11954236 -OEChem-04192421592D 103104 0 1 0 0 0 0 0999 V2000 1.2320 6.1317 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5675 5.0101 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.6705 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5411 7.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2783 6.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4131 4.4091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8782 4.0595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5180 5.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 8.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6170 4.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1673 2.9028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6748 6.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4565 1.7461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8315 7.8991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8137 3.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1367 8.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1855 14.3880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8554 14.8880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3195 15.8880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7214 13.3880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 8.6705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6785 8.2741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 10.1705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6785 9.8835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8663 8.0788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0002 9.5788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 11.6705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8663 11.0788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 7.6705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9230 7.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 6.1317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9677 7.1173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9892 7.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8198 5.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 9.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 9.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6355 7.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7323 8.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2569 5.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2621 9.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7323 9.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 10.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 10.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8663 10.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0002 8.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8567 3.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7243 6.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1459 2.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8810 7.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4350 1.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0377 8.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7457 0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1029 2.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9883 9.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2934 9.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4535 14.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5874 14.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3195 14.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7214 14.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2845 7.9520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 7.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3566 6.8305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8444 6.2286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5536 6.6558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3754 7.2362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9686 6.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3338 4.9759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2505 5.7686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 8.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0970 7.4476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0496 8.3231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1741 8.2757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8707 6.0479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2774 6.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8821 9.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7775 3.9075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4633 8.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 11.9805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 11.9805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3293 11.3888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4032 11.3888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4705 3.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8773 4.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6369 6.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1046 6.3198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2424 2.1292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4992 8.4635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1564 0.3967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9383 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3350 0.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5643 1.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5169 2.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6414 2.6982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1809 8.5989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5776 9.3808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7956 9.7776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7075 10.0069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8320 9.9595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8794 9.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4535 13.7680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5874 15.5080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7224 14.6980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3184 14.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 10 2 0 0 0 0 2 39 1 0 0 0 0 3 42 1 0 0 0 0 4 29 1 0 0 0 0 4 31 1 0 0 0 0 32 5 1 1 0 0 0 5 39 1 0 0 0 0 6 34 1 0 0 0 0 6 76 1 0 0 0 0 7 46 1 0 0 0 0 8 47 1 0 0 0 0 9 36 2 0 0 0 0 11 46 1 0 0 0 0 11 48 1 0 0 0 0 12 47 1 0 0 0 0 12 49 1 0 0 0 0 13 48 1 0 0 0 0 13 50 1 0 0 0 0 14 49 1 0 0 0 0 14 51 1 0 0 0 0 15 48 2 0 0 0 0 16 49 2 0 0 0 0 17 58 1 0 0 0 0 17102 1 0 0 0 0 18 59 1 0 0 0 0 18103 1 0 0 0 0 19 58 2 0 0 0 0 20 59 2 0 0 0 0 29 21 1 1 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 33 1 0 0 0 0 22 38 1 0 0 0 0 22 40 1 0 0 0 0 23 36 1 0 0 0 0 23 43 2 0 0 0 0 24 40 2 0 0 0 0 24 41 1 0 0 0 0 25 38 2 0 0 0 0 25 45 1 0 0 0 0 26 44 1 0 0 0 0 26 45 2 0 0 0 0 27 43 1 0 0 0 0 27 78 1 0 0 0 0 27 79 1 0 0 0 0 28 44 1 0 0 0 0 28 80 1 0 0 0 0 28 81 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 34 1 1 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 37 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 42 2 0 0 0 0 35 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 41 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 40 75 1 0 0 0 0 41 44 2 0 0 0 0 42 43 1 0 0 0 0 45 77 1 0 0 0 0 46 82 1 0 0 0 0 46 83 1 0 0 0 0 47 84 1 0 0 0 0 47 85 1 0 0 0 0 50 52 1 0 0 0 0 50 53 1 0 0 0 0 50 86 1 0 0 0 0 51 54 1 0 0 0 0 51 55 1 0 0 0 0 51 87 1 0 0 0 0 52 88 1 0 0 0 0 52 89 1 0 0 0 0 52 90 1 0 0 0 0 53 91 1 0 0 0 0 53 92 1 0 0 0 0 53 93 1 0 0 0 0 54 94 1 0 0 0 0 54 95 1 0 0 0 0 54 96 1 0 0 0 0 55 97 1 0 0 0 0 55 98 1 0 0 0 0 55 99 1 0 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 56100 1 0 0 0 0 57 59 1 0 0 0 0 57101 1 0 0 0 0 M END > 11954236 > 1 > 1190 > 23 > 5 > 21 > AAADcfB7/wJAAAAAAAAAAAAAAAAAAWJAAAAsQAAAAAAAAFgB+AAAHwwQCCAACBzl1weH+L9MFxioQSb3fICAgC0RELAJWCAoVFCTXABASEA/FAgIBgL3EaAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;[[(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-(isopropoxycarbonyloxymethoxy)phosphoryl]oxymethyl isopropyl carbonate;fumaric acid > 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-pyrimidinone;(E)-2-butenedioic acid;carbonic acid [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[oxo(propan-2-yloxy)methoxy]methoxy]phosphoryl]oxymethyl propan-2-yl ester > 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid > 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid > [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;4-azanyl-5-fluoranyl-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;(E)-but-2-enedioic acid > 4-amino-5-fluoro-1-[(2R,5S)-2-methylol-1,3-oxathiolan-5-yl]pyrimidin-2-one;carbonic acid [[(1R)-2-adenin-9-yl-1-methyl-ethoxy]methyl-(isopropoxycarbonyloxymethoxy)phosphoryl]oxymethyl isopropyl ester;fumaric acid > InChI=1S/C19H30N5O10P.C8H10FN3O3S.C4H4O4/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24;9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5;5-3(6)1-2-4(7)8/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);1,5-6,13H,2-3H2,(H2,10,11,14);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t14-;5-,6+;/m10./s1 > VERWQPYQDXWOGT-LVJNJWHOSA-N > 882.22667830 > C31H44FN8O17PS > 882.8 > CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OCOC(=O)OC(C)C.C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)F.C(=CC(=O)O)C(=O)O > C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C.C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F.C(=C/C(=O)O)\C(=O)O > 374 > 882.22667830 > 0 > 59 > 3 > 0 > 1 > 0 > 0 > 3 > -1 > 1 5 255 > 29 21 5 21 35 8 21 36 8 22 38 8 22 40 8 23 36 8 23 43 8 24 40 8 24 41 8 25 38 8 25 45 8 26 44 8 26 45 8 31 34 5 35 42 8 38 41 8 41 44 8 42 43 8 32 5 5 $$$$