (79)
1192.34002

>  <Cat> (79)
S5201

>  <Name> (79)
Acetylisovaleryltylosin Tartrate

>  <Synonyms> (79)
AK105039

>  <Target> (79)
Anti-infection

>  <Form> (79)
tartrate

>  <CAS> (79)
63428-13-7

>  <URL> (79)
http://selleckchem.com/products/acetylisovaleryltylosin-tartrate.html

$$$$
S5404 Paritaprevir(ABT-450).cdx
csChFnd80/03272010102D

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>  <Mol_ID> (80)
3719

>  <Formula> (80)
C40H43N7O7S

>  <MolWeight> (80)
765.87712

>  <Cat> (80)
S5404

>  <Name> (80)
Paritaprevir(ABT-450)

>  <Synonyms> (80)
N/A

>  <Target> (80)
HCV Protease

>  <Form> (80)
free base

>  <CAS> (80)
1216941-48-8

>  <URL> (80)
http://selleckchem.com/products/paritaprevir-abt-450.html

$$$$
S4999 Avermectin B1.cdx
csChFnd80/03272010102D

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M  END
>  <Mol_ID> (81)
3732

>  <Formula> (81)
C48H72O14

>  <MolWeight> (81)
873.07688

>  <Cat> (81)
S4999

>  <Name> (81)
Avermectin B1

>  <Synonyms> (81)
abamectin

>  <Target> (81)
Anti-infection

>  <CAS> (81)
71751-41-2

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

$$$$
S5227 Erythromycin thiocyanate.cdx
csChFnd80/03272010102D

 56 57  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (82)
3738

>  <Formula> (82)
C38H68N2O13S

>  <MolWeight> (82)
793.01712

>  <Cat> (82)
S5227

>  <Name> (82)
Erythromycin thiocyanate

>  <Synonyms> (82)
N/A

>  <Target> (82)
Anti-infection

>  <Form> (82)
thiocyanate 

>  <CAS> (82)
7704-67-8

>  <URL> (82)
http://selleckchem.com/products/erythromycin-thiocyanate.html

$$$$
S5268 Solithromycin.cdx
csChFnd80/03272010102D

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M  END
>  <Mol_ID> (83)
3769

>  <Formula> (83)
C43H65FN6O10

>  <MolWeight> (83)
845.0088032

>  <Cat> (83)
S5268

>  <Name> (83)
Solithromycin

>  <Synonyms> (83)
CEM-101, OP-1068

>  <Target> (83)
Anti-infection

>  <Form> (83)
free base

>  <CAS> (83)
760981-83-7

>  <URL> (83)
http://selleckchem.com/products/solithromycin.html

$$$$
S5573 Tilmicosin phosphate.cdx
csChFnd80/03272010102D

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>  <Mol_ID> (84)
3992

>  <Formula> (84)
C46H83N2O17P

>  <MolWeight> (84)
967.128181

>  <Cat> (84)
S5573

>  <Name> (84)
Tilmicosin phosphate

>  <Synonyms> (84)
N/A

>  <Target> (84)
Anti-infection

>  <Form> (84)
phosphate 

>  <CAS> (84)
137330-13-3

>  <URL> (84)
http://selleckchem.com/products/tilmicosin-phosphate.html

$$$$
S5247 Selamectin.cdx
csChFnd80/03272010102D

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M  END
>  <Mol_ID> (85)
4038

>  <Formula> (85)
C43H63NO11

>  <MolWeight> (85)
769.96042

>  <Cat> (85)
S5247

>  <Name> (85)
Selamectin

>  <Synonyms> (85)
N/A

>  <Target> (85)
others

>  <Form> (85)
free base

>  <CAS> (85)
 220119-17-5

>  <URL> (85)
http://selleckchem.com/products/.html

$$$$
S5560 Midecamycin.cdx
csChFnd80/03272010102D

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M  END
>  <Mol_ID> (86)
4082

>  <Formula> (86)
C41H67NO15

>  <MolWeight> (86)
813.96838

>  <Cat> (86)
S5560

>  <Name> (86)
Midecamycin

>  <Form> (86)
free base

>  <CAS> (86)
35457-80-8

$$$$

csChFnd80/03272010102D

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M  END
>  <Mol_ID> (87)
4097

>  <Formula> (87)
C45H70N12O14S2

>  <MolWeight> (87)
1067.2393

>  <Cat> (87)
P1029

>  <Name> (87)
Oxytocin (Syntocinon)

>  <Form> (87)
Free Base

>  <CAS> (87)
50-56-6

>  <URL> (87)
http://www.selleckchem.com/peptide/Oxytocin-Acetate(Syntocinon).html

$$$$

csChFnd80/03272010102D

 73 76  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (88)
4101

>  <Formula> (88)
C46H65N13O12S2

>  <MolWeight> (88)
1056.2182

>  <Cat> (88)
P1015

>  <Name> (88)
Lypressin Acetate

>  <Form> (88)
Acetate

>  <CAS> (88)
50-57-7

>  <URL> (88)
http://www.selleckchem.com/peptide/lypressin-acetate.html

$$$$

csChFnd80/03272010102D

 68 70  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (89)
4102

>  <Formula> (89)
C43H67N11O12S2

>  <MolWeight> (89)
994.18858

>  <Cat> (89)
P1025

>  <Name> (89)
Atosiban Acetate

>  <Form> (89)
Acetate

>  <CAS> (89)
90779-69-4

>  <URL> (89)
http://www.selleckchem.com/peptide/atosiban-acetate.html

$$$$

csChFnd80/03272010102D

 85 88  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (90)
4109

>  <Formula> (90)
C52H74N16O15S2

>  <MolWeight> (90)
1227.37216

>  <Cat> (90)
P1034

>  <Name> (90)
Terlipressin Acetate

>  <Target> (90)
5-alpha Reductase

>  <CAS> (90)
14636-12-5

>  <URL> (90)
http://selleckchem.com/products/terlipressin-acetate.html

$$$$
S9141 Berbamine.cdx
csChFnd80/03272010102D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (91)
4395

>  <Formula> (91)
C37H40N2O6

>  <MolWeight> (91)
608.7233

>  <Cat> (91)
S9141

>  <Name> (91)
Berbamine

>  <Form> (91)
free base

>  <CAS> (91)
478-61-5

$$$$
S9200 Pneumocandin B0.cdx
csChFnd80/03272010102D

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M  END
>  <Mol_ID> (92)
4441

>  <Formula> (92)
C50H80N8O17

>  <MolWeight> (92)
1065.2136

>  <Cat> (92)
S9200

>  <Name> (92)
Pneumocandin B0

>  <Form> (92)
free base

>  <CAS> (92)
135575-42-7

$$$$

csChFnd80/03272010102D

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 23 22  1  0  0  0  0
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M  END
>  <Mol_ID> (93)
4503

>  <Formula> (93)
C31H38O7

>  <MolWeight> (93)
522.62922

>  <Cat> (93)
S9279

>  <Name> (93)
Euphorbia factor L3

>  <Form> (93)
free base

>  <CAS> (93)
218916-52-0

$$$$
P1017 Octreotide Acetate.cdx
csChFnd80/03272010102D

 71 75  0  0  0  0  0  0  0  0999 V2000
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   12.1964    2.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (94)
4542

>  <Formula> (94)
C49H66N10O10S2

>  <MolWeight> (94)
1019.23934

>  <Cat> (94)
P1017

>  <Name> (94)
Octreotide Acetate

>  <Form> (94)
Acetate

>  <CAS> (94)
79517-01-4

$$$$
S5532 Erythromycin estolate.cdx
csChFnd80/03272010102D

 72 73  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (95)
4559

>  <Formula> (95)
C52H97NO18S

>  <MolWeight> (95)
1056.38748

>  <Cat> (95)
S5532

>  <Name> (95)
Erythromycin estolate

>  <Target> (95)
ABCB11

>  <Form> (95)
free base

>  <CAS> (95)
3521-62-8

>  <URL> (95)
http://selleckchem.com/products/.html

$$$$
S5054 Rifamycin sodium salt.cdx
csChFnd80/03272010102D

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M  END
>  <Mol_ID> (96)
4568

>  <Formula> (96)
C37H46NNaO12

>  <MolWeight> (96)
719.75041

>  <Cat> (96)
S5054

>  <Name> (96)
Rifamycin sodium salt

>  <Target> (96)
Others

>  <CAS> (96)
14897-39-3

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

$$$$

csChFnd80/03272010102D

118127  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (97)
4734

>  <Formula> (97)
C72H85N19O18S5

>  <MolWeight> (97)
1664.8868

>  <Cat> (97)
S4354

>  <Name> (97)
Thiostrepton

>  <Synonyms> (97)
Alaninamide, Bryamycin, Thiactin

>  <Target> (97)
Others

>  <Form> (97)
Free Base

>  <CAS> (97)
1393-48-2

>  <URL> (97)
http://www.selleckchem.com/products/thiostrepton.html

$$$$

csChFnd80/03272010102D

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M  END
>  <Mol_ID> (98)
4761

>  <Formula> (98)
C40H76N2O12

>  <MolWeight> (98)
777.03764

>  <Cat> (98)
S5328

>  <Name> (98)
Gamithromycin

>  <Synonyms> (98)
ML-1709460

>  <Target> (98)
Anti-infection

>  <Form> (98)
Free Base

>  <CAS> (98)
145435-72-9

>  <URL> (98)
http://www.selleckchem.com/products/gamithromycin.html

$$$$

csChFnd80/03272010102D

 60 66  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (99)
4799

>  <Formula> (99)
C38H46F4N6O9S

>  <MolWeight> (99)
838.8652528

>  <Cat> (99)
S5720

>  <Name> (99)
Glecaprevir

>  <Synonyms> (99)
N/A

>  <Target> (99)
HCV Protease

>  <Form> (99)
Free Base

>  <CAS> (99)
1365970-03-1

>  <URL> (99)
http://www.selleckchem.com/products/glecaprevir.html

$$$$

csChFnd80/03272010102D

 62 65  0  0  0  0  0  0  0  0999 V2000
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 27 19  1  0  0  0  0
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 34 62  1  6  0  0  0
M  END
>  <Mol_ID> (100)
4813

>  <Formula> (100)
C43H74N2O14

>  <MolWeight> (100)
843.05266

>  <Cat> (100)
S5744

>  <Name> (100)
Spiramycin I

>  <Synonyms> (100)
foromacidin A

>  <Target> (100)
Anti-infection

>  <Form> (100)
Free Base

>  <CAS> (100)
24916-50-5

>  <URL> (100)
http://www.selleckchem.com/products/spiramycin-i.html

$$$$

csChFnd80/03272010102D

101103  0  0  0  0  0  0  0  0999 V2000
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   20.6045    2.2246    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   27.8833    3.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   28.1279    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4849    0.3636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.5585    1.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0251   15.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2418   16.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4584   15.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6709   16.2786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6666   12.0762    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.8791   11.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6666   13.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0915   12.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8557    5.1494    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
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  6  7  1  0  0  0  0
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  7  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 98100  1  0  0  0  0
M  END
>  <Mol_ID> (101)
5281

>  <Formula> (101)
C66H101N17O16SZn

>  <MolWeight> (101)
1486.06744

>  <Cat> (101)
S1791

>  <Name> (101)
Bacitracin Zinc

>  <Synonyms> (101)
N/A

>  <Target> (101)
Anti-infection

>  <Form> (101)
Free Base

>  <CAS> (101)
1405-89-6

>  <URL> (101)
http://www.selleck.cn/products/bacitracin-zinc.html

$$$$

csChFnd80/03272010102D

 46 52  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 33 44  1  0  0  0  0
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 46 34  1  0  0  0  0
 46  4  1  0  0  0  0
M  END
>  <Mol_ID> (102)
5300

>  <Formula> (102)
C38H42N2O6

>  <MolWeight> (102)
622.74988

>  <Cat> (102)
S2403

>  <Name> (102)
Tetrandrine

>  <Synonyms> (102)
Fanchinine

>  <Target> (102)
Calcium Channel

>  <Form> (102)
Free Base

>  <CAS> (102)
518-34-3

>  <URL> (102)
http://www.selleck.cn/products/Tetrandrine-Fanchinine.html

$$$$

csChFnd80/03272010102D

 52 55  0  0  0  0  0  0  0  0999 V2000
   13.9311    4.0459    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.1436    3.3459    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.5732    3.3499    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (103)
5357

>  <Formula> (103)
C41H71N3O8

>  <MolWeight> (103)
734.01774

>  <Cat> (103)
S6423

>  <Name> (103)
Tildipirosin

>  <Synonyms> (103)
N/A

>  <Target> (103)
Anti-infection

>  <Form> (103)
Free Base

>  <CAS> (103)
328898-40-4

>  <URL> (103)
http://www.selleck.cn/products/tildipirosin.html

$$$$

csChFnd80/03272010102D

 48 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (104)
5376

>  <Formula> (104)
C34H31CuN4Na3O6

>  <MolWeight> (104)
724.14845

>  <Cat> (104)
S6445

>  <Name> (104)
Chlorophyllin (sodium copper salt)

>  <Synonyms> (104)
N/A

>  <Target> (104)
Others

>  <Form> (104)
sodium copper salt

>  <CAS> (104)
11006-34-1

>  <URL> (104)
http://www.selleck.cn/products/chlorophyllin.html

$$$$

csChFnd80/03272010102D

136136  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (105)
5389

>  <Formula> (105)
C72H104Na8O48S8

>  <MolWeight> (105)
2178.00552

>  <Cat> (105)
S6460

>  <Name> (105)
Sugammadex (sodium)

>  <Synonyms> (105)
ORG-25969

>  <Target> (105)
Others

>  <Form> (105)
sodium

>  <CAS> (105)
343306-79-6

>  <URL> (105)
http://www.selleck.cn/products/sugammadex.html

$$$$

csChFnd80/03272010102D

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M  END
>  <Mol_ID> (106)
6780

>  <Formula> (106)
C42H69NO15

>  <MolWeight> (106)
827.99496

>  <Cat> (106)
S4421

>  <Name> (106)
Josamycin

>  <Synonyms> (106)
EN-141, Kitasamycin A3, Leucomycin A3, Turimycin A5

>  <Target> (106)
Anti-infection

>  <Form> (106)
Free Base

>  <CAS> (106)
16846-24-5

>  <URL> (106)
http://www.selleck.cn/products/josamycin.html

$$$$
