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Orthopoxvirus
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克拉夫定CAS号 : 163252-36-6 Compound CID : 73115分子式: C10H13FN2O5 分子量: 260.22IUPAC Name: 1-[(2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dioneSMILES: CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)FInChIKey: GBBJCSTXCAQSSJ-XQXXSGGOSA-NInChI: InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m0/s1
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1-(2-脱氧-2-氟-β-D-阿拉伯呋喃基)-5-碘尿嘧啶CAS号 : 69123-98-4分子式: C9H10FIN2O5 分子量: 372.09IUPAC Name: 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dioneSMILES: C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)F)IInChIKey: IPVFGAYTKQKGBM-BYPJNBLXSA-NInChI: InChI=1S/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1
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3′-脱氧-3′-氟胸苷CAS号 : 25526-93-6 Compound CID : 33039分子式: C10H13FN2O4 分子量: 244.22IUPAC Name: 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dioneSMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)FInChIKey: UXCAQJAQSWSNPQ-XLPZGREQSA-NInChI: InChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
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恩诺沙星CAS号 : 93106-60-6 Compound CID : 71188分子式: C19H22FN3O3 分子量: 359.39IUPAC Name: 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acidSMILES: CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)FInChIKey: SPFYMRJSYKOXGV-UHFFFAOYSA-NInChI: InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)
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恩诺沙星CAS号 : 93106-60-6 Compound CID : 71188分子式: C19H22FN3O3 分子量: 359.39IUPAC Name: 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acidSMILES: CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)FInChIKey: SPFYMRJSYKOXGV-UHFFFAOYSA-NInChI: InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)
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5-碘-2'-脱氧尿苷分子式: C9H11IN2O5 分子量: 354.1IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dioneSMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)I)CO)OInChIKey: XQFRJNBWHJMXHO-RRKCRQDMSA-NInChI: InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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艾菲地可宁CAS号 : 38966-21-1 Compound CID : 457964分子式: C20H34O4 分子量: 338.48IUPAC Name: (1S,2S,5R,6R,7R,10S,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diolSMILES: CC12CCC(C(C1CCC3C24CCC(C(C3)C4)(CO)O)(C)CO)OInChIKey: NOFOAYPPHIUXJR-APNQCZIXSA-NInChI: InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1
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左氧氟沙星CAS号 : 100986-85-4 Compound CID : 149096分子式: C18H20FN3O4 分子量: 361.37IUPAC Name: (2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acidSMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)OInChIKey: GSDSWSVVBLHKDQ-JTQLQIEISA-NInChI: InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1
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阿糖腺苷分子式: C10H13N5O4 分子量: 267.24IUPAC Name: (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolSMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)NInChIKey: OIRDTQYFTABQOQ-UHTZMRCNSA-NInChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1
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左氧氟沙星半水合物CAS号 : 138199-71-0 Compound CID : 3033924分子式: C18H20FN3O4 · 0.5H2O 分子量: 370.38IUPAC Name: (2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrateSMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.OInChIKey: SUIQUYDRLGGZOL-RCWTXCDDSA-NInChI: InChI=1S/2C18H20FN3O4.H2O/c2*1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;/h2*7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H2/t2*10-;/m00./s1
